smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=c1cc(/C=C/c2ccccc2)oc2ccccc12	207826	LSTAHPMLLDYWKN-ZHACJKMWSA-N	248.281	3.963	0	50	BHAA	biogenic
Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1	396189	UKGSUJOXVZGWLV-UHFFFAOYSA-N	246.354	3.791	0	50	BHAA	
Cc1ccc(C(C)C)c(OCCCCN(C)C)c1	2822458	BYPOQKCKEYOOLE-UHFFFAOYSA-N	249.398	3.839	0	50	BHAA	
Cc1ccc(CN(C)Cc2ccc(C)cc2)cc1	32131975	IRGIOTYYLJUOMQ-UHFFFAOYSA-N	239.362	3.935	0	50	BHAA	
CC1=CC[C@H](C(C)C)[C@H]2C(=O)C(Cl)(Cl)[C@@H]12	71786716	VJSOJHMFSWQVEW-BBBLOLIVSA-N	247.165	3.598	0	50	BHAA	
C=Cc1cccc(-c2cccc3ccnn23)c1	72148655	QGPPZROZORCZDG-UHFFFAOYSA-N	220.275	3.644	0	50	BHAA	
C=C(N=[N+]=[N-])c1ccc(Br)cc1	196323463	SNAAUGBFFVRPBH-UHFFFAOYSA-N	224.061	3.730	0	50	BHAA	
O=C1CCCC[C@H]1C1=NCCCCCCC1	254806210	MSEJRTWMABOMBB-LBPRGKRZSA-N	221.344	3.541	0	50	BHAA	
O=c1oc2ccccc2cc1-c1ccc(F)cc1	1059864	FVRBNSONGISFGN-UHFFFAOYSA-N	240.233	3.599	0	50	BHAA	
Cc1cc(C)c(Nc2nnc(C)s2)c(C)c1	6702840	YUTZSRFVEDCKHJ-UHFFFAOYSA-N	233.340	3.515	0	50	BHAA	
CCCC[C@H](CC)C(=O)N1CCCCCCC1	6725500	YFTFSDNGQXJJAO-AWEZNQCLSA-N	239.403	3.996	0	50	BHAA	
c1ccc(C2([C@H]3CCCCN3)CCCC2)cc1	96027022	SJBKNJLQLJMGTF-OAHLLOKOSA-N	229.367	3.641	0	50	BHAA	
CC(C)OC(=O)Nc1cccc2ccccc12	395083	AEOQMGVPGAAJQS-UHFFFAOYSA-N	229.279	3.797	0	50	BHAA	
COc1ccc(CCC(=O)c2ccccc2)cc1	1686438	DHGHNVPSVIFSKY-UHFFFAOYSA-N	240.302	3.511	0	50	BHAA	
Sc1nc2cc(-c3ccccc3)ccc2o1	2018030	QKLMWNVNJBXKRG-UHFFFAOYSA-N	227.288	3.784	0	50	BHAA	in-vitro
CC(=O)c1ccc(-c2ccccc2)s1	2531013	SPXBZAHGTSZQLL-UHFFFAOYSA-N	202.278	3.618	0	50	BHAA	in-vitro
Clc1cccc(/C=C/c2ccncc2)c1	5161766	HXOMWEIPKBRIHS-SNAWJCMRSA-N	215.683	3.905	0	50	BHAA	
Cc1ccc2ccc(C(F)(F)F)cc2n1	26474779	VIBTYGFMDABZCD-UHFFFAOYSA-N	211.186	3.562	0	50	BHAA	in-vitro
CS[C@@H](N=O)c1ccccc1Br	71782500	PVSNUNNHSRHUPG-MRVPVSSYSA-N	246.129	3.577	0	50	BHAA	
c1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1	250646273	LDPJOIMHSJSCFU-OVYGPGRDSA-N	241.378	3.601	0	50	BHAA	
Fc1c(Cl)ccc(OC(F)F)c1Cl	263623065	DKCGIOYVERKSLU-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
COc1ccc(CC[C@@H](C)NC2CCCC2)cc1	220622	TVXAYYFRMVHKAK-CYBMUJFWSA-N	247.382	3.549	0	50	BHAA	
Cc1cc(C)c(C(=O)Nc2ccccc2)c(C)c1	1556498	JLZPOZUKBWWZBR-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
FC(F)(F)[C@@H]1C=C1CCOCc1ccccc1	95629982	XQSBVBUNFDPUAP-GFCCVEGCSA-N	242.240	3.712	0	50	BHAA	
Nc1c(Cl)cccc1OCc1ccccc1	132677852	OZHPHAWLUHHNNV-UHFFFAOYSA-N	233.698	3.501	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2)cc1C	363128	UCAIXIMMSIJHND-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
C[C@@H](OC(=O)c1ccccc1)c1ccccc1	394282	NIHKUOHNHOWTCI-GFCCVEGCSA-N	226.275	3.605	0	50	BHAA	biogenic
c1ccc2cc([C@@H]3CCCCN3)ccc2c1	3734691	KIKVKRHNBPMOMC-HNNXBMFYSA-N	211.308	3.654	0	50	BHAA	in-vitro
CCOC(=O)Nc1ccc([C@@H](C)CC)cc1	5094186	DKWVUSOLYGNTKY-JTQLQIEISA-N	221.300	3.769	0	50	BHAA	
O=C(Cc1ccc(Cl)cc1)c1ccc(F)cc1	34406480	FKVQOVGOFBRALU-UHFFFAOYSA-N	248.684	3.905	0	50	BHAA	in-vitro
COCC[C@H](C)Nc1cccc2ccsc12	381648171	CITDRIQXMRWQIZ-JTQLQIEISA-N	235.352	3.738	0	50	BHAA	
O=C(Nc1ccccc1)Nc1cccc(Cl)c1	120475	BQVXYHYXISZSEZ-UHFFFAOYSA-N	246.697	3.984	0	50	BHAA	
O=C(Nc1ccccc1Cl)c1cccc(F)c1	362162	MNXZEIANHIYULX-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2	390826	YLDDCEXDGNXCIO-JTQLQIEISA-N	219.328	3.783	0	50	BHAA	biogenic
CC(C)OC(=O)Nc1ccc(Cl)cc1Cl	395494	ZQHCWAUOYYUWPL-UHFFFAOYSA-N	248.109	3.950	0	50	BHAA	
CCCSC(=O)Nc1ccc(C)cc1C	2167697	XIBLQFJVJYWHSK-UHFFFAOYSA-N	223.341	3.979	0	50	BHAA	
Cc1ccc(-c2cn3ccccc3n2)c(C)c1	4235033	MDHURAQRWROGIN-UHFFFAOYSA-N	222.291	3.618	0	50	BHAA	in-vitro
FC(F)(F)Oc1c(Cl)cccc1Cl	39643144	RIVHTVHBEUJLSP-UHFFFAOYSA-N	231.000	3.892	0	50	BHAA	
O=C1CCC(Cc2cccc(Cl)c2)CC1	167392557	LQURLQBUYODFSS-UHFFFAOYSA-N	222.715	3.642	0	50	BHAA	
Nc1cc(Cl)ccc1Oc1ccccc1	265036	SXEBHIMOUHBBOS-UHFFFAOYSA-N	219.671	3.715	0	50	BHAA	in-vitro
COc1ccccc1CNC1CCCCCC1	279756	UACFBBABZWCFMY-UHFFFAOYSA-N	233.355	3.508	0	50	BHAA	
CC(C)(C)NC(=O)Nc1cccc2ccccc12	405888	REHSGLABVNNHQU-UHFFFAOYSA-N	242.322	3.760	0	50	BHAA	
c1ccn2cc(-c3ccc4c(c3)CCCC4)nc2c1	2534096	FPJMWIGZUHNDRE-UHFFFAOYSA-N	248.329	3.880	0	50	BHAA	
Cc1cccc(C)c1-c1cccc(C=O)c1	33427268	SCADEVWRJSJBOM-UHFFFAOYSA-N	210.276	3.783	0	50	BHAA	in-vitro
Clc1cccc2cc(Br)ncc12	66322881	WLIFTLDGPOJNJD-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
c1c2c(nc3c1CCCCC3)CCCCC2	71774348	AEDFVSJODVSCFY-UHFFFAOYSA-N	215.340	3.619	0	50	BHAA	
Oc1ccc2occ(-c3ccc(F)cc3)c2c1	146011571	SWSXBTOSUAANFC-UHFFFAOYSA-N	228.222	3.945	0	50	BHAA	
O=C1CC(c2cccc(-c3ccccc3)c2)C1	407985927	RBJYLYIQCHXGET-UHFFFAOYSA-N	222.287	3.800	0	50	BHAA	
CCC(=O)O[C@H](CC)[C@@H](C)c1ccccc1	409770	CWWGTVBUXMFTSG-WCQYABFASA-N	220.312	3.522	0	50	BHAA	
Cc1cc(Br)cc(C(F)(F)F)c1	2382283	ZDAIYLXHTGIUGY-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
Cc1cc2ccc1CCc1ccc(cc1)CC2	3124722	PCWILLLONPHNNY-UHFFFAOYSA-N	222.331	3.879	0	50	BHAA	
CCCCNCCCCOc1cc(C)ccc1C	23550097	XTELDBIJPZIXAS-UHFFFAOYSA-N	249.398	3.852	0	50	BHAA	
Nc1cnccc1-c1cc(Cl)ccc1Cl	82328868	XWSVEDHCUKCBDI-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
CCO[C@H](C(=O)c1ccccc1)c1ccccc1	42732	KMNCBSZOIQAUFX-INIZCTEOSA-N	240.302	3.647	0	50	BHAA	in-vitro
CC(=O)c1ccc(OCc2ccc(F)cc2)cc1	132663	MQJDMMIBGFVIDR-UHFFFAOYSA-N	244.265	3.607	0	50	BHAA	
CC(C)(C1CCC(=O)CC1)C1CCC(=O)CC1	1669422	HAWVCXABNZBPED-UHFFFAOYSA-N	236.355	3.531	0	50	BHAA	
CCCCCCN[C@H](C)c1ccccc1	2027702	RGSPUCRWIKFBND-CYBMUJFWSA-N	205.345	3.918	0	50	BHAA	
Clc1ccc(-c2ccno2)cc1Cl	2578077	IKNOHHYCVNOHER-UHFFFAOYSA-N	214.051	3.648	0	50	BHAA	in-vitro
CCCCN(C)Cc1ccc(OC)c(C)c1C	23281363	MLLQSDHJVHBPSV-UHFFFAOYSA-N	235.371	3.544	0	50	BHAA	
Clc1ccc2c(Br)cccc2n1	26506748	NRBXCMIOQORNNX-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CC(=O)c1ccc(-c2c(C)cc(C)cc2C)nc1	65382485	FDOGUROYGNGLBX-UHFFFAOYSA-N	239.318	3.876	0	50	BHAA	
CNC[C@@H](CCc1ccccc1)c1ccccc1	87962273	MLYVHOUEXDMKBE-QGZVFWFLSA-N	239.362	3.622	0	50	BHAA	
CCC[C@H](O)c1ccc(-c2c(C)n[nH]c2C)cc1	426497017	PDPXETJUWMKQOQ-AWEZNQCLSA-N	244.338	3.527	0	50	BHAA	
Cc1ncccc1-c1ccc(Cl)cc1F	669380908	RVKCKXSBIJQJQY-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
c1csc(-c2cccc3ocnc23)c1	1875290153	AXUPONFYEIPXTE-UHFFFAOYSA-N	201.250	3.556	0	50	BHAA	
CCN(CC)CCOc1cc(C)ccc1C(C)C	2125	NWMFJTRBFZCTSP-UHFFFAOYSA-N	249.398	3.839	0	50	BHAA	
CCOc1cc(N)ccc1C1CCCCC1	446026	UPLZCMHDJCGHSI-UHFFFAOYSA-N	219.328	3.715	0	50	BHAA	
Cc1ccc([C@@H](C)NC(=O)c2ccsc2)cc1	16648254	QKALFRRWXZJMEM-LLVKDONJSA-N	245.347	3.548	0	50	BHAA	
CSc1ccccc1-c1ccc(O)cc1	65339992	RNTPTVOHSCYDPA-UHFFFAOYSA-N	216.305	3.781	0	50	BHAA	
CCCCC[C@@H](/C=C/c1ccccc1)OC=O	83316670	PULNKJHBRAQWEJ-RUMSDORHSA-N	232.323	3.822	0	50	BHAA	
CC[Sn](CC)(CC)CC	169743094	RWWNQEOPUOCKGR-UHFFFAOYSA-N	234.959	3.515	0	50	BHAA	
C[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1	361	JALUUBQFLPUJMY-NSHDSACASA-N	226.275	3.542	0	50	BHAA	in-vivo
COc1ccc(C(=O)c2cccc(Cl)c2)cc1	2242941	QUFDKCFTORNAAH-UHFFFAOYSA-N	246.693	3.580	0	50	BHAA	in-vitro
CCC1CCC(NCc2ccc(OC)cc2)CC1	4986135	UIZOCCPJRKFBDZ-UHFFFAOYSA-N	247.382	3.754	0	50	BHAA	
CC[C@H](NC(C)=O)c1ccc([C@H](C)CC)cc1	6731674	CUHCGYSGMKMDLI-ABAIWWIYSA-N	233.355	3.787	0	50	BHAA	
Cc1cc(-c2ccc(C(=O)O)c(F)c2)ccc1F	38068204	BAIDWRMRVGPTLP-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
Fc1cc(F)c(Cl)c(Br)c1F	65356451	MZLSCHCDTSLIOX-UHFFFAOYSA-N	245.425	3.520	0	50	BHAA	
O=C1CC[C@@H](c2ccccc2)c2ccccc21	1241237	YQUCNHUJKOVKNR-ZDUSSCGKSA-N	222.287	3.795	0	50	BHAA	biogenic,in-vitro
CCCC[C@H](CC)CNC(=O)Cc1ccccc1	2774360	QBPUOUIZPYGRRQ-AWEZNQCLSA-N	247.382	3.562	0	50	BHAA	
CCCCC(=O)Nc1cccc2nc(C)ccc12	4869387	MIWFCZHDIIXBLP-UHFFFAOYSA-N	242.322	3.672	0	50	BHAA	
Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)o1	12274779	AIBPIQKCZAIVMJ-UHFFFAOYSA-N	240.262	3.613	0	50	BHAA	
CCc1ccc(C(F)(F)C(F)(F)F)cc1	91675953	QGVKCSXJGQWSCA-UHFFFAOYSA-N	224.172	3.903	0	50	BHAA	
CO[C@H](C)c1ccc(-c2c[nH]nc2C2CC2)cc1	426628199	JHJAWUAIRGEPGJ-SNVBAGLBSA-N	242.322	3.662	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1)c1cccs1	139401	WLTROZHZCWIOKG-UHFFFAOYSA-N	237.711	3.654	0	50	BHAA	
CC(C)Cc1ccc([C@@H](C)C(=O)NC(C)C)cc1	185539	IVAMFXSKBHJYMQ-CYBMUJFWSA-N	247.382	3.513	0	50	BHAA	
S=C(CCC1CCCC1)N1CCCCC1	2391910	VMOWLPOYMYAFRS-UHFFFAOYSA-N	225.401	3.770	0	50	BHAA	in-vitro
CC(C)(c1ccccc1)[C@@H]1CCCC[C@H]1O	2577480	CTYOSJAXQPHWCK-ZIAGYGMSSA-N	218.340	3.515	0	50	BHAA	
Cc1ccc(F)cc1NC(=O)c1ccccc1F	3566338	MCNVMMKIJRKDOH-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Fc1ccc(NC/C=C/c2ccco2)cc1F	4989360	HBCJNXICQURMPE-HNQUOIGGSA-N	235.233	3.683	0	50	BHAA	
Brc1cccc(-c2ccccn2)c1	16697348	WLPFTJXVEBANAM-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
O=C1C[C@H](c2ccc(F)cc2)Nc2ccccc21	59268658	HQCCOFMBOJBRQY-CQSZACIVSA-N	241.265	3.565	0	50	BHAA	
CCS[C@H]1CC(=O)CC[C@H]1C(C)(C)C	725362246	RAIZYDGTIYMDSU-MNOVXSKESA-N	214.374	3.523	0	50	BHAA	
Cc1ccc(NC(=O)CC2CCCCC2)cc1	451510	OTMUDBOKPBFTRR-UHFFFAOYSA-N	231.339	3.904	0	50	BHAA	
CCCSc1ncnc2sc(C)c(C)c12	1778597	XAJFMVSCXOXHEX-UHFFFAOYSA-N	238.381	3.810	0	50	BHAA	
CCCCC(=S)Nc1cccc(C(C)=O)c1	5308295	LWWAHNRIEUECAI-UHFFFAOYSA-N	235.352	3.819	0	50	BHAA	
CC[C@H](NC(=O)C1CCCCC1)c1ccccc1	6725388	ODMSVQKUBVDAQL-HNNXBMFYSA-N	245.366	3.834	0	50	BHAA	
Nc1c(Cl)cc(Cl)c2ccccc12	34143978	OZFIRPDNZCDFMO-UHFFFAOYSA-N	212.079	3.729	0	50	BHAA	in-vitro
CC1=CCN(C23CC4CC(CC(C4)C2)C3)CC1	65336778	NIJQGPSAFZQYFU-UHFFFAOYSA-N	231.383	3.607	0	50	BHAA	
Nc1cccc(-c2cc(F)cc(Cl)c2)c1	95495633	DRBPFPMNKUDJSJ-UHFFFAOYSA-N	221.662	3.728	0	50	BHAA	
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1O	284222	NMJMUSGKTCPFOK-UHFFFAOYSA-N	222.328	3.693	0	50	BHAA	
CC[C@H](C)c1ccc(NC(=O)NC(C)C)cc1	6698444	HZPBFNJLQUWFKA-NSHDSACASA-N	234.343	3.730	0	50	BHAA	
Clc1ccccc1-c1ccc(CNC2CC2)o1	6742988	GHJVUDAFIUFMGG-UHFFFAOYSA-N	247.725	3.852	0	50	BHAA	
CCCCSc1nc2ccccc2o1	6853827	GRCMYEUFSROLNB-UHFFFAOYSA-N	207.298	3.720	0	50	BHAA	
c1coc(-c2nc3c(ccc4ccccc43)[nH]2)c1	15768796	STUUQMWOZSPOHW-UHFFFAOYSA-N	234.258	3.976	0	50	BHAA	
Cc1ccc(C)c(NC(=O)CC2CCCC2)c1	17154640	DTMZPMQJAYZIGL-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
O=C(O)c1cc(-c2cccs2)ccc1Cl	21950840	QYSJERLNZVWQRB-UHFFFAOYSA-N	238.695	3.767	0	50	BHAA	in-vitro
C[Si](C)(C)[C@]12C[C@@H]3c4ccccc4[C@H]1[C@@H]32	169828722	RAVBWLMGHFXDGK-XJFOESAGSA-N	214.384	3.980	0	50	BHAA	
CC(C)COc1cccc(Br)c1F	261494171	RJTXKLUTPUMOEZ-UHFFFAOYSA-N	247.107	3.623	0	50	BHAA	
Cc1ccc(C)c(C(=O)N2[C@H](C)CCC[C@H]2C)c1	514822	ANWCQZXNIMBISV-ZIAGYGMSSA-N	245.366	3.707	0	50	BHAA	
O=C(CCC1CCCCC1)Nc1ccc(O)cc1	527767	CALMPXAKFKPMSS-UHFFFAOYSA-N	247.338	3.691	0	50	BHAA	
CCN(CC)CCCOc1cc(C)cc(C)c1C	2494268	CJQJWSHJZQKOBC-UHFFFAOYSA-N	249.398	3.723	0	50	BHAA	
CC[C@H](C)NCCOc1cc(C)cc(C(C)C)c1	2823667	GKXFLDGFEBQJNO-AWEZNQCLSA-N	249.398	3.885	0	50	BHAA	
CCOC(=O)c1cc2cc([C@H](C)CC)ccc2[nH]1	4235015	NSGRRZKPXZQHGD-SNVBAGLBSA-N	245.322	3.858	0	50	BHAA	
CCN(CC)CCOc1ccccc1C(C)C	5024191	QYNAQVKPPHBYBT-UHFFFAOYSA-N	235.371	3.531	0	50	BHAA	
c1ccc(CNCc2cccc3ccccc23)nc1	5069179	XMKBUKDUNXZFHE-UHFFFAOYSA-N	248.329	3.525	0	50	BHAA	
Cc1ccc(NC(=O)c2ccoc2C)cc1Cl	6278474	YJYHCPCASOZCCP-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
OCc1ccc(Sc2ccc(Cl)cc2)o1	8727790	CFPNHBZEGDWJNG-UHFFFAOYSA-N	240.711	3.577	0	50	BHAA	
Fc1ccc2cc(Cl)nc(Cl)c2c1	16159490	RPCBWABYLPCEQX-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	in-vitro
O=Cc1sc2cccc(F)c2c1Cl	115667936	DMEDPDOTVXSPMI-UHFFFAOYSA-N	214.648	3.506	0	50	BHAA	
Cc1cc(Cl)cc2c(C=O)cn(C(C)C)c12	140775017	MRUZCKAZDXUCAQ-UHFFFAOYSA-N	235.714	3.997	0	50	BHAA	
Cc1ccccc1NC(=O)c1c(F)cccc1F	45869	FVSDXDGGKUMCGD-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC1=[N+](C)c2ccc3ccccc3c2C1(C)C	1496655	FZBNRFHFAZCQNK-UHFFFAOYSA-N	224.327	3.866	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc(Cl)s1	35904906	SLZLJXFJTIAWMB-UHFFFAOYSA-N	233.720	3.749	0	50	BHAA	
O=Cc1ccc(-c2c(F)cccc2Cl)cc1	309160326	HLMABGRKYITCOQ-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	
c1ccc(-c2ncc(-c3cccnc3)s2)cc1	1875339481	LKTUDKGCBICCMF-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
COc1ccc(Oc2ccc(C(C)=O)cc2)cc1	142992	ICXPZMQQZWKKMN-UHFFFAOYSA-N	242.274	3.690	0	50	BHAA	in-vitro
CC(=O)Nc1ccc(Cl)c(Cl)c1Cl	394892	LOQQPVJIFHAQCW-UHFFFAOYSA-N	238.501	3.605	0	50	BHAA	
Clc1cnc2cc(Br)ccc2c1	69476404	IRHYJYLFQWBXBB-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CC1=C[C@H](C)[C@H]2CO[C@H](c3cccnc3)[C@H]1[C@H]2C	248329938	DYAZCFMRGIURJU-QAQUCLOOSA-N	243.350	3.617	0	50	BHAA	
C1=C[C@@H]2C=C(c3ccccc3)[C@@H]3C=C[C@H]1[C@H]23	253588884	XRSSQIQMXCVBAC-KNCOVGOOSA-N	206.288	3.688	0	50	BHAA	
CCC(=O)c1ccc(Cl)c(Cl)c1	157334	FKGDMSJKLIQBQS-UHFFFAOYSA-N	203.068	3.586	0	50	BHAA	in-vitro
Sc1cc(Cl)c(Cl)cc1Cl	394829	JARIALSGFXECCH-UHFFFAOYSA-N	213.516	3.936	0	50	BHAA	in-vitro
CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1	5857369	HXTFUVWJFLDLJP-GFCCVEGCSA-N	234.339	3.552	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)N2CCCC[C@@H]2C)c1C	6731684	UOCASXHCOUIDAS-LBPRGKRZSA-N	246.354	3.710	0	50	BHAA	
O=Cc1ccc(Oc2ccc(F)c(F)c2)cc1	16697857	XVYWAQAFWQZGBI-UHFFFAOYSA-N	234.201	3.570	0	50	BHAA	
O=C1Nc2ccc(Cl)cc2Nc2ccccc21	71774239	GBYOLOVLJOLLLR-UHFFFAOYSA-N	244.681	3.649	0	50	BHAA	
CCCc1sc(N)nc1-c1ccc(C)cc1C	19093895	ITZPJCKQQIWKIH-UHFFFAOYSA-N	246.379	3.962	0	50	BHAA	
COc1cccc2c(Cl)nc(Cl)cc12	115840614	DHWYGSPWPQXKME-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	
O=C(O)c1cccc(-c2ccccc2Cl)c1	2574062	XGEMSZNXYHULJU-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Fc1ccccc1CN1CCCCCCC1	4990204	RGYNTNDQIXAVSJ-UHFFFAOYSA-N	221.319	3.592	0	50	BHAA	
Cc1ccc2ccc(Br)c(C)c2n1	36075670	AQDJLDMULIKQQR-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	in-vitro
CCc1cc(C)cc(CC)c1Br	59796806	QWIITRRSNVBPDK-UHFFFAOYSA-N	227.145	3.882	0	50	BHAA	in-vitro
Fc1cc(Cl)c(S)cc1Br	71792201	DUFURFVXWGCCDG-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
Cc1ccc([C@@H](C)NC(=O)C(C)(C)C)cc1C	72115679	LWXHWISKELSEJB-GFCCVEGCSA-N	233.355	3.527	0	50	BHAA	
CC1=C[C@H](C)[C@H]([C@H]2OCCC(C)(C)O2)[C@@H](C)C1	239439004	ZHVHUBJXGPXMRZ-XUXIUFHCSA-N	238.371	3.766	0	50	BHAA	
Brc1ccc2sccc2c1	159026	RDSIMGKJEYNNLF-UHFFFAOYSA-N	213.099	3.664	0	50	BHAA	in-vitro
Cc1c(Cl)ccc2c(Cl)ccnc12	2583875	RQZPQJSDRNYOBI-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
CC(C)c1cc(CN(C)C)cc(C(C)C)c1O	4759246	DEYFSRVIHDNQHT-UHFFFAOYSA-N	235.371	3.701	0	50	BHAA	in-vitro
Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C	6725660	LUDSGWSRADYFNT-JSGCOSHPSA-N	246.354	3.695	0	50	BHAA	
CCCc1ccc(C(=O)Nc2ccccc2)cc1	13326400	SITLMIRYGCOMHM-UHFFFAOYSA-N	239.318	3.891	0	50	BHAA	
CC[C@H](C)N[C@@H](c1ccccc1)c1nccs1	123256139	IDMAVXXRWCOFBM-AAEUAGOBSA-N	246.379	3.621	0	50	BHAA	
C[C@@H]1OCC[C@H]1SCc1sccc1Cl	225795079	NIERQKIPPHOPKM-IONNQARKSA-N	248.800	3.812	0	50	BHAA	
Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl	225408	STOSPPMGXZPHKP-UHFFFAOYSA-N	247.892	3.711	0	50	BHAA	biogenic,in-vitro
C[C@H]1CSC(Nc2cccc3ccccc23)=N1	438124	FHUXJTBOEVJJIA-JTQLQIEISA-N	242.347	3.743	0	50	BHAA	
CCc1nc(SC)c2oc3ccccc3c2n1	5576714	RFXJMPPUCIPPEG-UHFFFAOYSA-N	244.319	3.660	0	50	BHAA	
Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C)c(C)c1	6725355	RLLWSXATGIKLCE-AWEZNQCLSA-N	245.366	3.626	0	50	BHAA	
Brc1cccc(-c2cccnc2)c1	39408612	JHUIVUBQMBPYJE-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
FC(F)c1cc2ccccc2nc1Cl	73641053	HDIMNLCODJNJNI-UHFFFAOYSA-N	213.614	3.826	0	50	BHAA	
CC(C)OCc1cc(F)cc(Br)c1	86694931	VKKKPTHOWZKEIA-UHFFFAOYSA-N	247.107	3.513	0	50	BHAA	
CSC[C@H](C)N[C@H](C)C[C@@H]1C[C@H]2CC[C@H]1C2	225566054	YCDSSBKVVZRUTC-IKOXMDCHSA-N	241.444	3.542	0	50	BHAA	
O=Cc1cc(-c2cc(F)ccc2F)cs1	675069644	JQYHZGXMWTXIHW-UHFFFAOYSA-N	224.231	3.506	0	50	BHAA	
O=Cc1ccccc1Sc1ccccc1F	332501	ONMNPVQTDPLLBI-UHFFFAOYSA-N	232.279	3.789	0	50	BHAA	
CC(=O)c1ccc(SC(F)(F)F)cc1	2560223	TXNFKHHYTGEPRL-UHFFFAOYSA-N	220.215	3.501	0	50	BHAA	in-vitro
C[C@@H](c1ccccc1)[C@](C)(O)c1ccccc1	3136772	NCIAKSBPWVOMFR-BBRMVZONSA-N	226.319	3.698	0	50	BHAA	
Cc1cc(Cl)c2[nH]c3c(c2c1)CCCC3=O	15724229	KCWBDNIAOCRLBR-UHFFFAOYSA-N	233.698	3.649	0	50	BHAA	
Cc1ccc([C@H](C)NC(=O)c2ccsc2)cc1	16648256	QKALFRRWXZJMEM-NSHDSACASA-N	245.347	3.548	0	50	BHAA	
Fc1cc(OC(F)F)c(Cl)cc1Cl	263625192	XPCPMEAYNKFVFF-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1ccc(/C=C/Br)c(C)c1	584609720	XJUXMKBPSJZIFF-AATRIKPKSA-N	211.102	3.669	0	50	BHAA	
CCc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1	6730115	MCHZHPCOKDKRMX-GFCCVEGCSA-N	245.366	3.616	0	50	BHAA	
FC(F)(F)C(Cl)(Cl)C(F)(F)Cl	63148533	SFCFZNZZFJRHSD-UHFFFAOYSA-N	237.382	3.554	0	50	BHAA	in-vitro
O=C(Nc1cccc(F)c1)OCc1ccccc1	472259	LHLKGCMCFFJNCS-UHFFFAOYSA-N	245.253	3.574	0	50	BHAA	in-vitro
CCCC[C@@H](CC)CN1CCC(C)CC1	15442224	LWQVKFGCSLQYIL-CQSZACIVSA-N	211.393	3.935	0	50	BHAA	
Nc1ccccc1-c1ccc(Br)cc1	26522624	UTCNKGRSWYBETH-UHFFFAOYSA-N	248.123	3.698	0	50	BHAA	
CCc1cc2c(Cl)nc(Cl)nc2s1	40450098	WILLJMUZTUFCPD-UHFFFAOYSA-N	233.123	3.561	0	50	BHAA	
FC(F)(F)c1cccc(Oc2ccncc2)c1	71773174	BYHMLLCUYLLGHW-UHFFFAOYSA-N	239.196	3.893	0	50	BHAA	
CC(C)(C)c1cc(N)cc(C(C)(C)C)c1	1841282	MJKNHXCPGXUEDO-UHFFFAOYSA-N	205.345	3.864	0	50	BHAA	in-vitro
Cc1csc2ccc(Br)cc12	2548706	YSYLNZAFOPVZLP-UHFFFAOYSA-N	227.126	3.972	0	50	BHAA	in-vitro
C/C=C/C=C/C(=O)Nc1cccc2ccccc12	3085994	OXPHENCTALJHEA-TWKNZMHGSA-N	237.302	3.911	0	50	BHAA	
CC(=C/C(=O)O)/C=C/c1cccc2ccccc12	228004	AKKGCFXWQWYOJF-PVHUKWJHSA-N	238.286	3.884	0	50	BHAA	
CC1(C)CC[C@@]2(C)CC[C@](C)(O)C[C@@H]2C1	5231411	QUCPCNJRVITJTP-UBHSHLNASA-N	210.361	3.754	0	50	BHAA	
O=Cc1c(C(F)(F)F)ccc(Cl)c1Cl	12359299	QCYGNWQELPOXBL-UHFFFAOYSA-N	243.011	3.825	0	50	BHAA	in-vitro
CC1=C[C@H](C)CN(C23CC4CC(CC(C4)C2)C3)C1	65336782	DCNOQQYZSSDGSB-NICGVCSZSA-N	245.410	3.853	0	50	BHAA	
Oc1cccc(-c2ccc(F)c3occc23)c1	1875341767	HBZNKBPEYASVOZ-UHFFFAOYSA-N	228.222	3.945	0	50	BHAA	
CC(C)(C)NC(=O)Nc1ccc2ccccc2c1	98734	KOMVYRIUADNJLL-UHFFFAOYSA-N	242.322	3.760	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N(C(C)C)C(C)C)c1	397110	CFBCRCJLDXIQHA-UHFFFAOYSA-N	248.370	3.954	0	50	BHAA	
CC1CCC(C(=O)N[C@H](C)c2ccccc2)CC1	462722	NGXIVBILMHZPHX-JVWICGRDSA-N	245.366	3.690	0	50	BHAA	
C[C@@H](C(=O)NC1CCCCCC1)c1ccccc1	163570254	DGFFETGLXOHDPE-CYBMUJFWSA-N	245.366	3.629	0	50	BHAA	
Cc1ccc(C)c(NC(=O)CC(C)(C)C)c1	30684	BGAHMDYYPSUYSW-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
Nc1nc(-c2ccc(Cl)cc2Cl)cs1	87972	APJACVDBTHESJL-UHFFFAOYSA-N	245.134	3.699	0	50	BHAA	in-vitro
Cc1cccc(-c2nc(-c3ccccc3)no2)c1	471547	DAUYEEDADHUVRJ-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1C	513671	BYOQUXZLCBKLMQ-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
c1cc2c[nH]nc2cc1NC1CCCCCC1	4210810	FQVOTPQJHZEYQL-UHFFFAOYSA-N	229.327	3.698	0	50	BHAA	
CCCCNCc1ccc(-c2ccccc2F)o1	4843211	CIKOEUFAUPTGGX-UHFFFAOYSA-N	247.313	3.975	0	50	BHAA	
CCc1oc(-c2ccccc2)c(C)c1C(=O)O	958527866	HFGBAZWVUATESE-UHFFFAOYSA-N	230.263	3.516	0	50	BHAA	
Clc1cccc2c1CN(c1ccccc1)C2	1857777689	BRSIKZHMJLCRRT-UHFFFAOYSA-N	229.710	3.860	0	50	BHAA	
CC(=O)c1cc(-c2ocnc2CC2CC2)cs1	2356147429	WEBNZBNGCXJCEU-UHFFFAOYSA-N	247.319	3.558	0	50	BHAA	
CCCC(=O)Nc1cccc2ccccc12	492002	IRLQJPAKTNBBES-UHFFFAOYSA-N	213.280	3.578	0	50	BHAA	
Cc1c(Cl)cc(Cl)c(N)c1Cl	1706202	ZPDXEMXEUWPXSP-UHFFFAOYSA-N	210.491	3.537	0	50	BHAA	
FC(F)(F)c1cc(S)ccc1Cl	4205074	VSZQSTUDNPQHCA-UHFFFAOYSA-N	212.623	3.648	0	50	BHAA	in-vitro
Cn1c(C2CCCCC2)nc2ccccc21	6677868	CPSWFAFTCAVDJH-UHFFFAOYSA-N	214.312	3.621	0	50	BHAA	
CCc1cc(C(=O)O)c2c(c1)[C@H](C)CC(C)(C)N2	9264537	LFLSXUKCWKQWAB-SECBINFHSA-N	247.338	3.645	0	50	BHAA	
Cc1ccc(F)c(-c2ccc(C(=O)O)c(F)c2)c1	38068139	HVZMZAJJKTZEDS-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
COc1c(C)cc(-c2ccnn2C(C)C)cc1C	426518874	YUHKOFIRFHNLTG-UHFFFAOYSA-N	244.338	3.756	0	50	BHAA	
CC(C)S[C@@H]1CC(=O)CC[C@@H]1C(C)C	725360572	IPTOHXORLWWBPE-VXGBXAGGSA-N	214.374	3.522	0	50	BHAA	
Cc1ccc(NC(=O)Oc2ccccc2)cc1	397220	MHOIYWVYRBQPJS-UHFFFAOYSA-N	227.263	3.606	0	50	BHAA	
CCC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	441436	FFDYIBFVDLYMJA-GFCCVEGCSA-N	247.382	3.903	0	50	BHAA	
CCCCCCC(=O)c1ccc(O)c(C)c1O	4529801	GZUJQZCQIPJSKY-UHFFFAOYSA-N	236.311	3.559	0	50	BHAA	
CCCCCC(=O)NCc1ccc(Cl)cc1	5459425	FGHCZRALODBTOD-UHFFFAOYSA-N	239.746	3.537	0	50	BHAA	
CC(C)(C)c1ccc([C@H]2CCCCN2)cc1	12404534	BVZADSBIWVFXJB-CQSZACIVSA-N	217.356	3.799	0	50	BHAA	in-vitro
Oc1cccc(-c2ccccc2Cl)c1	16946971	YQFPFQICZVMDML-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	
CCOc1ccc2nc(Cl)c(C)cc2c1	20271032	DLRPVFUNQNZOAX-UHFFFAOYSA-N	221.687	3.595	0	50	BHAA	in-vitro
Cc1cc(F)cc(Br)c1Cl	63339591	WVPIMQSHAFMKIB-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
CCOc1ncccc1-c1cnc(C(C)C)s1	96151918	DMQHWJZCKQAUEG-UHFFFAOYSA-N	248.351	3.727	0	50	BHAA	
Cc1cc(NCCCC2CCCCC2)ncn1	170624658	LDKIVTILEXQVEH-UHFFFAOYSA-N	233.359	3.557	0	50	BHAA	
Clc1ccccc1-c1cn2ccccc2n1	433058	PDXXWIMKXSGJMY-UHFFFAOYSA-N	228.682	3.655	0	50	BHAA	
CCN(CC)CCCCCOc1cccc(C)c1	2842614	WBFCZXOZORARPJ-UHFFFAOYSA-N	249.398	3.886	0	50	BHAA	
CCCc1ccc([C@@H](O)c2ccccc2)cc1	35287572	OZONENRHOGHZJC-INIZCTEOSA-N	226.319	3.721	0	50	BHAA	in-vitro
C1CCCC(NCCCOC2CCCC2)CC1	127311598	FGZSBWDXHGDESJ-UHFFFAOYSA-N	239.403	3.648	0	50	BHAA	
CC(C)n1cc(C=O)c2cccc(Cl)c21	222927655	MCUZVXIOEZOAAE-UHFFFAOYSA-N	221.687	3.688	0	50	BHAA	
Fc1ccc(Br)c(C(F)F)c1F	263625278	YHQBQOLAVSJRRH-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
CC[C@H](C)N(CC)Cc1cc(O)ccc1Cl	1620414004	NHKYLOBLDCZRDI-JTQLQIEISA-N	241.762	3.666	0	50	BHAA	
CC[C@H](C)NC(=O)N[C@H](CC)c1ccc(C)cc1	13745312	AKERBRRKMUOBDQ-GXTWGEPZSA-N	248.370	3.544	0	50	BHAA	
COc1ccc([C@@H](C)Nc2ccc(C)nc2)cc1	154260389	OZIWIOLTDFMMKM-GFCCVEGCSA-N	242.322	3.572	0	50	BHAA	
CN(C(=O)OC(C)(C)C)c1cccc(Cl)c1	231513370	NWSGLJQGULVMSU-UHFFFAOYSA-N	241.718	3.711	0	50	BHAA	
CC(=O)OCc1ccc(-c2cccc(C)c2)cc1	263616052	GRVQCSVSGFUYKC-UHFFFAOYSA-N	240.302	3.725	0	50	BHAA	
CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2	575473286	RLINDJFWJYDEJM-SNVBAGLBSA-N	231.339	3.895	0	50	BHAA	
Fc1cccc(F)c1-c1nccn1C1CCC1	1875248811	POBUADOZIRHEQT-UHFFFAOYSA-N	234.249	3.553	0	50	BHAA	
CCn1c2ccc(C)cc2c2nc(C)sc21	539957	ZSFNXPNBOWJZLN-UHFFFAOYSA-N	230.336	3.888	0	50	BHAA	
O=C(CNc1ccccc1)c1ccc(Cl)cc1	1164094	HNZBSSAMVSJMOQ-UHFFFAOYSA-N	245.709	3.635	0	50	BHAA	
CCCCC[C@H](C)NC(=O)NC1CCCCC1	5465022	DOHSYLIAVBYZPU-LBPRGKRZSA-N	240.391	3.587	0	50	BHAA	
CS/C(=C1\C=Nc2ccccc21)N1CCCC1	526066660	QTUATLRSXUHFMG-WYMLVPIESA-N	244.363	3.530	0	50	BHAA	
Cc1cccc(OC(=O)c2cccs2)c1C	363539	NTBIZWXDPFSMLB-UHFFFAOYSA-N	232.304	3.584	0	50	BHAA	
Nc1ccccc1Oc1ccc(Cl)cc1	1841032	QKKBREBZMUFUDS-UHFFFAOYSA-N	219.671	3.715	0	50	BHAA	in-vitro
COc1ccc(CNCCC2=CCCCC2)cc1	2132386	XFIYFOQIPWAJAD-UHFFFAOYSA-N	245.366	3.675	0	50	BHAA	in-vitro
CC(=O)N(c1ccccc1)c1ccccc1C	2529352	NBJFNSFMWYJVCN-UHFFFAOYSA-N	225.291	3.680	0	50	BHAA	
CCCCN[C@H](c1ccccc1)c1ccncc1	2981424	FRTGFTDPOVXTHJ-MRXNPFEDSA-N	240.350	3.561	0	50	BHAA	
CSc1ccc([C@H](O)c2cccc(F)c2)cc1	4255975	GDUKTRLMPKAIHC-AWEZNQCLSA-N	248.322	3.629	0	50	BHAA	
O=C(Oc1ccccc1)c1ccc(Cl)cc1	4921589	XXXJKBSLNRMHLH-UHFFFAOYSA-N	232.666	3.559	0	50	BHAA	
CCc1ccccc1-[n+]1c(C)cc(C)c(C)c1C	5674508	UKDCPKMHGQLYLI-UHFFFAOYSA-N	240.370	3.759	0	50	BHAA	
Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C	6725659	LUDSGWSRADYFNT-GXTWGEPZSA-N	246.354	3.695	0	50	BHAA	
Cc1coc(C)c1C(=O)Nc1cccc(Cl)c1	9764045	OKCSNGKMZWTDTD-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
OCc1cc2cc(/C=C/c3ccccc3)ccc2[nH]1	67868095	LTWVUYAQYJLMLD-VOTSOKGWSA-N	249.313	3.831	0	50	BHAA	
CC1=C[C@@H]2[C@H](CC1)[C@@H](C)CC[C@]2(O)C(C)C	231128209	MUROKQYXIPVTGD-YJNKXOJESA-N	222.372	3.776	0	50	BHAA	biogenic
CC[C@@H](C)NCCOc1ccc(C(C)C)c(C)c1	2822907	OYPJURPLTGCCRM-CQSZACIVSA-N	249.398	3.885	0	50	BHAA	
CCCCC(=O)N(CC)c1ccccc1C	2851298	RQGHNSCWISLWGQ-UHFFFAOYSA-N	219.328	3.538	0	50	BHAA	
Brc1ccc(-c2ccco2)cc1	12370209	FBIKSVALROQWIY-UHFFFAOYSA-N	223.069	3.709	0	50	BHAA	in-vitro
CCNc1ccc(Oc2ccccc2)cc1	19737693	SKNFEKIHODSONX-UHFFFAOYSA-N	213.280	3.911	0	50	BHAA	
CC(C)n1cc(C=O)c2cccc(C3CC3)c21	140778422	GTKIAAMYZAZUPN-UHFFFAOYSA-N	227.307	3.912	0	50	BHAA	
Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1	29222	KQSKHOJXLMYJKH-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1c(N)cccc1-c1nc2ccccc2s1	122945	BJDZJFVKBZFUDI-UHFFFAOYSA-N	240.331	3.854	0	50	BHAA	
CC(=O)c1ccc(OCc2ccccc2F)cc1	4342706	IQSMXHGDCPRCDD-UHFFFAOYSA-N	244.265	3.607	0	50	BHAA	
C[C@@H]1CC[C@H](c2cn(C)c3ccccc23)C(=O)C1	4709847	HETUGDMZJTWSEZ-DGCLKSJQSA-N	241.334	3.651	0	50	BHAA	
Fc1cc(Br)c(S)cc1Cl	67796571	MUJFZOXAMLHQSA-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
Cc1nc2cc(F)ccc2n1C1CCCCC1	85477301	PYXVFVWAZSKRGR-UHFFFAOYSA-N	232.302	3.989	0	50	BHAA	in-vitro
CCCCCC(OC(C)C)OC(C)C	149882857	PRCZMQMZVNJQPZ-UHFFFAOYSA-N	202.338	3.743	0	50	BHAA	
COCn1c2ccccc2c2cc(C)ccc21	2875129	RKXDLDMIUHZYOG-UHFFFAOYSA-N	225.291	3.707	0	50	BHAA	
CC[C@H](c1ccccc1)[C@H]1CCCCCN1	3734976	QOWDVQDTBKFJGC-HUUCEWRRSA-N	217.356	3.712	0	50	BHAA	in-vitro
Cc1ccc(-c2ccccc2F)cc1F	112733490	XTPOBZYGJBWPCA-UHFFFAOYSA-N	204.219	3.940	0	50	BHAA	
Nc1nc(-c2ccccc2)c(-c2ccccc2)o1	545662	WRXUDNPJNMUPKL-UHFFFAOYSA-N	236.274	3.591	0	50	BHAA	in-vitro
Cc1ccc(C)c(OCCCCNC(C)(C)C)c1	2899277	MVFJMPWSOUWLOW-UHFFFAOYSA-N	249.398	3.851	0	50	BHAA	
Clc1ccc(Br)c2cnccc12	19721527	KIXRVDCXURGJAK-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Clc1ccc2scc(Br)c2n1	91302160	QGZAMJYHCIHPCU-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
C[C@@H]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C	170622384	GOUVYWSJTHVZQD-UMVBOHGHSA-N	249.398	3.818	0	50	BHAA	
CCCN(CCC)C(=O)Nc1ccc(C)cc1	396204	WLNZUSFWBXWLDB-UHFFFAOYSA-N	234.343	3.649	0	50	BHAA	
CO[C@@H](C)OCC[C@H](C)CCC=C(C)C	2166739	YSABATHBMSLQLP-CHWSQXEVSA-N	214.349	3.768	0	50	BHAA	
CCc1ccc2oc(-c3cccc(N)c3)nc2c1	154721	CPAMZMMYEPRNLO-UHFFFAOYSA-N	238.290	3.639	0	50	BHAA	
Nc1ccccc1Nc1ccc(Cl)cc1	389512	WEUBIWJPIRTWDF-UHFFFAOYSA-N	218.687	3.666	0	50	BHAA	
CNc1ccccc1-n1ccc(-c2ccccc2)n1	434574	LZKRGOLPUZCCOQ-UHFFFAOYSA-N	249.317	3.581	0	50	BHAA	
CCn1c2ccc(F)cc2c2nc(C)sc21	534594	NTRISUKBQJQWLY-UHFFFAOYSA-N	234.299	3.718	0	50	BHAA	
Cc1ccc(-c2nc3ccccc3o2)cc1	1845630	UTMZWCTVPHAOJZ-UHFFFAOYSA-N	209.248	3.803	0	50	BHAA	in-vitro
CN[C@@H](C)CC(c1ccccc1)c1ccccc1	6020409	BYWYKUFIAOQZIV-AWEZNQCLSA-N	239.362	3.817	0	50	BHAA	
CCC(=O)Nc1ccccc1-c1ccccc1	458081	YLZZYWUZESGHDV-UHFFFAOYSA-N	225.291	3.702	0	50	BHAA	
CCc1ccccc1NC(=O)N1CCCCCC1	6741765	NVNMQHKNEMEPFF-UHFFFAOYSA-N	246.354	3.657	0	50	BHAA	
CCOc1ccc2[nH]c(C)cc(=S)c2c1	6870552	DEVLMOSWBBCREZ-UHFFFAOYSA-N	219.309	3.605	0	50	BHAA	
CC(C)c1nccn1CCC1=CCCCC1	67756657	NNPKNPJQOIQOMU-UHFFFAOYSA-N	218.344	3.897	0	50	BHAA	
O=Cc1cccc(-c2c(F)cccc2Cl)c1	309159940	GWMYESUTDAKWHQ-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	
Cc1ccc(-c2cccc(CN3CC[C@H]3C)c2)o1	825197790	FKUCJLDTISZLEP-GFCCVEGCSA-N	241.334	3.849	0	50	BHAA	
CC(C)C(=O)Nc1ccc(Cl)cc1Cl	29785	RCJSFOUUGNQLRI-UHFFFAOYSA-N	232.110	3.588	0	50	BHAA	
O=C(CCC1CCCCC1)Nc1cccc(O)c1	527709	NREAZDZEAOZBPH-UHFFFAOYSA-N	247.338	3.691	0	50	BHAA	
CCn1c(-c2ccccc2)nnc1-c1ccccc1	2518945	MAGLLXUHNWKKOI-UHFFFAOYSA-N	249.317	3.632	0	50	BHAA	
C[C@@H](CC(=O)N1CCCCCC1)c1ccccc1	2739602	WYOAQCWWVQUJQC-AWEZNQCLSA-N	245.366	3.583	0	50	BHAA	
Cc1c(F)cccc1NC(=O)C1CCCCC1	4869023	ANKYVYKDZIFUDG-UHFFFAOYSA-N	235.302	3.653	0	50	BHAA	
Cc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)c(C)c1	18126861	FRGDTRFWFMUCKZ-OKILXGFUSA-N	245.366	3.707	0	50	BHAA	
Nc1ccc(-c2cccc(Cl)c2Cl)cn1	32565360	KYFZQQNAKZYWQZ-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
O=C(O)c1ccc(/C=C/c2ccccc2)cc1	33759110	IAGXTPCOGVFRSQ-VOTSOKGWSA-N	224.259	3.555	0	50	BHAA	
CC1=CC=C[C@@]23C=C[C@]12c1ccccc1CC3	101037659	IREUKXXUYXYFFS-IAGOWNOFSA-N	220.315	3.943	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N2CCCC[C@@H]2C)c1	123210623	ZJSXTHKGDQMULZ-ZDUSSCGKSA-N	246.354	3.710	0	50	BHAA	
CC1(C)CC[C@@H](n2cc(-c3cccs3)nn2)C1	585124279	NHMZEHLHIRGQLD-SNVBAGLBSA-N	247.367	3.758	0	50	BHAA	
Cc1c(N)cc(C(F)(F)F)cc1C(F)(F)F	163986	KWCSYADBUUUTPF-UHFFFAOYSA-N	243.150	3.615	0	50	BHAA	in-vitro
CC(=O)c1cc2c(ccc3ccccc32)o1	1393539	BMUUDDPHMDJYQK-UHFFFAOYSA-N	210.232	3.789	0	50	BHAA	
Nc1cccc(/C=C/C=C/c2ccccc2)c1	2023309	KNGXAXVSSKNENP-LUZURFALSA-N	221.303	3.995	0	50	BHAA	
CC(=O)c1ccc(Cl)c(C(F)(F)F)c1	2243103	UYNMUXTXDHJBEN-UHFFFAOYSA-N	222.593	3.561	0	50	BHAA	in-vitro
Cc1ccc(OCCCCNC2CCCC2)cc1	5013391	GTYSNUUEQLYULE-UHFFFAOYSA-N	247.382	3.686	0	50	BHAA	
Fc1ccc(Nc2ccc(Cl)nc2)cc1	71257064	ZTIUANDCWVHSTR-UHFFFAOYSA-N	222.650	3.618	0	50	BHAA	
Clc1cccc2cc(Br)cnc12	143986069	OIUOLLAXXIGJHV-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Cc1cc2c(c(N)c1C)[C@@H](C)CC2(C)C	669374495	IFIVKDLHSYUBDO-VIFPVBQESA-N	203.329	3.670	0	50	BHAA	
O=Cc1ccc(OCc2ccccc2Cl)cc1	63909	GPKGSRNVJGFHKL-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
CCOC(=O)Nc1ccc(Cl)c(Cl)c1	122374	AOVLXBXJFYNQAZ-UHFFFAOYSA-N	234.082	3.562	0	50	BHAA	
CCCCC[C@@H](C(=O)O)c1ccccc1C	2159890	ZPAZIQAQASNDHW-CYBMUJFWSA-N	220.312	3.744	0	50	BHAA	
Cc1cc2c(Nc3ccccc3)ncnc2s1	2876951	VMJSDVOVYQMXBM-UHFFFAOYSA-N	241.319	3.743	0	50	BHAA	
Brc1ccc(-c2ccccc2)cn1	14982296	TVOAXRDXTGCPBB-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
Sc1ccc(Oc2ccccc2)cc1	20431085	VUFOTXYLUWEYFC-UHFFFAOYSA-N	202.278	3.768	0	50	BHAA	in-vitro
c1cc(-c2nc(C3CCCCC3)n[nH]2)cs1	41058437	PWQOTPLSZUEESB-UHFFFAOYSA-N	233.340	3.581	0	50	BHAA	
Cc1cccc(-c2cccc(C(=O)O)c2)c1C	49820422	NZCHUDYYICLURF-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1C	137442	SIGFYRGTTYZYCT-MRVPVSSYSA-N	240.734	3.568	0	50	BHAA	
Oc1cc(C(F)(F)F)nc2ccc(Cl)cc12	170944	MGEMMMJZAWYWNI-UHFFFAOYSA-N	247.603	3.613	0	50	BHAA	in-vitro
O=C(Nc1cccc(F)c1)c1ccc(Cl)cc1	237788	WYVPLFIQSBZVOC-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CN1CC[C@@H](c2ccccc2)c2ccccc21	2033713	MLIIQHPUWXQPBF-AWEZNQCLSA-N	223.319	3.658	0	50	BHAA	
Clc1ccnc2c(Br)cccc12	2386316	DAHYJSFUKJLEEJ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Oc1ccc(-c2ccc(F)cc2)cc1Cl	32002881	QISLZLCJLVEFBH-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	in-vitro
O=C(Nc1ccccc1Cl)c1ccccc1	102731	QXZRWUSAQSKAGT-UHFFFAOYSA-N	231.682	3.592	0	50	BHAA	
Cc1ccc2ncnc(NC3CCCCC3)c2c1	122895	PXJRCMGDPFVLSH-UHFFFAOYSA-N	241.338	3.683	0	50	BHAA	
COc1ccc(C)cc1NCc1ccccc1C	263218	GMJCCCJPXOAQEG-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
c1ccc(-c2ccc(-c3ccncn3)cc2)cc1	331487	QAHGDOUMCYILBM-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
Cc1ccc([C@H]2CCC[C@@H](CC(=O)O)C2)cc1	392279	WHSXOWGHZWMPER-OCCSQVGLSA-N	232.323	3.744	0	50	BHAA	
Oc1cccc2ccc(Nc3ccccc3)nc12	1233323	FSPOTMAVKAUJGM-UHFFFAOYSA-N	236.274	3.684	0	50	BHAA	
c1ccc(-c2ccc(-c3csnn3)cc2)cc1	1387559	YMXMIKRACPVRRW-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
CC(=O)OCc1ccccc1Oc1ccccc1	5632038	OATAUOLXKLPSKK-UHFFFAOYSA-N	242.274	3.542	0	50	BHAA	
CN(C)C1=C(c2ccccc2)CCCC1	71774097	IUPNJNAQYRFXIH-UHFFFAOYSA-N	201.313	3.533	0	50	BHAA	
CN1CCCC[C@H]1C1(c2ccccc2)CCCC1	96027028	LIZBNBVZYITJTA-INIZCTEOSA-N	243.394	3.983	0	50	BHAA	
CC[C@@H](C(=O)N1CCCC[C@@H]1C)c1ccccc1	444023	IGSQQCDDDKDUEQ-DZGCQCFKSA-N	245.366	3.581	0	50	BHAA	
Cc1cc(OCCN2CCCC2)ccc1C(C)C	4845318	BCKIDIWAYYOCIW-UHFFFAOYSA-N	247.382	3.593	0	50	BHAA	
NCCC[C@@H](Oc1ccccc1)c1ccccc1	33469428	ABYSKMBKHNEEFQ-MRXNPFEDSA-N	241.334	3.546	0	50	BHAA	
CN1CCCC[C@@H]1C1(c2ccccc2)CCCC1	96027027	LIZBNBVZYITJTA-MRXNPFEDSA-N	243.394	3.983	0	50	BHAA	
CSC[C@H](C)N[C@@H](C)C[C@@H]1C[C@H]2CC[C@H]1C2	225566112	YCDSSBKVVZRUTC-HTVCTNPSSA-N	241.444	3.542	0	50	BHAA	
Clc1cccc(C(Cl)(Cl)Cl)n1	139440	DCUJJWWUNKIJPH-UHFFFAOYSA-N	230.909	3.562	0	50	BHAA	in-vitro
c1cc(CN2CCCCCCC2)cs1	292040	LOOLPYZYJXBZPQ-UHFFFAOYSA-N	209.358	3.514	0	50	BHAA	
c1ccc(COc2cccc3cc[nH]c23)cc1	402727	DIGZMTAFOACVBW-UHFFFAOYSA-N	223.275	3.747	0	50	BHAA	biogenic,in-vitro
Nc1ccc(Cl)cc1-c1ccccc1	1677126	HTPGFCKKCPBMTH-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
O[C@@H](c1ccccc1)c1cc(F)cc(Cl)c1	4242473	DZILTMPJQKYUNK-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	
CCN(C(=O)Nc1ccccc1)C1CCCCC1	6701110	RZJRKYXKMBXJIM-UHFFFAOYSA-N	246.354	3.873	0	50	BHAA	
CCCCc1ccccc1C1=NC(C)(C)CO1	71773981	VTQYRXYDKKSQHZ-UHFFFAOYSA-N	231.339	3.585	0	50	BHAA	
CS[C@@H]1CC[C@H](N[C@H](C)c2ccc(C)o2)C1	110688459	QVTMFWVSLCTHDI-GRYCIOLGSA-N	239.384	3.523	0	50	BHAA	
O=C(OCc1ccccc1)N1CCCCCCC1	306610259	DYUDWYCXNLQYEX-UHFFFAOYSA-N	247.338	3.589	0	50	BHAA	
Cc1ccccc1CCN(C)CC1(C)CCC1	1643208768	BUYDCDMAYMMIBH-UHFFFAOYSA-N	231.383	3.660	0	50	BHAA	
Fc1ccc(-c2nc(-c3cccs3)no2)cc1	118373	NOWBPAIXITWXIL-UHFFFAOYSA-N	246.266	3.604	0	50	BHAA	
Cc1ccc(NC(=O)N2CCCC[C@H]2C)c(C)c1	6731274	ILQILXSKQPOBAQ-CYBMUJFWSA-N	246.354	3.710	0	50	BHAA	
Cc1ccc2nc(Br)cc(C)c2c1	82788538	PVPUBDATKWOMSJ-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	in-vitro
COc1c(Cl)cc(Cl)cc1Cl	56578	WCVOGSZTONGSQY-UHFFFAOYSA-N	211.475	3.655	0	50	BHAA	endogenous,in-man
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1C	489570	DVOLAHSMUDBQNV-UHFFFAOYSA-N	242.274	3.773	0	50	BHAA	biogenic
O=C(OCc1ccccc1)c1cccc(Cl)c1	1961813	FKQRAQQDDUKITH-UHFFFAOYSA-N	246.693	3.697	0	50	BHAA	
O=Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12	2565156	RLQLBZDVAGJSFK-UHFFFAOYSA-N	239.249	3.787	0	50	BHAA	in-vitro
CC[C@H](O)CC[C@]1(C)CCC(C)=C[C@H]1C	4027278	SUQHUQJFQPNSCG-RDBSUJKOSA-N	210.361	3.920	0	50	BHAA	biogenic
CC(C)=CCC[C@H](C)C[C@H]1OC[C@@H](C)O1	4991095	LSKGUOZAKOLOMT-XQQFMLRXSA-N	212.333	3.520	0	50	BHAA	
CC(C)C[C@H](NC(=O)C(C)C)c1ccccc1	39975778	ABVODGJPFHVSJQ-AWEZNQCLSA-N	233.355	3.546	0	50	BHAA	
Oc1ccc(-c2cc(F)cc(Cl)c2)cc1	65340035	VLCVDASHTLJLIV-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	in-vitro
CC(C)CCOc1ccccc1-c1ncc[nH]1	67851346	RBTCRDLGIGDJIT-UHFFFAOYSA-N	230.311	3.502	0	50	BHAA	
Cc1ccc(/C=C/C(=O)OC(C)(C)C)cc1C	405938319	DXLRPOREXFMIKQ-CMDGGOBGSA-N	232.323	3.658	0	50	BHAA	
CC1(Nc2ccc(F)cc2)CCCCC1	526058849	SOYBNBDFWDPVBI-UHFFFAOYSA-N	207.292	3.960	0	50	BHAA	
CC(=O)c1ccccc1OCc1ccc(F)cc1	169536	GVLDMYWQSWDCMI-UHFFFAOYSA-N	244.265	3.607	0	50	BHAA	
O=C(CC1CCCCC1)Nc1ccccc1	451519	WIFWWZGKYZCASF-UHFFFAOYSA-N	217.312	3.596	0	50	BHAA	in-vivo
Clc1nccc2ccc(Br)cc12	2525806	UMSWWSIVPWVJOX-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
OCc1ccccc1Oc1ccc(Cl)cc1	4091805	JFUNWPYRZNHEIR-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
Cc1cccc([C@H](O)c2cc(C)cc(C)c2)c1	4290258	AHAHNENAXUENSN-INIZCTEOSA-N	226.319	3.694	0	50	BHAA	
CCOc1ccc(-c2ccc(C(C)C)nn2)cc1	426552311	JDAYGGLWKOPYCR-UHFFFAOYSA-N	242.322	3.666	0	50	BHAA	
CCOC(=O)c1ccc(-c2ccccc2)cc1	271160	FFQZMOHAQYZTNR-UHFFFAOYSA-N	226.275	3.530	0	50	BHAA	in-vitro
Cc1cccc(C(=O)c2cccc(Cl)c2)c1	4242624	UWNSZCIJIQEGNQ-UHFFFAOYSA-N	230.694	3.879	0	50	BHAA	
Fc1cccc(-c2nc(-c3ccccc3)no2)c1	6697299	LDSLDFUXSMNCFG-UHFFFAOYSA-N	240.237	3.543	0	50	BHAA	
O=C(Cc1ccc(Cl)cc1)c1cccc(F)c1	37992305	NFEVNNXCPNMBNP-UHFFFAOYSA-N	248.684	3.905	0	50	BHAA	in-vitro
CC(C)N(CCCC1(O)CCCCC1)C(C)C	96026888	ZIFMTLBDJQLLAP-UHFFFAOYSA-N	241.419	3.581	0	50	BHAA	
Cc1ccc(C)c(/C=C/Br)c1	149966893	XPFBZPYLCKMFAO-AATRIKPKSA-N	211.102	3.669	0	50	BHAA	
CCCCOc1ccccc1NC(=O)C=C(C)C	1912854	MJWGRHPCAHJZBS-UHFFFAOYSA-N	247.338	3.770	0	50	BHAA	
CCCCN(CCCC)C(=O)c1ccc(C)o1	2772566	QVHDWGUUDCHVJX-UHFFFAOYSA-N	237.343	3.630	0	50	BHAA	
CCOc1ccc(Cl)cc1[C@H]1CCCCN1	12404750	MYIBAFWQCUCAJD-GFCCVEGCSA-N	239.746	3.553	0	50	BHAA	
CC(C)c1ccc(Br)cc1F	147905669	PAYWIMMOVUPBHF-UHFFFAOYSA-N	217.081	3.712	0	50	BHAA	
Cc1cc(F)c2c(c1N)[C@@H](C)CC2(C)C	669375335	XPROMSQIMCDIQI-QMMMGPOBSA-N	207.292	3.501	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1	238203	DDOSHRIGQWXMMY-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
C=C1c2ccccc2NC(=O)N1c1ccccc1	445294	NYOVEFUYLYITFM-UHFFFAOYSA-N	236.274	3.709	0	50	BHAA	
ClC1(Cl)C[C@@H]1Sc1ccccc1	2570109	DIHSMJVOQUSOTO-QMMMGPOBSA-N	219.136	3.725	0	50	BHAA	in-vitro
COC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2	4031846	LZOJSFBNPPJEQT-UHFFFAOYSA-N	236.355	3.546	0	50	BHAA	
CC(C)CNc1ccc(OC(F)(F)F)cc1	19912525	HOJJCOMKMYUTQG-UHFFFAOYSA-N	233.233	3.653	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1F	65350083	HSMVFYUWQXPAPI-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
Cc1csc2c(Cl)nc(C3CC3)nc12	238505048	ACCYREYYHDHMKR-UHFFFAOYSA-N	224.716	3.531	0	50	BHAA	
COc1c(Cl)cc(Cl)cc1OC(F)F	263623317	GLYRLTYBZZEXAH-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
CCN(CC)C(=O)Nc1cccc2ccccc12	395039	XGHUHEYFYQALRI-UHFFFAOYSA-N	242.322	3.714	0	50	BHAA	
CC(C)c1ccccc1NC(=O)C1CCCC1	4666146	YRDSWXJDAPJEQF-UHFFFAOYSA-N	231.339	3.939	0	50	BHAA	
c1ccc(C[C@H]2CCc3ccccc3O2)cc1	34734345	PDPBIXXIHOWWHA-OAHLLOKOSA-N	224.303	3.623	0	50	BHAA	
CCN(CC)c1cc(C)c(N=O)c(C)c1	39224658	JLWZGVIBQXGURA-UHFFFAOYSA-N	206.289	3.548	0	50	BHAA	
C1=C[C@@]2(CCCS2)[C@]2(C=C1)CCCS2	43762990	OOHZAYTUNOEBMK-TXEJJXNPSA-N	224.394	3.644	0	50	BHAA	
CC(C)CC(=O)c1ccc(O)c2ccccc12	129735422	CQOYGBGVHCNQGJ-UHFFFAOYSA-N	228.291	3.774	0	50	BHAA	
CCC[C@@H]1Nc2ccccc2[C@@H]2OCCC[C@H]12	601008697	URAWUVAUCHYFOU-IPYPFGDCSA-N	231.339	3.749	0	50	BHAA	
CCC(CC)C(=O)Nc1ccc(Cl)cc1	453071	XADOMPAUIDUXBS-UHFFFAOYSA-N	225.719	3.715	0	50	BHAA	
C=Cc1ccc(-c2ccccc2C=O)cc1	142307468	JUAJGOOTIUAWDP-UHFFFAOYSA-N	208.260	3.809	0	50	BHAA	
C=Cc1cccc(OCc2ccccc2)c1OC	145509045	ZGEIZNMJAHKSOM-UHFFFAOYSA-N	240.302	3.917	0	50	BHAA	
O=C(O)[C@H]1CC[C@@H](c2ccc(Cl)cc2)CC1	228974168	NXXDIEYTMQYWJU-HOMQSWHASA-N	238.714	3.698	0	50	BHAA	
CC(C)S[C@@H]1CC(=O)CC[C@@H]1C(C)(C)C	725362210	QPILUKTVQVLRPX-NWDGAFQWSA-N	228.401	3.912	0	50	BHAA	
O=C(CCC(=O)c1ccccc1)c1ccccc1	161099	OSWWFLDIIGGSJV-UHFFFAOYSA-N	238.286	3.532	0	50	BHAA	biogenic,in-vitro
Cc1cccc(NC(=O)Nc2ccccc2)c1C	314710	HJFLYCQWMZVXGN-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
COc1ccc(Cl)c(Cl)c1Cl	405282	FRQUNVLMWIYOLV-UHFFFAOYSA-N	211.475	3.655	0	50	BHAA	
Cc1nc(-c2c[nH]c3ccccc23)cs1	455676	SMGJGZLOCHBOHX-UHFFFAOYSA-N	214.293	3.600	0	50	BHAA	
CCCCC/C(=C/c1ccccc1)CO	2041154	LIPHCKNQPJXUQF-KAMYIIQDSA-N	204.313	3.643	0	50	BHAA	endogenous,in-man
CC(C)n1ccc2cc(Br)ccc21	6348055	NCPAGYRFULVTEU-UHFFFAOYSA-N	238.128	3.985	0	50	BHAA	in-vitro
c1ccc(OCCCCCCn2ccnc2)cc1	13230214	JMCVLVYSZPTSRJ-UHFFFAOYSA-N	244.338	3.523	0	50	BHAA	
Cc1ccc(Oc2ccc([C@@H](C)N)cc2)cc1	19873244	BYALPFZCZNURCB-GFCCVEGCSA-N	227.307	3.807	0	50	BHAA	
Cc1ccc(C(=O)Nc2cccc(F)c2)c(C)c1	73221	NXTNZTADLRRSHX-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1ccc(NC(=O)C2CCCCC2)cc1F	2871742	QPCISYJAAFKNKR-UHFFFAOYSA-N	235.302	3.653	0	50	BHAA	
O=Cc1cccc(OC/C=C/c2ccccc2)c1	16972212	HVDDIFSUJMSXNM-WEVVVXLNSA-N	238.286	3.591	0	50	BHAA	
C[C@@H](CNCc1ccccc1)C1CCCC1	231504959	DGAOVUOWYJSVJD-ZDUSSCGKSA-N	217.356	3.603	0	50	BHAA	
C[Si](C)(C)[C@]12C[C@@H]3c4ccccc4[C@@H]1[C@H]32	257357971	RAVBWLMGHFXDGK-YIYPIFLZSA-N	214.384	3.980	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1ccc(C)cc1C	30889	KLOBJQXUURQUKK-LLVKDONJSA-N	219.328	3.678	0	50	BHAA	
Nc1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1	4234669	XZVAHDAEWSPHFU-UHFFFAOYSA-N	241.338	3.707	0	50	BHAA	
CC1(C)C[C@H]1C(=O)Oc1cccc2ccccc12	4947863	KYNHVOXLGDUPDI-ZDUSSCGKSA-N	240.302	3.791	0	50	BHAA	
COC(=O)c1cc2cc(C(C)(C)C)ccc2s1	6762025	WHQDVIGECHJKMV-UHFFFAOYSA-N	248.347	3.985	0	50	BHAA	
COc1ccc2c(Cl)c(Cl)cnc2c1	41702285	UJIHLIZYHGVCSR-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	in-vitro
CCC[C@@H](F)Cn1ccc2ccccc21	97758834	SPWGOILFUYHPLW-GFCCVEGCSA-N	205.276	3.780	0	50	BHAA	in-vitro
Cc1cc(C)cc(NC(=O)c2cccs2)c1	143552	HPCJNASUESCBES-UHFFFAOYSA-N	231.320	3.617	0	50	BHAA	
CC(C)C[C@H](C)NC(=O)c1ccc(Cl)cc1	362225	ZSBPLUVLOBROBS-JTQLQIEISA-N	239.746	3.504	0	50	BHAA	
Cc1ccc(NC(=O)N(C(C)C)C(C)C)cc1	396200	CSCADZYLQVLRDL-UHFFFAOYSA-N	234.343	3.646	0	50	BHAA	
Cc1cc(C)c(NC(=O)c2ccoc2C)c(C)c1	475159	LSIWXDPULIKEFZ-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
Cn1c(-c2ccccc2)c(C=O)c2ccccc21	2556301	YJOWMBICANYBLV-UHFFFAOYSA-N	235.286	3.658	0	50	BHAA	in-vitro
CCC[C@@H](NCc1cccnc1)c1ccccc1	10315433	VVAXQFPBTDWMCV-MRXNPFEDSA-N	240.350	3.713	0	50	BHAA	
O=C1C[C@H]2CCCCCCC[C@@]3(C=C[C@@H]13)C2	71786378	YBCHYGZZPWSACQ-VNHYZAJKSA-N	218.340	3.882	0	50	BHAA	
CC[C@@H](NC(=O)C1CCCC1)c1ccccc1C	72119416	DONLJZOWNFOASN-OAHLLOKOSA-N	245.366	3.753	0	50	BHAA	
CCCC1(N2CCCCC2)CCCCC1	96026668	XRGQWTFAQMHZNS-UHFFFAOYSA-N	209.377	3.975	0	50	BHAA	
CCn1c2c(c3cc(Cl)ccc31)CCCC2=O	50857	TURUTOUZTIIYOD-UHFFFAOYSA-N	247.725	3.834	0	50	BHAA	
CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1	409221	NCTSLPBQVXUAHR-UHFFFAOYSA-N	234.339	3.980	0	50	BHAA	biogenic,in-vitro
CCC(CC)NC(=O)c1ccc(C(C)(C)C)cc1	457163	ILXAWGHNJNQRPE-UHFFFAOYSA-N	247.382	3.903	0	50	BHAA	
CCCOC(=O)Nc1c(CC)cccc1CC	2172180	JKQTWWQFRQCDPI-UHFFFAOYSA-N	235.327	3.770	0	50	BHAA	
Cc1sc2nc(Cl)nc(Cl)c2c1C	3108511	LDXCWOSUWRNYEW-UHFFFAOYSA-N	233.123	3.615	0	50	BHAA	
Clc1nc2ccccc2cc1Br	14982228	RWWUFTQVKMNRQN-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
FC(F)(F)c1ccc2nc(Cl)sc2c1	14985071	YIRRVMGAKFESLR-UHFFFAOYSA-N	237.633	3.969	0	50	BHAA	in-vitro
C[C@@H]1C(=O)C[C@]23[C@@H](C)CC[C@H]2CC(C)(C)[C@H]13	71786126	DIBJENMRNRGIQH-VUJGLXIWSA-N	220.356	3.674	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2C)cc1F	38910	GWAHIGHGHJJIPW-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Fc1cccc(Nc2ncnc3ccccc23)c1	151212	QXULSIJDISMUNF-UHFFFAOYSA-N	239.253	3.513	0	50	BHAA	
Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1	228142	CJFLYWKXRZASFY-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
C[C@@H](c1ccccc1)[C@@H](OC=O)c1ccccc1	409746	VYNGOGJIFUEHLX-XJKSGUPXSA-N	240.302	3.704	0	50	BHAA	
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	1081075	ICKWICRCANNIBI-UHFFFAOYSA-N	206.329	3.987	0	50	BHAA	biogenic,in-vitro
CC1=CC(C)(C)Nc2ccc(Cl)cc21	4776776	XQGISKQNLSPHNQ-UHFFFAOYSA-N	207.704	3.947	0	50	BHAA	
CCN(c1ccccc1)c1ccc(C(=O)O)cc1	21510583	WHOYKJXJCOWAKE-UHFFFAOYSA-N	241.290	3.543	0	50	BHAA	in-vitro
C=C[C@H](CCC(=C)C)[C@@H](C(=O)O)[Si](C)(C)C	169833285	MCMUBZWTRLTXEW-NEPJUHHUSA-N	240.419	3.938	0	50	BHAA	
c1coc(-c2nc3cccc4cccc([nH]2)c43)c1	310112	XBUZJCSOVOHHJC-UHFFFAOYSA-N	234.258	3.976	0	50	BHAA	
CCc1cccc(C)c1NC(=O)N1CCCCC1	397095	ASWPAMLOVDDREF-UHFFFAOYSA-N	246.354	3.575	0	50	BHAA	
CCCN(CCC)CCc1c[nH]c2ccccc12	2018455	BOOQTIHIKDDPRW-UHFFFAOYSA-N	244.382	3.832	0	50	BHAA	in-vitro
CCCOC(=O)Nc1c(C)cccc1CC	2172149	JYGAPHJVOUGVCO-UHFFFAOYSA-N	221.300	3.516	0	50	BHAA	
Cc1coc2ccc(Br)cc12	39208888	MRQQUDYWELWUQO-UHFFFAOYSA-N	211.058	3.504	0	50	BHAA	in-vitro
C[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NC1CC=CC1	225634494	ZKSFCAYXYTVXDI-RFGFWPKPSA-N	219.372	3.509	0	50	BHAA	
C[C@H](CCC1CC1)Nc1ncnc2ccccc12	345722537	CNNODXXZBZPBDH-LLVKDONJSA-N	241.338	3.620	0	50	BHAA	
COc1ccnc(-c2ccc(F)cc2Cl)c1	426627808	OORNGNLNVVJVFZ-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
Cc1cc(C)cc(NC(=O)c2ccc(F)cc2)c1	142936	IMSWFOZFFSQPAW-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1ccc(CC)cc1	456434	OHEBVLVWOCYZIF-LLVKDONJSA-N	219.328	3.624	0	50	BHAA	
CCN[C@H](CC)c1ccc(Br)cc1	11757545	BSQJEEMOEQKIAK-LLVKDONJSA-N	242.160	3.510	0	50	BHAA	
O=C(O)c1cc(Cl)cc(-c2ccsc2)c1	65349439	DBEVKQVIXLICPW-UHFFFAOYSA-N	238.695	3.767	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(N)cc2Cl)cc1	86033061	XQUNHXKPMDRBQI-UHFFFAOYSA-N	217.699	3.898	0	50	BHAA	in-vitro
Fc1ccc2ccnc(NC3CC4(CC4)C3)c2c1	1875268491	VMEJTECUDOXGIE-UHFFFAOYSA-N	242.297	3.728	0	50	BHAA	
C[C@@]12CC3CC([C@H]4CCC(=O)O4)(C1)C[C@](C)(C3)C2	2134791414	ANENSFNSGUVWQL-QHHGTWRWSA-N	248.366	3.689	0	50	BHAA	
CC(=O)N(C1CCCCC1)C1CCCCC1	1586575	KYVIFDXEMABEDB-UHFFFAOYSA-N	223.360	3.500	0	50	BHAA	
Cc1cccc(C)c1OC(=O)/C=C/c1ccco1	3378815	JHECSWASNJDHQZ-CMDGGOBGSA-N	242.274	3.515	0	50	BHAA	
CC(C)CC(=O)c1cccc(Br)c1	36179806	YVWRKWALPWQASN-UHFFFAOYSA-N	241.128	3.678	0	50	BHAA	in-vitro
C[C@H](N)CC(c1ccccc1)c1ccccc1	44410473	DJMZXBCLPVSJPI-ZDUSSCGKSA-N	225.335	3.556	0	50	BHAA	
COc1ccc(-c2ccc(O)c(C)c2)cc1C	65340378	NJXAHRNQFMLYOP-UHFFFAOYSA-N	228.291	3.685	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(N)c(Cl)c2)cc1	86005643	JZUKERZPUIULCO-UHFFFAOYSA-N	217.699	3.898	0	50	BHAA	
CC1=CC(C)(C)Nc2cccc3c2c1cn3C	253413075	SYKXEBKDGFJAAN-UHFFFAOYSA-N	226.323	3.786	0	50	BHAA	biogenic
Oc1cc(Oc2ccccc2)ccc1Cl	293592	VLMNPPFHSLRUKD-UHFFFAOYSA-N	220.655	3.838	0	50	BHAA	
O=C(O)/C=C1\C=CC[C@H](c2ccc(Cl)cc2)C1	5896091	DOQSQCSWPIJYNF-VMPCVLLUSA-N	248.709	3.785	0	50	BHAA	
CC(C)(C)c1cc(Cl)cc(Cl)c1O	39208718	SYZQFPNVWMIJTO-UHFFFAOYSA-N	219.111	3.997	0	50	BHAA	
Cc1ncccc1-c1ccc2cnccc2c1	221292623	STMVCYPLUYWUAP-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	
OCc1sncc1-c1cccc(C2CCC2)c1	952993993	MXPSAVKOOBJIFO-UHFFFAOYSA-N	245.347	3.570	0	50	BHAA	
CCCCOc1ccc2nsnc2c1Cl	1860313	FHXOYVMZBJZUSD-UHFFFAOYSA-N	242.731	3.524	0	50	BHAA	
CCCN(CC1CC1)C(=O)Nc1ccccc1C	2890788	ITPPSXDIUDTKBS-UHFFFAOYSA-N	246.354	3.649	0	50	BHAA	
Cc1cccc(C(=O)Nc2c(F)cccc2F)c1	4837824	ZFSPKMKXFFLVLV-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CCC(C)(C)NC(=O)Nc1ccc(C)c(C)c1	6698830	RYJCSLYCGBZQDZ-UHFFFAOYSA-N	234.343	3.614	0	50	BHAA	
Fc1ccccc1-c1cc2ccccc2[nH]1	39629763	XARARSNJUMNZBE-UHFFFAOYSA-N	211.239	3.974	0	50	BHAA	in-vitro
O=Cc1ccc(/C=C\c2ccccc2)cc1	83325301	CLXSBHRRZNBTRT-SREVYHEPSA-N	208.260	3.670	0	50	BHAA	
Cc1ncc(CSc2ccoc2C)s1	131310833	MZYCVPDINQSHNU-UHFFFAOYSA-N	225.338	3.645	0	50	BHAA	
CCN(CC)C(=O)Nc1ccc(C)c(Cl)c1	395222	NTXSMLYMIGVDRF-UHFFFAOYSA-N	240.734	3.522	0	50	BHAA	
COc1cc(C)c(CNc2ccccc2)cc1C	438405	ZPIQDAFNYZEIIW-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
Cc1ccc(C)c(C(=O)Nc2cccc(F)c2)c1	514609	USAKXVMZMPLWKI-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CCSc1cc(C(F)(F)F)cc(Cl)n1	44154546	DVTZMNVPTUFPIT-UHFFFAOYSA-N	241.665	3.866	0	50	BHAA	
Cc1ccc(-c2nc(C3CCCC3)n[nH]2)c(F)c1	94918170	RICWSOUUWILKLX-UHFFFAOYSA-N	245.301	3.577	0	50	BHAA	
COC(=O)c1ccc(C)cc1-c1ccc(C)cc1	142325340	YKTDUUWVBXNDEF-UHFFFAOYSA-N	240.302	3.757	0	50	BHAA	in-vitro
CC(=O)c1c(C)cc(Cl)cc1Cl	146045443	OGFNMDQPJCHEQQ-UHFFFAOYSA-N	203.068	3.504	0	50	BHAA	
CC1(C)CCC[C@@]1(C)c1ccc(C=O)cc1	196416965	KJYANGWERYBSJY-HNNXBMFYSA-N	216.324	3.967	0	50	BHAA	biogenic
CC(=O)c1cc(C)cc2c1NC(C)(C)C[C@@H]2C	334160496	FYFDLWVGNZZVGA-JTQLQIEISA-N	231.339	3.895	0	50	BHAA	
CC(C)CNc1c2c(nc3ccccc13)CCC2	4040285	VYOKUUZWHNNMIR-UHFFFAOYSA-N	240.350	3.791	0	50	BHAA	
O[C@H](c1ccccc1)c1ccc(F)c(Cl)c1	4242469	BFCPCEKFMIVJPF-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	
Oc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1	34937602	OVYCSELFYJORLS-UHFFFAOYSA-N	244.681	3.589	0	50	BHAA	
Cc1ccc(C)c(OC(=O)c2ccccc2)c1	391424	KMDCMSZWEZKBGK-UHFFFAOYSA-N	226.275	3.523	0	50	BHAA	
Cc1ccccc1Cn1cc(C=O)c2ccccc21	454547	NONBTHMOZMXISY-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
Cc1cc(C)cc(NC(=O)OC(C)(C)C)c1	7610494	KVGLGIHTQZQWPB-UHFFFAOYSA-N	221.300	3.650	0	50	BHAA	
CCC(CC)NC(=O)Nc1ccc(Cl)cc1	18177818	RPMULUVHDRUHKN-UHFFFAOYSA-N	240.734	3.650	0	50	BHAA	
Fc1ccc(-c2cccc3c2CCCN3)c(F)c1	124366818	NEPRGHREZAXDDR-UHFFFAOYSA-N	245.272	3.990	0	50	BHAA	
Cc1ccc(C)c(-c2cncc(C(C)(C)O)c2)c1	426392802	LYDVZIVCYXSJQH-UHFFFAOYSA-N	241.334	3.593	0	50	BHAA	
CC[C@H]1CCC(=O)C[C@H]1SC(C)(C)C	725363107	XZZPKMFIYRWNDK-GXSJLCMTSA-N	214.374	3.666	0	50	BHAA	
Cc1cc(C)cc(NC(=O)NC2CCCCC2)c1	397180	WFTQCYYUOPVTSM-UHFFFAOYSA-N	246.354	3.758	0	50	BHAA	
CC1(C)c2ccccc2-c2ccc(C(=O)O)cc21	44069325	SJIBSIBHNJAUOR-UHFFFAOYSA-N	238.286	3.691	0	50	BHAA	
Cc1cc(Br)c(C)cc1Cl	55161637	SJEYWTLIMGCRGJ-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	
Cc1cc(-c2ccc3ccccc3c2)on1	259088597	DPSDOXFOJKWPOZ-UHFFFAOYSA-N	209.248	3.803	0	50	BHAA	
Nc1nc(-c2cc(Cl)ccc2Cl)cs1	2582670	GJYLSGQCBJHXEA-UHFFFAOYSA-N	245.134	3.699	0	50	BHAA	in-vitro
Clc1cccc2c(Br)ccnc12	19721436	IDHOUYADRURUHC-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Clc1cc2cc[nH]c2cc1Br	81991245	IRWREYGFJOJLFT-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
C1=C[C@@H]2C=C[C@H]3C(c4ccccc4)=C[C@@H]1[C@@H]23	253588883	XRSSQIQMXCVBAC-HGTKMLMNSA-N	206.288	3.688	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1	30878	QJOYKPASVOVSGN-QMMMGPOBSA-N	243.709	3.854	0	50	BHAA	
Fc1cccc(CCc2cccc(F)c2)c1	391610	GITWHHDMLRGQLM-UHFFFAOYSA-N	218.246	3.750	0	50	BHAA	
CCCCCC(=O)NC1(CCC)CCCC1	2464437	XIJNSAGCFRMZDO-UHFFFAOYSA-N	225.376	3.796	0	50	BHAA	
CCCCCCNc1ccc(C(C)=O)cc1	4100011	GAFVOIIOEURMGA-UHFFFAOYSA-N	219.328	3.881	0	50	BHAA	
Cc1ccc2[nH]cc(-c3cc(C4CC4)ncn3)c2c1	426599767	QKULOPWZDDLEMB-UHFFFAOYSA-N	249.317	3.811	0	50	BHAA	
CC(=O)c1ccc2[nH]c3ccccc3c2c1	1867336	CNILDPCFXDESRI-UHFFFAOYSA-N	209.248	3.524	0	50	BHAA	
Cc1ccc(CCC(=O)C2CCCC2)cc1	2516438	GUBZCTLMYSMKCN-UHFFFAOYSA-N	216.324	3.687	0	50	BHAA	
Cc1ccc([C@]2(C)CCC(C)(C)O2)cc1	3132280	ZWDJFILLTDNMRT-AWEZNQCLSA-N	204.313	3.799	0	50	BHAA	biogenic
CCCC[C@H](CC)C(=O)OCc1ccccc1	5822054	FHCYNCMLCRSWSM-AWEZNQCLSA-N	234.339	3.946	0	50	BHAA	
CC1(C)CCC(C)(C)c2cc(N)ccc21	39169511	AMDKYPNODLTUMY-UHFFFAOYSA-N	203.329	3.618	0	50	BHAA	in-vitro
Oc1cc(F)ccc1-c1cnc2ccccc2c1	65494577	GDKVEICZPBWVIH-UHFFFAOYSA-N	239.249	3.747	0	50	BHAA	
CCCCNc1cc(-c2ncco2)ccc1C	134950720	WQVDKPRFUANURK-UHFFFAOYSA-N	230.311	3.862	0	50	BHAA	
c1ccc2c(CNC3CCCCC3)c[nH]c2c1	3018330	MAMUGDCJLAKCPT-UHFFFAOYSA-N	228.339	3.590	0	50	BHAA	biogenic
CCCC(=O)Nc1nc2c(C)ccc(C)c2s1	4331379	FJKQUXQZXYDYGN-UHFFFAOYSA-N	248.351	3.652	0	50	BHAA	
FC(F)(F)CCSc1ccccc1	95147697	ZLBWLAAFXZPFKH-UHFFFAOYSA-N	206.232	3.731	0	50	BHAA	
Cc1ccc(Cl)c(-c2cccc([C@H](C)O)n2)c1	96133519	PUIMOOAEAJIXIW-JTQLQIEISA-N	247.725	3.764	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1c(C)cccc1C	30737	RAFFEBDPHSRLMS-GFCCVEGCSA-N	219.328	3.678	0	50	BHAA	
Cc1nc2ccccc2n1[C@@H](C)c1ccccc1	167645	GTDZOOOVFNXSPY-LBPRGKRZSA-N	236.318	3.954	0	50	BHAA	
Cc1ccccc1NC(=O)/C=C/c1ccccc1	235043	VHCQQXKZAMLIPM-VAWYXSNFSA-N	237.302	3.647	0	50	BHAA	
Cc1cc(C)c(NC(=O)NC(C)(C)C)cc1C	401508	QFGDQRWDQDCRRI-UHFFFAOYSA-N	234.343	3.532	0	50	BHAA	
Cc1cc(C)c(Br)c(C)c1C	1591805	OYAFABIVQFUGMR-UHFFFAOYSA-N	213.118	3.683	0	50	BHAA	biogenic
CCCOc1ccc([C@@H](O)c2ccccc2)cc1	3176009	GUUNHNLQDTXABJ-INIZCTEOSA-N	242.318	3.557	0	50	BHAA	
CC(C)CNCc1ccc(-c2ccccc2F)o1	4842806	ZCOWLGOMEPKZBR-UHFFFAOYSA-N	247.313	3.831	0	50	BHAA	
CC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1	11907507	SOGNQFOKMKWVMI-LLVKDONJSA-N	245.347	3.613	0	50	BHAA	
CN(Cc1ccccc1)Cc1c(F)cccc1F	55422172	PSSWPTDMULHOLW-UHFFFAOYSA-N	247.288	3.597	0	50	BHAA	
C[C@H](O)c1cc(-c2ccc3ncoc3c2)cs1	1875342068	WFRNAOMDIQVRTE-QMMMGPOBSA-N	245.303	3.610	0	50	BHAA	
Cc1ccccc1-n1c(C)nc2ccccc21	232043	SSBFZPSUBJGZCL-UHFFFAOYSA-N	222.291	3.642	0	50	BHAA	
C[C@H](CCc1ccccc1)NCc1ccccc1	2164236	ZASBYHZJHQFLGN-OAHLLOKOSA-N	239.362	3.798	0	50	BHAA	
Cc1nc(-c2ccccc2)nc(Cl)c1Cl	3133383	NFOZYLBNNOYECJ-UHFFFAOYSA-N	239.105	3.759	0	50	BHAA	
CN(C)c1ccc(CCc2ccccc2)cc1	5140566	YVKSFPDFFIXAES-UHFFFAOYSA-N	225.335	3.538	0	50	BHAA	
Fc1ccc2nc(Cl)cc(Cl)c2c1	16697805	XLEGVSYSXNPSAU-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	in-vitro
O=C1CC[C@]2(c3ccccc3)[C@@H]1[C@@H]2c1ccccc1	100818795	IJXHRYRHSFUZEX-OKZBNKHCSA-N	248.325	3.701	0	50	BHAA	
C[Si](C)(C)N1C(=O)c2cccc3cccc1c23	170591447	WTLIPXIYUACTAR-UHFFFAOYSA-N	241.366	3.635	0	50	BHAA	
CCS[C@H]1CC(=O)CC[C@@H]1C(C)(C)C	725362247	RAIZYDGTIYMDSU-QWRGUYRKSA-N	214.374	3.523	0	50	BHAA	
O=Cc1c(-c2ccccc2)[nH]c2ccccc12	61642	IFIFXODAHZPTEY-UHFFFAOYSA-N	221.259	3.647	0	50	BHAA	biogenic,in-vitro
C[C@@H](CCc1ccccc1)NCc1ccccc1	2164235	ZASBYHZJHQFLGN-HNNXBMFYSA-N	239.362	3.798	0	50	BHAA	
C=C[C@H](CCC(=C)C)[C@@H](C(=O)O)C(C)C	43198920	CXLKJULDNNMQCF-NEPJUHHUSA-N	210.317	3.502	0	50	BHAA	
CCC[C@@H](C)n1ncc2[nH]c([C@@H](C)CC)nc21	55568673	YKXXXVCJKKMGLS-VHSXEESVSA-N	234.347	3.634	0	50	BHAA	
Cc1ccc(C(F)(F)C(F)(F)F)cc1F	96024687	FDUKXWZBKFUEKW-UHFFFAOYSA-N	228.135	3.788	0	50	BHAA	
CC(C)(C)[C@@H]1C[C@@H]2O[C@H]2[C@@H]([Si](C)(C)C)C1	252428007	NOBFKOZQKMCAJZ-NOOOWODRSA-N	226.436	3.918	0	50	BHAA	
OC1(C2CCCCC2)C2CCCC1CCC2	1728651	MYSPSMCNWBEYPP-UHFFFAOYSA-N	222.372	3.898	0	50	BHAA	
Cc1cc(C)c2c(n1)sc1c(Cl)ncnc12	2716159	CQRSHGSHXMCUTQ-UHFFFAOYSA-N	249.726	3.510	0	50	BHAA	
Cc1cccc(NC(=O)NC2CCCCCC2)c1	6726444	CTUSJUZQHKLKGP-UHFFFAOYSA-N	246.354	3.839	0	50	BHAA	
CSc1ccccc1-c1nc(C)nc(C)c1C	215268901	PMQDPBUQILHEIH-UHFFFAOYSA-N	244.363	3.791	0	50	BHAA	
CC[n+]1c(C)sc2ccc3ccccc3c21	294944	ATFWYVHOXDEENI-UHFFFAOYSA-N	228.340	3.670	0	50	BHAA	
c1ccc(-c2noc(CC3CCCCC3)n2)cc1	496918	WFSSMVAEBISWLS-UHFFFAOYSA-N	242.322	3.859	0	50	BHAA	
Cc1cnc(Nc2cccc(Cl)c2)s1	528586	USNUTTOOIPRTMZ-UHFFFAOYSA-N	224.716	3.849	0	50	BHAA	
CCCCOC(=O)Nc1ccc(C)cc1C	1770642	JRICEOSBCKGWME-UHFFFAOYSA-N	221.300	3.652	0	50	BHAA	
C[C@H](C(=O)c1ccccc1)c1ccccc1	2045626	CQLXSFDDEBUZQZ-LBPRGKRZSA-N	210.276	3.673	0	50	BHAA	
CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1C(=O)CCC3(C)C	2534706	VCOCESNMLNDPLX-NVBFEUDRSA-N	220.356	3.818	0	50	BHAA	in-vitro
O=C(O)c1ccccc1CSc1ccccc1	2575238	QXPRAGVOCILNHG-UHFFFAOYSA-N	244.315	3.677	0	50	BHAA	in-vitro
CCCC(=O)c1ccc(OC(F)(F)F)cc1	74937924	LTDVRAOOJBROPS-UHFFFAOYSA-N	232.201	3.568	0	50	BHAA	
Clc1cc2ncccc2cc1Br	82049590	LTMBJODLNOMUAB-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
O=C(O)c1ccc(-c2cccc3ccccc23)[nH]1	138471356	UEBMJNRDEGKPGS-UHFFFAOYSA-N	237.258	3.533	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1Oc1cccc(CCCO)c1	584907146	JJZSJNNKXMZXAQ-CJNGLKHVSA-N	248.366	3.569	0	50	BHAA	
CCCC(=O)c1ccc(N2CCCCC2)c(F)c1	447912	GPYJLAVAELCLCJ-UHFFFAOYSA-N	249.329	3.799	0	50	BHAA	
Brc1ccc2ccccc2c1	1672947	APSMUYYLXZULMS-UHFFFAOYSA-N	207.070	3.602	0	50	BHAA	in-vitro
COc1ccc(Nc2ccccc2)c(C)c1	236039	CYMPUOGZUXAIMY-UHFFFAOYSA-N	213.280	3.747	0	50	BHAA	biogenic,in-vitro
CC(C)c1ccc(C(=O)O)c(C(C)C)c1	4205449	JMDVEMBKUWIWHK-UHFFFAOYSA-N	206.285	3.632	0	50	BHAA	in-vitro
CC(C)(C)OC(=O)Nc1ccc(Cl)c(F)c1	83501934	CAQFDOGCQMWYBK-UHFFFAOYSA-N	245.681	3.826	0	50	BHAA	
c1ccc2c(c1)NCCCN2Cc1ccsc1	131331627	XODABITUGVVVMA-UHFFFAOYSA-N	244.363	3.570	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2C)cc1C	362065	PXCZTXNQJNQMEN-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Clc1onc2c1CCSc1ccccc1-2	399056	MELOEKWKGZCXAI-UHFFFAOYSA-N	237.711	3.643	0	50	BHAA	
CC(C)COc1ccccc1OCC(C)C	463847	CBCPZADAVLVLGG-UHFFFAOYSA-N	222.328	3.756	0	50	BHAA	
CC(C)Oc1c(Cl)cc(C=O)cc1Cl	466119	ZSUPYLWHFXVVDP-UHFFFAOYSA-N	233.094	3.593	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)N2CCCC[C@H]2C)c1C	6731685	UOCASXHCOUIDAS-GFCCVEGCSA-N	246.354	3.710	0	50	BHAA	
C[Si](C)(C)C1([C@@]23CCCC[C@@H]2O3)CC1	169829286	NBNDXYINJRUQRQ-CMPLNLGQSA-N	210.393	3.570	0	50	BHAA	
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O	56404	JZODKRWQWUWGCD-UHFFFAOYSA-N	222.328	3.693	0	50	BHAA	biogenic,in-vivo
CC(=O)Nc1cc(Cl)c(Cl)cc1Cl	394891	VUSLTUGEJURGLB-UHFFFAOYSA-N	238.501	3.605	0	50	BHAA	
CCC[C@H](C)c1nc2c(cnn2[C@H](C)C(C)C)[nH]1	48435846	VTMGZWVZVKQCDO-WDEREUQCSA-N	248.374	3.880	0	50	BHAA	
CC(C)(C)c1ccccc1Br	49815274	DSMRKVAAKZIVQL-UHFFFAOYSA-N	213.118	3.747	0	50	BHAA	
Cc1cc(C)c2c(Br)nsc2c1	205366077	XMCSCRNSCUCBPW-UHFFFAOYSA-N	242.141	3.676	0	50	BHAA	
CC1(C)COC2(CCC(C(C)(C)C)CC2)OC1	293964	ITAQXRNYXMMCPF-UHFFFAOYSA-N	240.387	3.992	0	50	BHAA	
CC(C)c1ccc(OCc2ccc(C=O)o2)cc1	373456	FUTHEWGJXKGRKV-UHFFFAOYSA-N	244.290	3.795	0	50	BHAA	
CC(C)c1ccc(C(C)(C)CC(=O)O)cc1	433259	QPYCIBKPIRVHQL-UHFFFAOYSA-N	220.312	3.562	0	50	BHAA	
CCCN(CCC)C(=O)[C@@H](CC)c1ccccc1	2740369	SEHPOVAZFFMMPU-HNNXBMFYSA-N	247.382	3.829	0	50	BHAA	
COc1ccccc1-c1cccc2ncccc12	1239540607	WKZDYRMECZIGFX-UHFFFAOYSA-N	235.286	3.910	0	50	BHAA	
Cc1ccc2nc(-c3ccc(O)cc3)sc2c1	157514	YRPIXORGESANFA-UHFFFAOYSA-N	241.315	3.977	0	50	BHAA	
CCn1c(C)nc2cc(Cl)c(Cl)cc21	236070	IVVLMQPTQOLYDX-UHFFFAOYSA-N	229.110	3.671	0	50	BHAA	in-vitro
CCC(CC)C(=O)NCCCCc1ccccc1	2114828	HRRZZQIMYUHSGD-UHFFFAOYSA-N	247.382	3.562	0	50	BHAA	
CC[C@@H](C)Nc1ncnc2c1oc1ccccc12	3166477	BTUCAYJFGUDYAF-SECBINFHSA-N	241.294	3.586	0	50	BHAA	
CCCCSCCCCCN1CCSC1	33754569	MGAYOFBZKDBMOM-UHFFFAOYSA-N	247.473	3.696	0	50	BHAA	
CCCCC1CCN(C(=O)OC(C)(C)C)CC1	72194168	IHKGPZWPUATOIW-UHFFFAOYSA-N	241.375	3.824	0	50	BHAA	in-vitro
CC(C)CC(=O)c1ccc(O)c(C(C)(C)C)c1	129730819	GSFHBVUZACLPMQ-UHFFFAOYSA-N	234.339	3.919	0	50	BHAA	
c1ccc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)cc1	250656229	VOQHYRMWIMDWCD-JYJNAYRXSA-N	229.367	3.603	0	50	BHAA	
CC(C)Oc1cc(Cl)cc(Cl)c1F	261494167	RJJLPJZVZVMPQG-UHFFFAOYSA-N	223.074	3.920	0	50	BHAA	
CCc1sc(N)nc1-c1ccc(Cl)cc1	4247167	OHRVZSIATXAKGK-UHFFFAOYSA-N	238.743	3.608	0	50	BHAA	
Clc1cccc2ccnc(Br)c12	71482539	IYZAFGYWTPTDIX-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
COc1sccc1-c1cncc(OC(C)C)c1	1616034399	DSGBECJHZSSUQU-UHFFFAOYSA-N	249.335	3.606	0	50	BHAA	
COc1ccc2nc(C)c3c(c2c1)S[C@@H](C)C3	290697	ULOVXTCIGNRESU-QMMMGPOBSA-N	245.347	3.589	0	50	BHAA	
CCC(CC)C(=O)Nc1c(C)cccc1C	453061	USAUYARXKPCDSB-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
CCCCNc1ncnc2c1oc1ccccc12	2399578	QTNSKPGDDOWILD-UHFFFAOYSA-N	241.294	3.588	0	50	BHAA	
CSc1ccccc1[C@H]1CCCCCN1	3734987	NETSUPARTVOWIS-GFCCVEGCSA-N	221.369	3.613	0	50	BHAA	in-vitro
C(=C\c1cnnc2ccccc12)\c1ccccc1	4537541	VQXIUGSZPAZYGV-KHPPLWFESA-N	232.286	3.800	0	50	BHAA	
C/C=C(\C)c1nc2cc(Cl)ccc2[nH]1	55182438	HGKYFMCOYSUDKO-XVNBXDOJSA-N	206.676	3.640	0	50	BHAA	
[C-]#[N+]c1ccccc1OCc1ccccc1	110096413	FZJCCDZQKLSBHT-UHFFFAOYSA-N	209.248	3.816	0	50	BHAA	
CC(C)CCOc1nc2ccccc2s1	406531	NHXKHPOIUVGAFC-UHFFFAOYSA-N	221.325	3.721	0	50	BHAA	
Fc1ccc([C@@]2(c3ccccc3)CCCO2)cc1	410141	JVNBYUPPDDUHJC-INIZCTEOSA-N	242.293	3.880	0	50	BHAA	
Fc1ccc(CNCCC2=CCCCC2)cc1	2132378	XNRWHWFIOLQMQP-UHFFFAOYSA-N	233.330	3.806	0	50	BHAA	
C/C=C(\C)C(=O)O[C@@H](CC)CCCCC	6756674	LMBAQNNBRWRROG-BCMYLCSRSA-N	212.333	3.855	0	50	BHAA	
Cc1ccc(Oc2ccc(C=O)cc2)cc1	8550320	CKNIKWIWRIHFSJ-UHFFFAOYSA-N	212.248	3.600	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)c2cc(C)oc2C)c(C)c1	9910662	WFHPSAJCSGIGMR-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
O=C(O)c1cc(Cl)cc(-c2ccccc2)c1	20397761	GOVBCPARFFKQIO-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Cc1ccc(-c2noc(-c3ccsc3)n2)cc1	38537413	NYMJIHNAJCTRIZ-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	in-vitro
Fc1nc(OC2CCCCC2)ccc1Cl	261493912	LUXXGSGODLWHRN-UHFFFAOYSA-N	229.682	3.586	0	50	BHAA	
Cc1ccc(C=O)c(/C=C/c2ccccc2)c1	263623610	IZHLUOBBPLEEDD-CSKARUKUSA-N	222.287	3.978	0	50	BHAA	
Cc1ccc(C)c(-c2ccc(C(C)C)nn2)c1	426548427	FDKGTFBPMFXSPP-UHFFFAOYSA-N	226.323	3.884	0	50	BHAA	
Cc1cccc(NC(=O)c2cccc(C)c2)c1	241468	VOEZRYLQOURMQV-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
CC(C)(C)OC(=O)Oc1cccc2cccnc12	397895	PAAWXPHOQOQYNE-UHFFFAOYSA-N	245.278	3.549	0	50	BHAA	
Cc1ccc(OCCCCCN2CCCC2)cc1	2183541	BZZGABFEBXYWST-UHFFFAOYSA-N	247.382	3.640	0	50	BHAA	
CCCCOCP(C)(=O)COCCCC	3105899	RMTNJAUFQQGCPT-UHFFFAOYSA-N	236.292	3.528	0	50	BHAA	
Nc1ccc(-c2ccc(Cl)cc2Cl)cn1	52886433	ZNFTYJQTJXHFNC-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
C[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C	169743335	PEGHITPVRNZWSI-UHFFFAOYSA-N	233.580	3.793	0	50	BHAA	
c1ccc(-c2cc(-c3ccccc3)ncn2)cc1	331485	BWRMZQGIDWILAU-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
CCC1(CC)COC(c2ccccc2)OC1	394057	YGWYPRIDROYZLZ-UHFFFAOYSA-N	220.312	3.538	0	50	BHAA	in-vitro
Cc1ccc(C(=O)c2cc(F)cc(F)c2)cc1	4255222	QIZSUGMQKHHAJH-UHFFFAOYSA-N	232.229	3.504	0	50	BHAA	
Cc1ccc(OCCN2CCCCCC2)c(C)c1	4915119	RGFYJSRWEQLPSS-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Cc1ccccc1Oc1ccc(N)cc1C	14630508	KMJOAOYCGNYUPW-UHFFFAOYSA-N	213.280	3.678	0	50	BHAA	
Cc1cc(N)ccc1Oc1ccc(F)cc1	14630543	STASXGNOMHJGQT-UHFFFAOYSA-N	217.243	3.509	0	50	BHAA	
Cc1ccc(Cl)c2c(Cl)ccnc12	32099380	IYXRCWLZIIBTGX-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
Brc1ccc(Nc2ccccc2)nc1	38537114	FRTSINXUXVKBNF-UHFFFAOYSA-N	249.111	3.588	0	50	BHAA	in-vitro
Cc1cccc(-c2nc3cccc(C)c3[nH]2)c1O	43598723	WZSGLQPYDJYCKC-UHFFFAOYSA-N	238.290	3.552	0	50	BHAA	
FC(F)c1ccc(OC(F)(F)F)cc1	47203470	CFBXRZFGBVTYOO-UHFFFAOYSA-N	212.117	3.523	0	50	BHAA	
CCC[C@@H]1OC[C@H]2[C@@H](C)C=C(C)[C@H]1[C@@H]2C	105583460	PLNTZIJJUMKIGW-SWTDPAGASA-N	208.345	3.650	0	50	BHAA	biogenic
CCOc1cc(Cl)cc(C(F)(F)F)c1	261493685	HALVDGHGIVSGQV-UHFFFAOYSA-N	224.609	3.758	0	50	BHAA	
Cc1n[nH]cc1-c1ccc(F)c(C(F)(F)F)c1	725271651	JNLGBOCMSTTWSV-UHFFFAOYSA-N	244.191	3.543	0	50	BHAA	
C/C=C/C(=O)Nc1cc(Cl)ccc1Cl	294350	HXXKJUAGZWEWLK-NSCUHMNNSA-N	230.094	3.508	0	50	BHAA	
O=C1CCCc2cc3c(cc21)-c1ccccc1CC3	2140941	YVGXWBAAHRAVFX-UHFFFAOYSA-N	248.325	3.971	0	50	BHAA	in-vitro
CC1=NN(Cc2c[nH]c3ccccc23)C(C)(C)C1	4725086	ZPAUBCMRIRWNAQ-UHFFFAOYSA-N	241.338	3.528	0	50	BHAA	
CCOc1ccc(OCc2ccccc2)cc1	6948391	CVKUPTWZGDJTEY-UHFFFAOYSA-N	228.291	3.664	0	50	BHAA	
CC[C@@H](O)c1nc2ccccc2n1CCC(C)C	7548692	SMFXJSADFFRQKW-CQSZACIVSA-N	246.354	3.526	0	50	BHAA	
C[C@H](O)c1ccc(Oc2ccccc2F)cc1	35632186	CLBYUIZRXKIWJM-JTQLQIEISA-N	232.254	3.671	0	50	BHAA	
CCC[C@@H]1OC[C@H]2[C@@H](C)C=C(C)[C@H]1[C@H]2C	105583454	PLNTZIJJUMKIGW-YGTGSIHKSA-N	208.345	3.650	0	50	BHAA	biogenic
FC(F)(F)Cc1cccc(OC(F)(F)F)c1	263620161	GAXOIYNVXZXCKX-UHFFFAOYSA-N	244.134	3.690	0	50	BHAA	
C[C@@H](N)c1ccc(-c2ccnc(C(F)F)c2)cc1	725273467	FLIMYFKNAFQWGW-SECBINFHSA-N	248.276	3.706	0	50	BHAA	
Oc1cc(C(F)(F)F)nc2c(Cl)cccc12	157271	SBVZSZNYPRWWNN-UHFFFAOYSA-N	247.603	3.613	0	50	BHAA	in-vitro
CO[C@H]1CCCC[C@H]1Nc1ccc(C)c(C)c1	293212	CCKVKDWMBPBQII-CABCVRRESA-N	233.355	3.673	0	50	BHAA	
Cc1ccc(C(=O)c2c(F)cccc2F)cc1	2569660	POCROCNITUXEAY-UHFFFAOYSA-N	232.229	3.504	0	50	BHAA	in-vitro
CCOP(=O)(Cc1cccs1)OCC	2582028	GOJBUVQDOFHBLF-UHFFFAOYSA-N	234.257	3.514	0	50	BHAA	
C[C@H](Oc1ccccc1)c1nc2ccccc2[nH]1	3277521	LXOLJRITACRNID-NSHDSACASA-N	238.290	3.703	0	50	BHAA	
CC(C)(C)CC(=O)Nc1ccc(Cl)cc1F	12381432	DBIKWFLBRMSPAX-UHFFFAOYSA-N	243.709	3.854	0	50	BHAA	
Oc1cc(Cl)cc(-c2ccccc2)c1	39249375	NOJLLJXVEWGKFB-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	
CC(C)C[C@H](C)Cn1ccc(=O)c2sccc21	253396713	AXCYEGKOMUZGNJ-NSHDSACASA-N	249.379	3.745	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1	298883	XMGCEEJZQAEORN-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1	4856899	UJUNEZBQMKQLAE-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC(C)Oc1ccc(Cl)c(Cl)c1	59027979	CXUNMKVSGSAWJU-UHFFFAOYSA-N	205.084	3.781	0	50	BHAA	
Cc1cc(CNC(C)(C)C)ccc1Cl	125468116	NUZUQXBPBMDOBZ-UHFFFAOYSA-N	211.736	3.537	0	50	BHAA	
CCC(CC)C(=O)Nc1ccc(C)c(C)c1	361844	RQEYNWJHQVPTTG-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
COc1ccc(OC)c(/C=C/c2ccccc2)c1	1707852	KUPZMZKMMSWRSG-CMDGGOBGSA-N	240.302	3.874	0	50	BHAA	in-vitro
CCCCC/C(=C\c1ccccc1)CO	5192544	LIPHCKNQPJXUQF-SDNWHVSQSA-N	204.313	3.643	0	50	BHAA	in-vitro
Clc1ccc2[nH]c(Nc3ccccc3)nc2c1	26440423	PSRPSUXQVOROSZ-UHFFFAOYSA-N	243.697	3.960	0	50	BHAA	
CC(C)CSCCC(=O)c1ccccc1	130800378	GNAQUKCEJINSQP-UHFFFAOYSA-N	222.353	3.649	0	50	BHAA	
Cc1ccc(-c2cc(C)cc(C(=O)O)c2)cc1	131847142	JIGPGBJMTWZRDX-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
Cc1ccc(C(=O)Oc2cc(C)cc(C)c2)cc1	129714	UDYNJQBTHMSEBU-UHFFFAOYSA-N	240.302	3.831	0	50	BHAA	
Cc1cc(N2CCCCCC2)nc2ccccc12	351404	LPJGDGPZJLDWPD-UHFFFAOYSA-N	240.350	3.924	0	50	BHAA	
Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)c(C)c1	514583	FRGDTRFWFMUCKZ-ZIAGYGMSSA-N	245.366	3.707	0	50	BHAA	
CCC(C)(C)NC(=O)c1ccc(C(C)(C)C)cc1	615962	WUFCOHTWZKTWBK-UHFFFAOYSA-N	247.382	3.903	0	50	BHAA	
Cc1ccc(O)c(-c2cc3ccccc3[nH]2)c1	1186464	MUKYIYYGYCUBRL-UHFFFAOYSA-N	223.275	3.849	0	50	BHAA	
CCCCCCOc1cccc(C(C)=O)c1	2149524	PZHLAKHVPWDONN-UHFFFAOYSA-N	220.312	3.848	0	50	BHAA	
Cc1cccc2c(C=O)c(C(C)(C)C)[nH]c12	3675686	SREGXHVERAMDQR-UHFFFAOYSA-N	215.296	3.586	0	50	BHAA	in-vitro
O=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	124983	MRVWKXZQBOFMAW-UHFFFAOYSA-N	240.180	3.778	0	50	BHAA	in-vitro
Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1	2574122	PDKIAMYXBRKPBW-UHFFFAOYSA-N	237.224	3.955	0	50	BHAA	in-vivo
Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	3864931	KZMYFIUFUAOZHP-UHFFFAOYSA-N	228.335	3.860	0	50	BHAA	
CCCC(=O)c1ccc(Cl)cc1Cl	22001495	FXCJYMLJTUZGDU-UHFFFAOYSA-N	217.095	3.976	0	50	BHAA	
Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1C	100290394	XWNRRQLMVZNGGR-KBPBESRZSA-N	243.350	3.678	0	50	BHAA	
C1C[C@H]2[C@@H]3[C@@H]1[C@H]1CC[C@@H]4[C@@H]1[C@H]3[C@H]1[C@@H]4CC[C@@H]12	253588911	YSSOBFMYUGCUNX-IRTZDFNZSA-N	214.352	3.571	0	50	BHAA	
COc1cc(Cl)c(Cl)cc1Cl	169176	SXKBHOQOOGRFJF-UHFFFAOYSA-N	211.475	3.655	0	50	BHAA	
Cc1nnc(Nc2ccccc2)c2ccccc12	274078	LFOJZSFIMXDOSH-UHFFFAOYSA-N	235.290	3.682	0	50	BHAA	
Cc1ccc(NC(=O)CC2CCCC2)c(C)c1	8723340	MBZOREMXZQPBLZ-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
C[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C)[C@@]13C=C[C@]21CC=CC3	249690803	KYBVGURWBOKRGE-HIFUNWJGSA-N	212.336	3.967	0	50	BHAA	
Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C	95209	WXJJMJBXWVJLTL-UHFFFAOYSA-N	242.274	3.773	0	50	BHAA	biogenic
C=Cc1ccc(OCc2ccccc2)c(OC)c1	407000	DPAUCHAAEWIRKG-UHFFFAOYSA-N	240.302	3.917	0	50	BHAA	
CCOC(=O)/C=C/c1c(Cl)cccc1Cl	2170507	LUUHRZVWQLCAAC-VOTSOKGWSA-N	245.105	3.570	0	50	BHAA	
C/C=C(\C)C(=O)O[C@H](CC)CCCCC	2566032	LMBAQNNBRWRROG-IGEMTJHASA-N	212.333	3.855	0	50	BHAA	
CCc1ccccc1OCCCCNC(C)(C)C	2898079	KCOORHDYOVLCAY-UHFFFAOYSA-N	249.398	3.796	0	50	BHAA	
CCCC(=O)c1cc(Br)ccc1F	36180161	YFIKSXUBLVNPSA-UHFFFAOYSA-N	245.091	3.571	0	50	BHAA	in-vitro
[N-]=[N+]=NCCCCCCCCCCCO	205047334	KHYJKWLDKUVWLG-UHFFFAOYSA-N	213.325	3.800	0	50	BHAA	
O=C(Nc1ccc2ccccc2c1)c1ccco1	37705	PWJSTRAQADHHRP-UHFFFAOYSA-N	237.258	3.685	0	50	BHAA	
Cc1occc1C(=O)Nc1cccc(Cl)c1C	90867	YHODFLYTYDJKNC-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
O=C(O)c1ccccc1SCc1ccccc1	124812	IQMZULGMADGDLC-UHFFFAOYSA-N	244.315	3.677	0	50	BHAA	
Cn1cccc1-c1cccc(-c2cccn2C)c1	330726	MUUQZQCWHODSID-UHFFFAOYSA-N	236.318	3.698	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1ccc(CC)cc1	456435	OHEBVLVWOCYZIF-NSHDSACASA-N	219.328	3.624	0	50	BHAA	
Cc1cn(C(=O)OC(C)(C)C)c2ccccc12	36449401	SMURSSZMVCOKOO-UHFFFAOYSA-N	231.295	3.733	0	50	BHAA	in-vitro
CC(=O)Sc1ccc(-c2ccccc2)cc1	71783318	WAORWYCFAUQMPU-UHFFFAOYSA-N	228.316	3.992	0	50	BHAA	
CC(C)(Cc1ccccc1)N1CCCCCC1	96027711	UEFWHYBNEWKHMR-UHFFFAOYSA-N	231.383	3.884	0	50	BHAA	
CC1(C)CC[C@@H]2CCNc3cccc1c32	1775956669	WBGDVLHERVJUAC-SNVBAGLBSA-N	201.313	3.657	0	50	BHAA	
O=C(O)c1sc2cccc(Cl)c2c1Cl	334753	OIWHDKKVGXWDEW-UHFFFAOYSA-N	247.102	3.906	0	50	BHAA	
COc1cccc(-c2cc3ccccc3[nH]2)c1	1519024	BROVFBHLXAOTKQ-UHFFFAOYSA-N	223.275	3.844	0	50	BHAA	in-vitro
Clc1cccc2sc(Br)nc12	1605485	OYBFKJFWVAZRMI-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
Sc1ccc(-c2ccc(S)cc2)cc1	1670390	VRPKUXAKHIINGG-UHFFFAOYSA-N	218.346	3.931	0	50	BHAA	biogenic,in-vitro
Cc1ccc([C@](C)(O)CCc2ccccc2)cc1	3131018	HCWSUJJMPIRUKT-QGZVFWFLSA-N	240.346	3.835	0	50	BHAA	
S=C(S)Nc1ccc(Cl)c(Cl)c1	4793076	LOKITQRXMMZMJV-UHFFFAOYSA-N	238.164	3.620	0	50	BHAA	
CCCC[C@@H](CC)CNC(=O)c1ccc(C)o1	4894599	IWTVLLVHDJPKFY-GFCCVEGCSA-N	237.343	3.534	0	50	BHAA	
FC(F)(F)[C@H]1C=C1CCc1ccccc1	95629979	BMFQMGCNKUOGQF-NSHDSACASA-N	212.214	3.738	0	50	BHAA	
Cc1cc(Cl)ccc1-c1ccc(C=O)o1	258487	JVICCHCCYHIKQI-UHFFFAOYSA-N	220.655	3.721	0	50	BHAA	
Nc1ccc(Oc2ccccc2)c(Cl)c1	1641224	KFJFBKCMYYAWHI-UHFFFAOYSA-N	219.671	3.715	0	50	BHAA	
CCCOC(=O)Nc1cc(Cl)cc(Cl)c1	2143137	RGKOVFGYYDGIKW-UHFFFAOYSA-N	248.109	3.952	0	50	BHAA	
CC[C@H](C)c1ccccc1OCCCCN(C)C	4914185	YLKCJJZXKHPLMA-AWEZNQCLSA-N	249.398	3.921	0	50	BHAA	
CC(C)c1ccccc1NC(=O)C(C)(C)C	5413884	JDVOWFVFZSHICJ-UHFFFAOYSA-N	219.328	3.795	0	50	BHAA	
Fc1cc(Br)c(Cl)cc1Cl	63339642	HNCWLJLWAVCZDM-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
Fc1c(Br)ccc(Cl)c1Cl	66318967	LDDUTCXBRJGSAR-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	
CC(C)(C)OC(=O)Nc1sccc1Cl	299889665	MOUVZIQSSJFSDC-UHFFFAOYSA-N	233.720	3.749	0	50	BHAA	
Cc1ccc(C(=O)CCNc2ccccc2)cc1	243992	JHSIKOWJHVHIGO-UHFFFAOYSA-N	239.318	3.680	0	50	BHAA	
Cc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1	282090	DRVBWVSGMCHHOU-UHFFFAOYSA-N	240.302	3.520	0	50	BHAA	
CCC[C@H](C)c1ccc(NC(C)=O)cc1	409743	BYYACEAZNHCFCH-JTQLQIEISA-N	205.301	3.549	0	50	BHAA	
O=Cc1ccc(-c2ccccc2Cl)cc1	1260363	PGMYZSDMJRFWKS-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	
FC(F)(F)Oc1cccc2c(Cl)ccnc12	2386329	OEFHGIFQRVQFSA-UHFFFAOYSA-N	247.603	3.787	0	50	BHAA	
CC[C@H](C)Oc1cccc(Br)c1	20217378	IYTODUNJECOLAN-QMMMGPOBSA-N	229.117	3.626	0	50	BHAA	
O=Cc1ccc(Cl)c(-c2ccccc2)c1	32002832	ZASCVQZHZZGACQ-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	
CC(C)(C)CC(C)(C)NC(=O)c1ccccc1	614963	INHLZZBBRVWNPB-UHFFFAOYSA-N	233.355	3.631	0	50	BHAA	
CC(C)[C@H](N)C(c1ccccc1)c1ccccc1	2386289	KJRIVAFIKUXDBL-KRWDZBQOSA-N	239.362	3.802	0	50	BHAA	
CCCCC(CC)(CCCC)C(=O)O	54633018	UDIMEPZRBOMNAG-UHFFFAOYSA-N	200.322	3.848	0	50	BHAA	
COc1cncc(-c2ccc(Cl)cc2F)c1	669380832	QPVUTESDYYNBAB-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
F/C(=C(/F)C(F)(F)Cl)C(F)(F)Cl	2560315	AERQHTTXGFFYIB-OWOJBTEDSA-N	232.938	3.800	0	50	BHAA	
CCCCNCCCOc1c(C)ccc(C)c1C	2931819	HGXFTECJXMIVOR-UHFFFAOYSA-N	249.398	3.770	0	50	BHAA	
O=C(O)c1ccc(-c2ccc(Cl)cc2)s1	3399174	GWLCYLPZQKOCTB-UHFFFAOYSA-N	238.695	3.767	0	50	BHAA	in-vitro
Cc1c(-c2ccccc2)cn2ccccc12	36467201	ZVRPQDBYKXNEAH-UHFFFAOYSA-N	207.276	3.915	0	50	BHAA	
Oc1cc(Cl)cc(-c2ccccc2F)c1	65343058	VDHDZHOOPKAUOP-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	
O=Cc1cn(C2CC2)c2c(C3CC3)cccc12	140774825	NTMOEMGSUSIQJN-UHFFFAOYSA-N	225.291	3.666	0	50	BHAA	
Cc1cccc(C)c1NC(=O)N1CCCC[C@@H]1C	400232	PHXOIHZDCXNJNG-ZDUSSCGKSA-N	246.354	3.710	0	50	BHAA	
CCC1CCN(C(=O)Nc2ccccc2C)CC1	4810343	JBXNUMGWAAEZHX-UHFFFAOYSA-N	246.354	3.649	0	50	BHAA	
CCCCOC(=O)[C@@H](CC)CCCC	5822045	USPADFUBVAGYOJ-NSHDSACASA-N	200.322	3.546	0	50	BHAA	
Cc1ccc(C)c(-c2ccc(NC(C)C)nn2)c1	97642497	RLNMONYDLVGNIU-UHFFFAOYSA-N	241.338	3.581	0	50	BHAA	
Cc1cc(N)ccc1-c1cccc(-c2cc[nH]n2)c1	20234590	JJSWFQIXYGZHCO-UHFFFAOYSA-N	249.317	3.634	0	50	BHAA	
Cc1ccc(-c2ccc(-c3ccn[nH]3)cc2)nc1C	96165422	LYWBXQKANVGZPO-UHFFFAOYSA-N	249.317	3.756	0	50	BHAA	
CC[C@@H]1[C@@H](C)CCN1Cc1ccc(F)cc1F	170599708	HRPXUIMTWUNKED-IINYFYTJSA-N	239.309	3.585	0	50	BHAA	
Fc1ccc([C@]2(c3ccccc3)CCCO2)cc1	410140	JVNBYUPPDDUHJC-MRXNPFEDSA-N	242.293	3.880	0	50	BHAA	
C/C(=C\c1cc(Cl)sc1Cl)C(=O)O	5183756	HUEZEUMIYQSSJE-DUXPYHPUSA-N	237.107	3.543	0	50	BHAA	
C[C@H](NC(=O)c1ccccc1Cl)C(C)(C)C	12381120	SJQFDBFRIVRZFY-VIFPVBQESA-N	239.746	3.504	0	50	BHAA	
CC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1	202622875	NAYHRLNRTBNYDF-UHFFFAOYSA-N	247.681	3.730	0	50	BHAA	
COc1ccc(C)cc1N[C@@H]1CCC[C@@H](C)C1	439033	QKIMPGNKKYHZLZ-DGCLKSJQSA-N	233.355	3.994	0	50	BHAA	
O=C(/C=C/c1ccco1)Nc1ccccc1Cl	460025	YINKGGMGPMETNP-BQYQJAHWSA-N	247.681	3.585	0	50	BHAA	
Cc1cc(Cl)c2cc(Cl)ccc2n1	2564330	KYBCQZHRJZJYCE-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
CCCC[C@@H](CC)CNC(=O)Cc1ccccc1	2774359	QBPUOUIZPYGRRQ-CQSZACIVSA-N	247.382	3.562	0	50	BHAA	
O=C1c2ccccc2-c2ccc(O)c3cccc1c23	3894728	NWMOJFNQYCKHBL-UHFFFAOYSA-N	246.265	3.757	0	50	BHAA	biogenic
CCOc1cc(Cl)cc(Cl)c1OCC	261493667	GSQWJFBQRRNYOU-UHFFFAOYSA-N	235.110	3.791	0	50	BHAA	
Cc1scnc1-c1cnc2cccc(F)c2c1	1875249496	WZLCLXIZQYZGDX-UHFFFAOYSA-N	244.294	3.806	0	50	BHAA	
Cc1ccc2nc(-c3ccc(N)c(C)c3)oc2c1	20134490	QOWHJJPYTXSBQT-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
Cc1cc(Br)cc2ccoc12	38252107	FYSCPARNNVMYGE-UHFFFAOYSA-N	211.058	3.504	0	50	BHAA	in-vitro
Clc1ccc2sc(Cl)nc2c1	39596566	LHUHAARPMJISMM-UHFFFAOYSA-N	204.081	3.603	0	50	BHAA	in-vitro
CCOc1cc(Br)ccc1Cl	40571491	NLYBGPXRAMZWPD-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	
Cc1cc(C)c(-c2cnc(Cl)cn2)c(C)c1	67981991	DSFNEQULQFMUKU-UHFFFAOYSA-N	232.714	3.722	0	50	BHAA	
Clc1cc2ncnc(Cl)c2cc1Cl	95627747	JHLMAVSDZYYXFQ-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	
Clc1cnc2ccccc2c1Br	41702562	CEIUGGBALRQUPB-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
C[C@@H](NC(=O)C(C)(C)C)c1ccc(Cl)cc1	70236828	SKIYYCISULAFIW-SECBINFHSA-N	239.746	3.563	0	50	BHAA	
CC1=C[C@H](C)[C@@H](CNCc2ccco2)[C@H](C)C1	101567784	YHIFVIYJGMJLIA-GZBFAFLISA-N	233.355	3.608	0	50	BHAA	
C1=CC[C@]23[C@H]4c5ccccc5[C@H]5[C@H]6[C@@H]([C@H]2[C@H]46)[C@]53C1	253588523	GIYFDWIXSJEAJA-HEOTYWOFSA-N	232.326	3.709	0	50	BHAA	
Cc1cc(F)c2c(c1N)[C@H](C)CC2(C)C	669375334	XPROMSQIMCDIQI-MRVPVSSYSA-N	207.292	3.501	0	50	BHAA	
CC1(C)CCC=C(c2ccc(C(=O)O)cc2)C1	725245558	KFMJJMMIWRJVGU-UHFFFAOYSA-N	230.307	3.978	0	50	BHAA	
COc1ccc(CN2CCC(C)CC2)c(C)c1C	217048	PORJDBLXPJEPLK-UHFFFAOYSA-N	247.382	3.544	0	50	BHAA	
CCN(CC)C(=O)Nc1ccc(Cl)cc1C	395327	OOXWRDYHLKIAKR-UHFFFAOYSA-N	240.734	3.522	0	50	BHAA	
Cc1nc2ccccc2n1Cc1ccc(F)cc1	462837	KSSXSCMKCVTSTB-UHFFFAOYSA-N	240.281	3.532	0	50	BHAA	
C1=CC2c3ccccc3C1c1ccccc12	1728840	VWDKVBGOVYWYFZ-UHFFFAOYSA-N	204.272	3.834	0	50	BHAA	biogenic
CCOc1ccc(CN[C@H](C)CC)cc1Cl	10474910	ZAOSTMBMNPBUBO-SNVBAGLBSA-N	241.762	3.627	0	50	BHAA	
Cc1ccccc1/C=C(/C(=O)O)c1ccccc1	11589132	KHANWKKJVBIUOJ-RVDMUPIBSA-N	238.286	3.620	0	50	BHAA	
c1ccc2c(SCc3ccon3)nccc2c1	15083675	LCSDESRCSGETMD-UHFFFAOYSA-N	242.303	3.515	0	50	BHAA	
COc1cc(C)c(CN2CCCC[C@@H]2C)cc1C	23282103	JNOTWIYRYWECKJ-AWEZNQCLSA-N	247.382	3.686	0	50	BHAA	
Cc1ccc2c(-c3cccc(O)c3)cccc2n1	65526542	NHCBJJDHQAPRHE-UHFFFAOYSA-N	235.286	3.916	0	50	BHAA	
COC(=O)c1cc(-c2ccc(C)cc2)ccc1F	97757107	UAXIOYDTXJOJIQ-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
O=C(c1ccccc1)c1cccc(Cl)c1	105316	CPLWKNRPZVNELG-UHFFFAOYSA-N	216.667	3.571	0	50	BHAA	
O=C(Nc1ccc(F)c(Cl)c1)C1CCCC1	376549	CCDARWAEEWYPEK-UHFFFAOYSA-N	241.693	3.608	0	50	BHAA	
Cc1ccc(OCCOc2ccc(C)cc2)cc1	1716637	UIFAEJQCFLEWCF-UHFFFAOYSA-N	242.318	3.761	0	50	BHAA	
CCCCNCCCCOc1ccccc1CC	2901773	NGLFAXPIFXUWKD-UHFFFAOYSA-N	249.398	3.798	0	50	BHAA	
CC1(C)C[C@@H]1C(=O)Oc1ccc2ccccc2c1	6658390	MBENQELIBNWIJX-CQSZACIVSA-N	240.302	3.791	0	50	BHAA	
Cc1cc(Br)c(F)cc1Cl	63360956	FHMGARFZRFRQNI-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
CC(=O)c1ccc(-c2ccc(O)c(C)c2)cc1	65340351	DGVNTRGLRMRXNY-UHFFFAOYSA-N	226.275	3.570	0	50	BHAA	
CC(C)(C)c1nc(-c2cccnc2)cs1	146658496	JRFUFLVOVYXMGH-UHFFFAOYSA-N	218.325	3.503	0	50	BHAA	
CCCCC(=O)N1CC[C@@H](c2ccc(C)cc2)C1	359999253	YZLGBZHGTJPSKK-OAHLLOKOSA-N	245.366	3.501	0	50	BHAA	
Cc1cnnc(-c2ccc(CC(C)C)cc2)c1C	2100477236	UVVPHHFTSXOTAR-UHFFFAOYSA-N	240.350	3.959	0	50	BHAA	
Cc1ccc(NC(=O)OC(C)C)cc1Cl	128049	PJUNGEJMHKZHAV-UHFFFAOYSA-N	227.691	3.605	0	50	BHAA	
Cc1ccccc1OC(=O)Oc1ccccc1C	406684	POZGCGJFBOZPCM-UHFFFAOYSA-N	242.274	3.881	0	50	BHAA	
Clc1ccc(Nc2cc(Cl)ncn2)cc1	48631150	OLIKUFFCLVIJHD-UHFFFAOYSA-N	240.093	3.527	0	50	BHAA	
Fc1ccc(Oc2ccc(Cl)cn2)cc1	88442290	LMPYHXKSGUJUCQ-UHFFFAOYSA-N	223.634	3.666	0	50	BHAA	
CC(=O)c1ccc(Oc2ccccc2F)cc1	4255995	PMTIXDASSQPMGP-UHFFFAOYSA-N	230.238	3.821	0	50	BHAA	
c1cc([C@H]2CC[C@H](c3ccncc3)C2)ccn1	8701036	HAFLCZNYGBYLEE-GJZGRUSLSA-N	224.307	3.528	0	50	BHAA	
Cc1ccc2c(C)cc(Cl)nc2c1C	12810462	OSCHOKMWJQRQQL-UHFFFAOYSA-N	205.688	3.813	0	50	BHAA	in-vitro
COc1ccccc1CNc1ccc(F)c(F)c1	19918080	PXMBPLKHTLFMRW-UHFFFAOYSA-N	249.260	3.586	0	50	BHAA	
Cc1cc(Br)cc(OC(C)C)c1	62152410	PTXFQXJAQCSOKA-UHFFFAOYSA-N	229.117	3.545	0	50	BHAA	
Fc1cc(F)c(C(F)(F)F)c(Cl)c1	67800054	WIJOUVRWUGTVJU-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
CCCCCn1cc(C(=O)OC)c2ccccc21	95803984	FMSUKWLGFFSMTP-UHFFFAOYSA-N	245.322	3.618	0	50	BHAA	in-vitro
C[C@@H]1CCCC[C@H]1CCNCc1ccccc1	720412493	ABVHCAJEERDSAJ-ZBFHGGJFSA-N	231.383	3.993	0	50	BHAA	
CCOc1cc(Cl)c(OCC)cc1Cl	338829	FPPRAMDVWJLFCI-UHFFFAOYSA-N	235.110	3.791	0	50	BHAA	
CCCC(=O)OC(C)(C)[C@H]1CC=C(C)CC1	2572265	LWKWNIYBQLKBMQ-LBPRGKRZSA-N	224.344	3.855	0	50	BHAA	endogenous,in-man
Cc1ccc(CN[C@H](C)c2ccccc2)s1	4997843	GCBHJOWYJBACTF-GFCCVEGCSA-N	231.364	3.907	0	50	BHAA	
Clc1ccnc2cc(-c3ccccc3)[nH]c12	33962050	JESBRNMJLZZVBD-UHFFFAOYSA-N	228.682	3.883	0	50	BHAA	
Cc1ccc(C(F)(F)C(F)(F)F)cc1C	95147677	ZICLJLGSNJZNFD-UHFFFAOYSA-N	224.172	3.958	0	50	BHAA	
Cc1ccc(-c2ccc3sc(C)nc3c2)cn1	146145623	KAQPEWHHHIXRDF-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
Cc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1	129447	DBCUVGGUMCUOGM-UHFFFAOYSA-N	240.302	3.831	0	50	BHAA	
COc1ccc(CN2CCC[C@H](C)C2)c(C)c1C	759135	QMBKJKXXFBRETI-LBPRGKRZSA-N	247.382	3.544	0	50	BHAA	
CCCc1nc2ccccc2n1C(C)C	1473049	RISXKCXCETVWDF-UHFFFAOYSA-N	202.301	3.570	0	50	BHAA	
Cc1cc(Nc2ccc(F)c(Cl)c2)sn1	2771742	YIACQVAARGUEJB-UHFFFAOYSA-N	242.706	3.988	0	50	BHAA	
COC(=O)c1ccc(-c2ccccc2C)cc1F	97757359	BZKLEPMTKARNLA-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	100044896	MPYYVGIJHREDBO-TYNCELHUSA-N	238.371	3.791	0	50	BHAA	in-vitro
CC[Si](CC)(CC)c1ccc(C)cc1	169815798	QCMQECDEHTWDOM-UHFFFAOYSA-N	206.405	3.711	0	50	BHAA	
FC(F)Oc1ccc2nc(Cl)sc2c1	238535231	XTZJIDNYUNWXMN-UHFFFAOYSA-N	235.642	3.551	0	50	BHAA	
COc1ccc(NCC2CCCCC2)c(OC)c1	757043	JTSXPZKVKDUPMZ-UHFFFAOYSA-N	249.354	3.696	0	50	BHAA	
Cc1cccc(OCOc2cccc(C)c2)c1	858985	KHPWJAYXESGRMR-UHFFFAOYSA-N	228.291	3.719	0	50	BHAA	
Cc1ccc(COCc2ccccc2)cc1	2165811	GFUOFKQCKQNCNJ-UHFFFAOYSA-N	212.292	3.712	0	50	BHAA	
CCc1cccc2c(C=O)c(C(C)(C)C)[nH]c12	3674815	ZXWXKJNJVWDXJF-UHFFFAOYSA-N	229.323	3.840	0	50	BHAA	in-vitro
Clc1c2c(nc3ccccc13)CCCC2	4289570	IYPJWKLHPNECFJ-UHFFFAOYSA-N	217.699	3.767	0	50	BHAA	in-vitro
CCCN(C(=O)c1ccco1)c1cccc(C)c1	9095409	MLQUHEXNNKFGOV-UHFFFAOYSA-N	243.306	3.645	0	50	BHAA	
CCC1CCC(N(C)CCc2ccccn2)CC1	229827	NXSLTLAORWDLGA-UHFFFAOYSA-N	246.398	3.525	0	50	BHAA	
Cc1cccc(NC(=O)c2ccc(C)c(C)c2)c1	362068	VJUORWYHIMUOPY-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N2CCC[C@H](C)C2)c1	6741614	BUZSPGUQJZTNDY-NSHDSACASA-N	246.354	3.567	0	50	BHAA	
CCN[C@@H](CC)c1ccc(Br)cc1	11757544	BSQJEEMOEQKIAK-NSHDSACASA-N	242.160	3.510	0	50	BHAA	
CCOc1ccc2nc(C)cc(Cl)c2c1	11847644	MCHJXEBEWPNTSQ-UHFFFAOYSA-N	221.687	3.595	0	50	BHAA	in-vitro
CCCCN(CCCC)c1ccc(C=O)c(O)c1	44069270	BWHGDPKOFVNGFQ-UHFFFAOYSA-N	249.354	3.611	0	50	BHAA	in-vitro
FC1(F)CCC(/C=C/Br)CC1	685964577	NPDROZGUNANRPS-ZZXKWVIFSA-N	225.076	3.721	0	50	BHAA	
Cc1ccc(C)c(-c2cnn(CC3CC3)c2)c1	1240514898	NUTNGQMTKTYSJF-UHFFFAOYSA-N	226.323	3.577	0	50	BHAA	
CCC(C)(C)C(=O)Nc1cccc(Cl)c1	30839	OOBPCLNTMLPXND-UHFFFAOYSA-N	225.719	3.715	0	50	BHAA	
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1	119403	GPTXWRGISTZRIO-UHFFFAOYSA-N	228.078	3.556	0	50	BHAA	biogenic,world
Cc1ccc(NC(=S)Nc2ccccc2)cc1	400202	NZPBFKQKPZEPED-UHFFFAOYSA-N	242.347	3.804	0	50	BHAA	
Fc1cc(Cl)cc(Br)c1S	36532993	VGXWIJBVSBHQOA-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
COc1ccc(CN2CCCC[C@H]2C)c(C)c1C	277896	UWRWRXWLLGXKFW-GFCCVEGCSA-N	247.382	3.686	0	50	BHAA	
CCCCN(CCCC)C(=O)c1ccoc1C	2748478	FEDWPTFGEULLGN-UHFFFAOYSA-N	237.343	3.630	0	50	BHAA	
CC1(C)CCCc2c1[nH]c1c(F)cccc21	86851146	MQNLJOUNBRALIM-UHFFFAOYSA-N	217.287	3.921	0	50	BHAA	
CC1=Nc2cc(C)c(C)cc2N=C(C)C1	100853538	PZPBUFKMWJINRJ-UHFFFAOYSA-N	200.285	3.892	0	50	BHAA	
Cc1cc(CNCc2ccccc2)ccc1Cl	136038203	ZWCXFZJAGHEPQG-UHFFFAOYSA-N	245.753	3.938	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1NC(=O)CC1(C)CCCC1	572913924	XJKUYUYOTXZUKG-OLZOCXBDSA-N	237.387	3.652	0	50	BHAA	
CC[C@H](C)c1nc(Cl)cc(C(F)F)n1	642883374	UBLCYHJKEYSQDC-YFKPBYRVSA-N	220.650	3.581	0	50	BHAA	
O=Cc1cc2c(ccc3cc(C=O)sc32)s1	334063	IVQGPTIBBMBNAX-UHFFFAOYSA-N	246.312	3.741	0	50	BHAA	
COC(=O)Nc1ccc(Oc2ccccc2)cc1	476404	YQGLXHXYFGGBQS-UHFFFAOYSA-N	243.262	3.657	0	50	BHAA	
c1ccc2c(-c3ccncc3)cccc2c1	5332280	HBUWLNOJQAZUQZ-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	
Fc1c(Br)ccc2ccccc12	63148558	WPNSUUQOEPQDOI-UHFFFAOYSA-N	225.060	3.741	0	50	BHAA	in-vitro
Cc1cc(F)ccc1-c1ccc(O)cc1	125886310	VKWLGZRQBJHLIU-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	
Cc1nc2cc(Oc3cccnc3)ccc2s1	1800412165	VSYKFTDBXJPTAS-UHFFFAOYSA-N	242.303	3.792	0	50	BHAA	
Clc1nc2ccccc2nc1-c1ccccc1	41122	KPGPIQKEKAEAHM-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	
CC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1	198803	GMSXJBHZLZLIEQ-SSDOTTSWSA-N	246.137	3.522	0	50	BHAA	
Cc1ccc(Cn2cc(C=O)c3ccccc32)cc1	264114	RDJOPYUWTRUVCS-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
OCc1csc2ccc3ccccc3c12	330010	GIXZQEZTNPIFLL-UHFFFAOYSA-N	214.289	3.547	0	50	BHAA	
Brc1ccc(-c2cccnc2)cc1	1437369	FCHUOBPHXDXZBK-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
CC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	4056168	QSPCNJJIWKLTMC-ZDUSSCGKSA-N	240.302	3.710	0	50	BHAA	
CCCc1nc2cc(Cl)c(Cl)cc2[nH]1	8857256	OEFVYUZIGAGWJB-UHFFFAOYSA-N	229.110	3.822	0	50	BHAA	
CCC1CCC(NCc2ccccc2OC)CC1	21500450	VMZDOVHAFPSUGN-UHFFFAOYSA-N	247.382	3.754	0	50	BHAA	
COc1ccc2c(c1)oc1cc(OC)ccc12	43214907	JCJMSTHACAMTFA-UHFFFAOYSA-N	228.247	3.603	0	50	BHAA	
CC1=CC[C@@H]2CCC[C@]2(C)[C@H](O)[C@@H]2CC=C[C@H]12	71786084	YBCXZGPUDVSCGV-GCSSGZNBSA-N	232.367	3.696	0	50	BHAA	
CC(C)n1ccc2c(C=O)ccc(Cl)c21	222927466	BSRJCXWWMJNQQB-UHFFFAOYSA-N	221.687	3.688	0	50	BHAA	
C[C@@H]1[C@@H](NC(=O)CC2=CCCCC2)CCC[C@H]1C	225414166	GOUVYWSJTHVZQD-IPYPFGDCSA-N	249.398	3.818	0	50	BHAA	
C=CC(=O)N(CC1CCCCC1)c1ccccc1	1875367400	MKWCHKCXWWVSNZ-UHFFFAOYSA-N	243.350	3.786	0	50	BHAA	
CC(C)(C)c1cc(C(C)(C)C)c(O)cc1O	157885	KJFMXIXXYWHFAN-UHFFFAOYSA-N	222.328	3.693	0	50	BHAA	biogenic
CC(=O)CC(c1ccccc1)c1ccccc1	1724551	FPHXYKLKNOEKTQ-UHFFFAOYSA-N	224.303	3.798	0	50	BHAA	
Brc1ccncc1-c1ccccc1	14982302	PJQXGXWAGCCGKK-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	
CC(C)c1ccc(Br)c(F)c1	142675645	DHAJJCSKQVDXKG-UHFFFAOYSA-N	217.081	3.712	0	50	BHAA	
C[C@H]1C[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)C1=O	242648737	RFIRDPUJDHCPEO-WHCZJHEKSA-N	220.356	3.674	0	50	BHAA	
CO[C@@H]1CCCC[C@H]1Nc1ccc(C)c(C)c1	293207	CCKVKDWMBPBQII-HUUCEWRRSA-N	233.355	3.673	0	50	BHAA	
CCC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1	407521	XOMAJFJCFSLFCF-SECBINFHSA-N	240.734	3.650	0	50	BHAA	
CCCc1cc(=O)oc2cc3occ(C)c3cc12	407797	ZTTLXIGZQRLEOL-UHFFFAOYSA-N	242.274	3.800	0	50	BHAA	biogenic
Fc1ccc([C@H]2Cc3ccccc3N2)cc1	3715024	NUOTVARVLBUZBZ-CQSZACIVSA-N	213.255	3.535	0	50	BHAA	in-vitro
c1ccc(Sc2nc3ccccc3[nH]2)cc1	5286400	IHOFRNVUIOVDJP-UHFFFAOYSA-N	226.304	3.714	0	50	BHAA	
c1ccc(-c2nc[nH]c2C2CCCC2)cc1	65494423	HOWITRGGNQTKBH-UHFFFAOYSA-N	212.296	3.734	0	50	BHAA	
C(=C/c1ocnc1CC1CC1)\c1ccccc1	2356166726	LHAFFGFPKAKXKX-CMDGGOBGSA-N	225.291	3.798	0	50	BHAA	
Clc1ccccc1CNCc1ccccc1	290345	RLPZBYLIRBRIPA-UHFFFAOYSA-N	231.726	3.630	0	50	BHAA	in-vitro
Cc1ccc(OCCCCNC(C)(C)C)cc1C	2932229	WNVCXOALVWJGDW-UHFFFAOYSA-N	249.398	3.851	0	50	BHAA	
Oc1cccc(-c2nccn2C2CCC2)c1Cl	1875242425	RMPNTHPPWMKTMJ-UHFFFAOYSA-N	248.713	3.634	0	50	BHAA	
O=C1O[C@H](c2ccc(Cl)cc2)c2ccccc21	170539	SUSCNWIPCFTMMQ-CYBMUJFWSA-N	244.677	3.600	0	50	BHAA	biogenic
Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1	292915	PXBPMCNEAZKAKS-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1OC(=O)NC1CCCCC1	396383	DDSKHAHMBAVXFS-YPMHNXCESA-N	239.359	3.624	0	50	BHAA	
CCCC(CCC)C(=O)Nc1cc(C)ccc1O	462576	UFHZQARTFPNLMM-UHFFFAOYSA-N	249.354	3.856	0	50	BHAA	
CC[C@H](c1cccnc1)N(C)Cc1ccsc1	65526399	CGVYGIIDAROPBL-CQSZACIVSA-N	246.379	3.726	0	50	BHAA	
Cc1ccncc1NC(=O)[C@@H](C)C1CCCCC1	1875327770	KMBBZQXTAKMYIS-LBPRGKRZSA-N	246.354	3.545	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2F)cc1F	2869049	FCGVHRXZKSIGQS-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Cc1ccc([C@@H]2Cc3ccccc3N2)cc1	3714982	VIQYPBCVLNWCEY-HNNXBMFYSA-N	209.292	3.704	0	50	BHAA	in-vitro
Cc1ccccc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1	18089974	KKIIUZKPXVUAFW-TXEJJXNPSA-N	246.354	3.505	0	50	BHAA	
CC(=O)c1ccc(-c2ccccc2Cl)o1	19089856	OQKZBDRVDZZGAC-UHFFFAOYSA-N	220.655	3.803	0	50	BHAA	in-vitro
C1=CC[C@]23C=C[C@]2(C1)Cc1ccccc1C3	101037730	PPNLCXLEESNQBQ-HZPDHXFCSA-N	208.304	3.678	0	50	BHAA	
Cc1ccc(-c2ccc(F)c(Cl)c2)cn1	669381004	VNTUOZGHSXNRMH-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
c1ccc(CSc2nc3ccccc3[nH]2)cc1	41278	IJINDUSMSVDESS-UHFFFAOYSA-N	240.331	3.855	0	50	BHAA	
Cc1ccc(C(=O)Nc2cccc(C)c2)cc1	127849	UUOQMDYIKKMSTR-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
Cc1ccccc1NC(=O)N1[C@H](C)CCC[C@H]1C	6730106	GPLJPVVSNMQVHK-CHWSQXEVSA-N	246.354	3.790	0	50	BHAA	
Cc1ccc(-c2ccc(C)c(F)c2)cn1	148270168	AEPBEAPSBGPTCW-UHFFFAOYSA-N	201.244	3.505	0	50	BHAA	
CCCCOc1cccc(Br)c1F	261493926	MAZAZJSTMZSGHT-UHFFFAOYSA-N	247.107	3.767	0	50	BHAA	
O=C(CCC1CCCC1)Nc1ccc(F)cc1	375691	OYUKGZDWHUTIEO-UHFFFAOYSA-N	235.302	3.735	0	50	BHAA	
CCCCNCCCCOc1ccc(C)c(C)c1	2898725	SCFLZFKFKXJUKQ-UHFFFAOYSA-N	249.398	3.852	0	50	BHAA	
Clc1ccc2cc(Br)cnc2c1	34318883	AULIHGFJRSSSKE-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Brc1ccccc1[C@H]1C[C@H]1C1CC1	117155463	JFEKQFAEQBOBIU-WDEREUQCSA-N	237.140	3.963	0	50	BHAA	
Cc1ccnc(-c2ccc3sc(C)nc3c2)c1	1250457213	KHIRZWLOOCOPSE-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1	189029	YONYPNNXOHWPBZ-UHFFFAOYSA-N	247.301	3.514	0	50	BHAA	
Cc1cccc(Sc2ccc(NC=O)cc2)c1	400050	XKXBMSJVNOQWIF-UHFFFAOYSA-N	243.331	3.715	0	50	BHAA	
NCc1ccc(-c2ccc(Cl)cc2)s1	2576572	IIPNNQZFBHWKAI-UHFFFAOYSA-N	223.728	3.527	0	50	BHAA	in-vitro
Cc1ccccc1[C@H](O)c1ccccc1Cl	17379641	HVYKUKPIGLOQTO-AWEZNQCLSA-N	232.710	3.730	0	50	BHAA	
Cc1cc(-c2ccc(F)c(C(=O)O)c2)ccc1F	38068203	YHBBLLCQZCJYRJ-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
Cc1nccc(Cl)c1OCc1ccccc1	95635050	MLIWGSAMCVNQMF-UHFFFAOYSA-N	233.698	3.622	0	50	BHAA	in-vitro
CC(C)(C)C(=O)c1ccc(O)c(C(C)(C)C)c1	129731071	RWVLQMJQVMJZCA-UHFFFAOYSA-N	234.339	3.919	0	50	BHAA	
CC(C)[C@H]1CCC(=O)C[C@H]1SC(C)(C)C	725360562	IPHCWDMMTTZRTL-VXGBXAGGSA-N	228.401	3.912	0	50	BHAA	
C[C@H](c1cccc(-c2cncnc2)c1)C(F)F	2325776399	HMRWHLSAZGVEJN-SECBINFHSA-N	234.249	3.512	0	50	BHAA	
Cc1cccc(C(=O)Oc2ccc(C)c(C)c2)c1	129450	MIBMYXKXZWXSNM-UHFFFAOYSA-N	240.302	3.831	0	50	BHAA	
Clc1ccc(-c2cn3ccccc3n2)cc1	188433	NGGHEECJTVTTSO-UHFFFAOYSA-N	228.682	3.655	0	50	BHAA	biogenic,in-vitro
Cc1ccccc1[C@H](CCC(C)C)C(=O)O	394129	MNELGDYQFVCTGL-ZDUSSCGKSA-N	220.312	3.599	0	50	BHAA	in-vitro
Cc1nc(-c2cccc3ccccc23)c[nH]1	65395791	TYPAGVNLSALLPN-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	
CCc1ccccc1NC(=O)c1cccc(C)c1	128797	VEYZHSHZWVRNAI-UHFFFAOYSA-N	239.318	3.810	0	50	BHAA	
CCc1ccccc1NC(=O)N1CCC(C)CC1	6699738	DJVYEGRQZOPHPN-UHFFFAOYSA-N	246.354	3.513	0	50	BHAA	
C[C@@H](Sc1ccccc1)C1=CCCCO1	43198795	PIJHQTKDJAJYON-LLVKDONJSA-N	220.337	3.862	0	50	BHAA	
CC[C@@H](C)Nc1snc2ccccc12	60248775	BDZLLSQFVYYANY-MRVPVSSYSA-N	206.314	3.507	0	50	BHAA	
CC(C)Oc1c(Cl)ccc(Cl)c1F	238206651	ANNAFPZEVZCIJH-UHFFFAOYSA-N	223.074	3.920	0	50	BHAA	
C[C@H]1C[C@H]([C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)C1=O	242648738	RFIRDPUJDHCPEO-ZFSZKFIGSA-N	220.356	3.674	0	50	BHAA	
C[C@@H]1[C@@H]2Oc3ccccc3[C@@H]1Oc1ccccc12	252694505	LOQYRSWVFIUHMT-ASENMTNGSA-N	238.286	3.890	0	50	BHAA	biogenic
CCc1ccccc1OCCCCN(CC)CC	5024177	BMWZEDFTEIYENF-UHFFFAOYSA-N	249.398	3.750	0	50	BHAA	
CC(C)=CCC[C@H](C)NCCCc1ccccn1	20868131	ZLPRKPQZCJMINH-HNNXBMFYSA-N	246.398	3.739	0	50	BHAA	
Cc1cccc(C(=O)c2ccccc2C)c1	21983659	KWSGMNYAGVBFIB-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	
Cc1ccc([C@H](C)CCN2CCCC[C@H]2C)o1	22077729	VETYRGYMDFMOAY-CHWSQXEVSA-N	235.371	3.956	0	50	BHAA	
CCC[C@@H](NC(=O)c1ccoc1)c1ccccc1	53282504	PDSBUJAEKAQCIQ-CQSZACIVSA-N	243.306	3.551	0	50	BHAA	
C[C@@H]1CC[C@@H](C)N1CCCC(=O)c1ccccc1	96027802	HGKYRGFXUDYROZ-ZIAGYGMSSA-N	245.366	3.522	0	50	BHAA	
COc1c(Cl)ccc(OC(F)F)c1Cl	263623677	JPVFWTWHGOYFQN-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
CCn1c(Cc2ccccc2)nc2ccccc21	247576	PWJYGSIIEUGRFW-UHFFFAOYSA-N	236.318	3.647	0	50	BHAA	
CCc1cccc(CC)c1NC(=O)OC(C)C	397320	DIMPWPFMGJPQIE-UHFFFAOYSA-N	235.327	3.768	0	50	BHAA	
Oc1ccc(-c2cccc(Cl)c2)cc1	13840558	KQQLSFZHXNFEGT-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	
CCCOc1c(C)cc(Br)cc1C	39151299	RRGCJLAVMQLAAZ-UHFFFAOYSA-N	243.144	3.855	0	50	BHAA	
CC1(C)CCCc2c1[nH]c1ccc(F)cc21	86851144	JGDOGZVQAJJULZ-UHFFFAOYSA-N	217.287	3.921	0	50	BHAA	
CC(C)Oc1c(F)cc(Cl)cc1Cl	261493644	GLUPDIGKQLNZKC-UHFFFAOYSA-N	223.074	3.920	0	50	BHAA	
O=C(C1CCCCC1)N1CCCc2ccccc21	303027	KYPQHJODYAIYRX-UHFFFAOYSA-N	243.350	3.546	0	50	BHAA	
c1cc2c3c(c1)CCc1cccc(c1-3)CC2	1845688	XDFUNRTWHPWCKO-UHFFFAOYSA-N	206.288	3.551	0	50	BHAA	in-vitro
CCC[C@H](NC(=O)c1ccco1)c1ccccc1	20600015	PUMSNPURXMQHQB-ZDUSSCGKSA-N	243.306	3.551	0	50	BHAA	
Clc1cc2cccc(Br)c2cn1	71789935	DBTXKDKSTIONNI-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
COc1ccc(-c2nc3ccccc3s2)cc1	163299	AOPZIJQISHFZBN-UHFFFAOYSA-N	241.315	3.972	0	50	BHAA	in-vitro
C[C@@H]1CC2(CCCCC2)[N+]([O-])=Cc2ccccc21	333274	ARBPNYCSPXVPRZ-CYBMUJFWSA-N	243.350	3.826	0	50	BHAA	
CCc1ccccc1NC(=O)C(CC)CC	453172	XJQNEUGHGDNMHS-UHFFFAOYSA-N	219.328	3.624	0	50	BHAA	
CCOC(=O)Oc1ccc(Cl)cc1Cl	1601866	FZPDXWVJKNHDOQ-UHFFFAOYSA-N	235.066	3.529	0	50	BHAA	in-vitro
Cc1cc(C)c(C)c(C(F)(F)F)c1C	71791941	RHQJWCTVEUWNSH-UHFFFAOYSA-N	202.219	3.939	0	50	BHAA	
C[C@@H](F)CCCn1ccc2ccccc21	96032892	KBLOSQQBEUFJES-LLVKDONJSA-N	205.276	3.780	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(Cl)cc2F)cn1	669380634	NTIFLBURLJARTP-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
COc1cc(C(F)(F)F)cc(Cl)c1F	2382189	HROFCMRAPMYLRR-UHFFFAOYSA-N	228.572	3.507	0	50	BHAA	in-vitro
Oc1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1	107876	UPDLUMMMYBRYMJ-UHFFFAOYSA-N	242.322	3.830	0	50	BHAA	
CC(C)COc1cc(F)cc(Br)c1	84192579	QYQBKWNHHSDINF-UHFFFAOYSA-N	247.107	3.623	0	50	BHAA	
CCOC(=O)c1cc2ccc(Cl)cc2s1	91675834	JRYMMKXUODUVOT-UHFFFAOYSA-N	240.711	3.731	0	50	BHAA	in-vitro
c1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1	250646272	LDPJOIMHSJSCFU-JSRQGNBESA-N	241.378	3.601	0	50	BHAA	
COc1ccc(OCc2ccc(Cl)cc2)cc1	566889	AIQKJZOAROTWTH-UHFFFAOYSA-N	248.709	3.928	0	50	BHAA	
Cc1ccc(-c2ccc3[nH]ncc3c2)s1	2547927	CBKCXAJFGJLDKP-UHFFFAOYSA-N	214.293	3.600	0	50	BHAA	in-vitro
Cc1cccc([C@@H](O)c2cccc(Cl)c2)c1	4242614	CRTRHWCMKYOWPL-CQSZACIVSA-N	232.710	3.730	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N2CCCCCC2)c1	4857683	VHBMHAAQZHIXKY-UHFFFAOYSA-N	246.354	3.711	0	50	BHAA	
O=C(O)[C@@H](c1ccccc1)c1ccc(Cl)cc1	6885485	YSPUGNBNEKEGKB-ZDUSSCGKSA-N	246.693	3.557	0	50	BHAA	
Cc1ccc(F)c(-c2cccc(O)c2)c1	65339941	USGSNBHKTIIERV-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
NC(=O)c1ccc(-c2cccc3ccccc23)cc1	147683622	ZUSNIJFJLABSJO-UHFFFAOYSA-N	247.297	3.606	0	50	BHAA	
Cc1cc(Cl)cc2c3c([nH]c12)CCSC3	675075925	GXYNWQNJWCYHCP-UHFFFAOYSA-N	237.755	3.919	0	50	BHAA	
Nc1ccccc1Nc1cncc2ccccc12	1206309246	VEGFYMKVNPHPLN-UHFFFAOYSA-N	235.290	3.561	0	50	BHAA	
ClC1(Cl)C[C@H]1Sc1ccccc1	4262328	DIHSMJVOQUSOTO-MRVPVSSYSA-N	219.136	3.725	0	50	BHAA	in-vitro
Cc1ccc(-c2cc(C)ccc2C(=O)O)cc1	142391392	YNNYPBLQEOZTHO-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
CCCOc1cccc(Cl)c1Cl	146026991	IKOQXOQYJMGWAR-UHFFFAOYSA-N	205.084	3.782	0	50	BHAA	
CC(C)N(C(=O)c1sccc1Cl)C(C)C	258836856	PZTSTBCGOHUNFD-UHFFFAOYSA-N	245.775	3.661	0	50	BHAA	
Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1	285168	BZTAHBIRTCNRAW-FMIVXFBMSA-N	237.302	3.647	0	50	BHAA	in-vitro
C[C@H]1CCOC2(CCC(C(C)(C)C)CC2)O1	451893	YXVMHTMPUCZZEW-DCBWTQNWSA-N	226.360	3.744	0	50	BHAA	
C[C@@H](NC(=O)Nc1ccccc1)c1cccs1	909602	AVXSCMMPYVDWQV-SNVBAGLBSA-N	246.335	3.631	0	50	BHAA	
Cc1ccc(NC(=O)N2CCCC[C@@H]2C)c(C)c1	6731273	ILQILXSKQPOBAQ-ZDUSSCGKSA-N	246.354	3.710	0	50	BHAA	
CCc1ccccc1NC(=O)c1cc(C)oc1C	7724269	GVULVWPZCXDAAF-UHFFFAOYSA-N	243.306	3.711	0	50	BHAA	
Cc1ccc(F)c(Cl)c1Br	205351327	OQYMEYOOGUEZFS-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CC(C)C(=O)Nc1ccccc1-c1ccccc1	250385	AASQSYFHIKUNTB-UHFFFAOYSA-N	239.318	3.948	0	50	BHAA	
Cc1ccc(-c2nc3cc(N)ccc3o2)cc1C	305463	KSNOUVYVRFVJCA-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
COc1ccccc1NC(=O)CCC1CCCC1	362131	HMUQGIIPSIRCIS-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
O=C(Nc1ccc2ccccc2c1)C1CCCC1	1006298	XIZXRLHJPOYROD-UHFFFAOYSA-N	239.318	3.969	0	50	BHAA	
CSc1ccc(-c2ccccc2C(=O)O)cc1	2528974	HOAXWNOCQKCMJT-UHFFFAOYSA-N	244.315	3.774	0	50	BHAA	
Cc1c(C(=O)c2ccccc2)c2ccccc2n1C	1691989	MABIPSJHBDNCKH-UHFFFAOYSA-N	249.313	3.718	0	50	BHAA	
Fc1ccc(CNC2CCCC2)c(Cl)c1	20037014	DKKRHOIERQZPEI-UHFFFAOYSA-N	227.710	3.511	0	50	BHAA	
Fc1ccc(OC(F)F)c(Cl)c1Cl	263624002	MNBYDBVECPAYTF-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1ccc(-c2cn3cc(C)ccc3n2)cc1	23747	AWEWSJJCANQFRB-UHFFFAOYSA-N	222.291	3.618	0	50	BHAA	in-vitro
Nc1ccc(OCc2ccccc2)c(Cl)c1	1081548	WOWKZTBVWKKGJV-UHFFFAOYSA-N	233.698	3.501	0	50	BHAA	in-vitro
Cc1c2ccccc2cc(Cc2ccccc2)[n+]1C	1225192	SRGFBPBBXUXGIJ-UHFFFAOYSA-N	248.349	3.564	0	50	BHAA	
[O-][n+]1c(/C=C/c2ccccc2)ccc2ccccc21	4957491	YBWDUITZTBDOIB-ZRDIBKRKSA-N	247.297	3.644	0	50	BHAA	
O=C(CCC1CCCC1)N1CCc2ccccc21	291493	FFTGNCZNHHBLKP-UHFFFAOYSA-N	243.350	3.546	0	50	BHAA	
Cc1ccc2c3c([nH]c2c1)C(=O)CC(C)(C)S3	309061	NBDZPWNUNWWNAD-UHFFFAOYSA-N	245.347	3.933	0	50	BHAA	
Cc1cccc(-c2ccc(C=O)s2)c1	4312909	BILVVFBPXNLUGU-UHFFFAOYSA-N	202.278	3.536	0	50	BHAA	
Cc1ccc(C2=NN(c3ccccc3)CC2)cc1	5007383	JLFZSOBYCUVGCW-UHFFFAOYSA-N	236.318	3.609	0	50	BHAA	
Cc1cccc2ccn(C(=O)OC(C)(C)C)c12	16124206	CLWLUJSRNYWKRY-UHFFFAOYSA-N	231.295	3.733	0	50	BHAA	in-vitro
CCn1cc(-c2c[nH]c3c(C)cccc23)c(C)n1	67847175	LSWLFZKVZCXVKG-UHFFFAOYSA-N	239.322	3.668	0	50	BHAA	
C1=CC[C@@]23CSC[C@@]2(C1)CC1(CC1)C3	101037431	FGBVDHXKTWZOMH-CHWSQXEVSA-N	206.354	3.630	0	50	BHAA	
CC(=O)c1ccnc(Oc2c(C)cccc2C)c1	953049681	GTCPNEGEYVCLQF-UHFFFAOYSA-N	241.290	3.693	0	50	BHAA	
Cc1cc(Br)cc(Br)c1	138007	DPKKOVGCHDUSAI-UHFFFAOYSA-N	249.933	3.520	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)Oc2ccccc2)cc1C	397206	HGZRMCSLASLWGW-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
Clc1ccnc2cc(Br)ccc12	2583923	JJUTYYVZDKDLBC-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
C1=C[C@@H]2C=C(c3ccccc3)[C@@H]3C=C[C@H]1[C@@H]23	253588882	XRSSQIQMXCVBAC-FQLMCAECSA-N	206.288	3.688	0	50	BHAA	
COc1ccc(Cl)c(F)c1OC1CCCC1	261494449	XVRVFVOVKDNUIB-UHFFFAOYSA-N	244.693	3.809	0	50	BHAA	
Cc1cccc(-c2nc3ccccc3o2)c1	781725	PNVRWCOOQDYUJY-UHFFFAOYSA-N	209.248	3.803	0	50	BHAA	
CC[C@H](C)NCCOc1ccccc1[C@H](C)CC	2821944	QYSLGTNIVKGQRX-KGLIPLIRSA-N	249.398	3.967	0	50	BHAA	
Cc1ccc(C(F)(F)F)c2cccnc12	38537051	MHMJNBHDCKQLKY-UHFFFAOYSA-N	211.186	3.562	0	50	BHAA	in-vitro
CC(C)c1ccc(F)c(Br)c1	65356375	OYMOAKIRZZQCIB-UHFFFAOYSA-N	217.081	3.712	0	50	BHAA	
Clc1cccc2cncc(Br)c12	215772633	UXXDWKJBKXMGSQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
COc1cccc(Cl)c1-c1cccc(C=O)c1	315311316	RFQCJUUWWDJCJQ-UHFFFAOYSA-N	246.693	3.828	0	50	BHAA	
CN(C)C(=O)Oc1ccc2ccccc2c1Cl	79609	IDYSNGDPYWXNRL-UHFFFAOYSA-N	249.697	3.554	0	50	BHAA	
CCOC(=O)Nc1cccc(Cl)c1Cl	253842	PAZOCRRORADPJY-UHFFFAOYSA-N	234.082	3.562	0	50	BHAA	
CCOC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	2759485	UCDAWOWWZUSWFQ-ZIAGYGMSSA-N	246.350	3.651	0	50	BHAA	
CCc1ccc(OCCCCNC(C)(C)C)cc1	2902546	DOBPXCSPCKRQJQ-UHFFFAOYSA-N	249.398	3.796	0	50	BHAA	
CSc1ccc([C@@H](O)c2cccc(C)c2)cc1	4268967	VMJVDULPFXXOPK-OAHLLOKOSA-N	244.359	3.799	0	50	BHAA	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3	14984468	GGHMUJBZYLPWFD-CUZKYEQNSA-N	222.372	3.610	0	50	BHAA	biogenic,in-vitro
C(=C1\CCCc2cccnc21)\c1ccccc1	39204972	MIVJDFRJYARCBN-NTCAYCPXSA-N	221.303	3.959	0	50	BHAA	
c1cnc2c(-c3ccc4[nH]ncc4c3)cccc2c1	67473070	UUEHIZXDQXPICX-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
CC1=CC[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)[C@@H]2CC=C[C@H]12	71786268	IGGNUWDEKXLDLG-VIAGDVCTSA-N	242.362	3.760	0	50	BHAA	
CC(C)OCc1cc(Br)ccc1F	230552335	CRIRHLGGFDBHTA-UHFFFAOYSA-N	247.107	3.513	0	50	BHAA	
Cc1sc2ccccc2c1Br	338991	WFTBGTKQMKDPOQ-UHFFFAOYSA-N	227.126	3.972	0	50	BHAA	
Cc1ccc(OCC(=O)c2ccccc2)cc1C	467179	LYIFHJVGHPOPOW-UHFFFAOYSA-N	240.302	3.565	0	50	BHAA	
c1ccc(OCCCCOc2ccccc2)cc1	1654116	PMVVWYMWJBCMMI-UHFFFAOYSA-N	242.318	3.925	0	50	BHAA	
N[C@H](c1ccccc1)c1cccc2ccccc12	19803993	MKYLPACDIKGXSW-QGZVFWFLSA-N	233.314	3.888	0	50	BHAA	
COc1cncc(-c2ccc(F)cc2Cl)c1	67513723	KLWUDKZIOWFUQN-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
CC(C)c1nccn1-c1cccc2ncccc12	72148997	DHXZJTQXPSAZNT-UHFFFAOYSA-N	237.306	3.544	0	50	BHAA	
CCCOc1ccc(Cl)c(Br)c1	261493869	LBPKUWVZNJPHFF-UHFFFAOYSA-N	249.535	3.891	0	50	BHAA	
Fc1cc(C(F)F)cc(F)c1Br	263625396	ZOLSQZSMNAKPLU-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
c1cc2c(c(-c3cccc4cccnc34)c1)CNC2	713258343	GEDHFIJQHLOVCD-UHFFFAOYSA-N	246.313	3.505	0	50	BHAA	
FC(F)(F)c1ccc2c(Cl)ccnc2c1	39946	LLRQVSZVVAKRJA-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
COc1ccccc1-c1cc2ccccc2[nH]1	480359	GYUBKMFGRAIVMZ-UHFFFAOYSA-N	223.275	3.844	0	50	BHAA	
CC[C@@H](NC(=O)c1cccs1)c1ccccc1	6731126	OKGFKSVKGOXUNO-GFCCVEGCSA-N	245.347	3.629	0	50	BHAA	
CS[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C)o2)C1	110688463	QVTMFWVSLCTHDI-IJLUTSLNSA-N	239.384	3.523	0	50	BHAA	
Cc1nc(-c2ccc3ncccc3c2)nc(C)c1C	1857715341	NQYKXAMVWDETKR-UHFFFAOYSA-N	249.317	3.617	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1cc(C)cc(C)c1	30445	MQRYBWYDDLEVLO-LBPRGKRZSA-N	219.328	3.678	0	50	BHAA	
COc1cccc(-c2nc3cc(C)ccc3o2)c1	450460	GEZFTJBSAPYQBR-UHFFFAOYSA-N	239.274	3.812	0	50	BHAA	biogenic
O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1	4242471	GJWABINSTLSRPY-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	
CC(/C=C/c1ccc2ccccc2c1)=C\C(=O)O	4836995	GGDBPPNSJOGAGG-AOQSKOSGSA-N	238.286	3.884	0	50	BHAA	
C[C@H](CNCCc1ccccc1)c1ccccc1	6176187	ASCNQMRWFQKXSI-OAHLLOKOSA-N	239.362	3.622	0	50	BHAA	
Clc1cc2c(cc1Br)CCC2	212278794	WQPSLWFDAVISIK-UHFFFAOYSA-N	231.520	3.591	0	50	BHAA	
CCCC(C)(C)N(Cc1cccs1)C(C)=O	253393065	PYQRVJJIRNIMNN-UHFFFAOYSA-N	239.384	3.675	0	50	BHAA	
O[C@H]1CCCCCc2ccc(cc2)CCCC1	4530403	MNGDGTJYTVPIDT-INIZCTEOSA-N	232.367	3.877	0	50	BHAA	
O=Cc1ccc(Oc2ccccc2Cl)cc1	11888299	DXWBQHZLDLXBBO-UHFFFAOYSA-N	232.666	3.945	0	50	BHAA	
Oc1ccc(OCc2ccccc2)cc1Cl	113868257	NOMSDLZEVCVWMR-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
CC(C)(C)SCCC(=O)c1ccccc1	130801258	OMQKCOWTTCTHEZ-UHFFFAOYSA-N	222.353	3.791	0	50	BHAA	
Cc1csc(-c2cnc3ccccc3c2)n1	304634709	RECNYMXUBPFRAW-UHFFFAOYSA-N	226.304	3.667	0	50	BHAA	
Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1	369234	UOEZYBJUGPZQGH-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CC(=O)CCc1c(C)c2ccccc2[nH]c1=S	827978	HLLLPSZXWZKWHW-UHFFFAOYSA-N	245.347	3.727	0	50	BHAA	
O=C(O)CCCCCCCCCCCCCO	14510370	JOSXCARTDOQGLV-UHFFFAOYSA-N	244.375	3.745	0	50	BHAA	biogenic,in-vitro
Clc1ccc2[nH]c(Cc3ccccc3)nc2c1	26440430	GOXBDVDMFJVVNM-UHFFFAOYSA-N	242.709	3.807	0	50	BHAA	
COc1cccc(Oc2ccc(Cl)cn2)c1	90345297	WTKRQFKKLJJZIU-UHFFFAOYSA-N	235.670	3.536	0	50	BHAA	
Cc1c(Cl)cccc1Oc1ccc(CN)cc1	702657726	DAEICWPDNPEVLG-UHFFFAOYSA-N	247.725	3.899	0	50	BHAA	
Cc1ccc(-c2cn3ccc(C)cc3n2)cc1	23743	LYFJFTUNFSUVKC-UHFFFAOYSA-N	222.291	3.618	0	50	BHAA	
Cc1ccc(C)c(C(=O)Nc2ccc(F)cc2)c1	514612	ZRXYBRHVENKGNF-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
O=C(O)c1ccc(-c2ccccc2Cl)s1	11730409	NOTFXXFIWUZPOO-UHFFFAOYSA-N	238.695	3.767	0	50	BHAA	
CCOc1ccc(-c2ccc(C(=O)O)s2)cc1	12404908	NZOSRHFNSDDPGE-UHFFFAOYSA-N	248.303	3.512	0	50	BHAA	
C[C@H](CNCc1ccccc1)C1CCCCC1	230577365	CTRCDXITNNVTOI-CQSZACIVSA-N	231.383	3.993	0	50	BHAA	
C[C@H]1CCCC[C@@H]1Oc1ccccc1CCCO	584907142	DPLPACOUWRVFGN-ZFWWWQNUSA-N	248.366	3.569	0	50	BHAA	
Cc1ccccc1C(=O)Oc1cccc(C)c1C	364012	AALPQQSKCYEIEW-UHFFFAOYSA-N	240.302	3.831	0	50	BHAA	
CC(C)(C)C(=O)Nc1cc(Cl)ccc1Cl	401780	ZPLRILFHQDTYAO-UHFFFAOYSA-N	246.137	3.978	0	50	BHAA	
Cc1sc2ncnc(NC3CCCC3)c2c1C	572947	VSOLTOATMZPKRD-UHFFFAOYSA-N	247.367	3.663	0	50	BHAA	
CCCN(Cc1c[nH]c2ccccc12)CC1CC1	761365	LRXKUEUDVQRPJV-UHFFFAOYSA-N	242.366	3.790	0	50	BHAA	
Brc1ccc(-c2ccccn2)cc1	1437363	FBQFCXDBCPREBP-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
Oc1ccc(SCc2ccccc2)cc1	403328	UXMOBLWTCSCLLR-UHFFFAOYSA-N	216.305	3.685	0	50	BHAA	in-vitro
CCCC[C@H](CC(=O)OCC)c1ccccc1	2171102	OFJIDOTWHOWUGE-CQSZACIVSA-N	234.339	3.914	0	50	BHAA	
Cc1cc(C)cc(C(=O)c2ccc(F)c(F)c2)c1	4255043	MIYGBMALQQPSOS-UHFFFAOYSA-N	246.256	3.813	0	50	BHAA	
Fc1ccc(NC(=S)Nc2ccccc2)cc1	5593348	KTNYUNOFVOQYRB-UHFFFAOYSA-N	246.310	3.635	0	50	BHAA	
CCCc1c(C)nc2ccc(C)cc2c1O	15686378	ZGZGUVVYFZXJBQ-UHFFFAOYSA-N	215.296	3.510	0	50	BHAA	
CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1	15778928	NRRWLVIUZOVWTI-CYBMUJFWSA-N	247.338	3.759	0	50	BHAA	
CC(=O)O[C@@H]1C=C2[C@@H](C(C)C)CC[C@@]2(C)CC1	71786657	RMKQOUFWDJNYTO-GZBFAFLISA-N	236.355	3.711	0	50	BHAA	
C(=C/c1ccccc1)\CCc1ccncc1	96027155	KLYPSKPSPXGWLT-XBXARRHUSA-N	209.292	3.728	0	50	BHAA	
CCCSc1nc2ccccc2s1	5310763	CIMWYVHVXVPYOO-UHFFFAOYSA-N	209.339	3.798	0	50	BHAA	
c1csc(CNCc2cccc3[nH]ccc23)c1	15423513	PHNUBHPPTAHJEP-UHFFFAOYSA-N	242.347	3.519	0	50	BHAA	
CC(=O)c1ccc2cc(Br)ccc2c1	43214903	UZDOTHVVSQOCJO-UHFFFAOYSA-N	249.107	3.805	0	50	BHAA	
FC(F)(F)c1cc(Br)cs1	44831783	GTYDKQRTQVTLQC-UHFFFAOYSA-N	231.036	3.529	0	50	BHAA	in-vitro
COc1ccc(C2=CC=CC=CC=C2)cc1	45027683	AMYRKXBTSNCKKT-UHFFFAOYSA-N	210.276	3.761	0	50	BHAA	
C=C(Br)c1ccc(Cl)cc1	57989964	ZVDIEXFKTMIHIU-UHFFFAOYSA-N	217.493	3.706	0	50	BHAA	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]13)[C@]42C	60272736	XBWACJDEQIZTPR-YIZGKYRPSA-N	204.357	3.961	0	50	BHAA	
Fc1cc(Cl)cc(NCc2ccco2)c1	124899633	NPPKKNDVDRAVBU-UHFFFAOYSA-N	225.650	3.684	0	50	BHAA	
CC(C)(C)[C@@H]1C[C@@H]2O[C@@H]2[C@H]([Si](C)(C)C)C1	224923555	NOBFKOZQKMCAJZ-KXNHARMFSA-N	226.436	3.918	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2Cl)cc1	127869	FQXZMVOAMZLASB-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
COc1cccc2c1oc1c(OC)cccc12	4798822	MVIMTESQBSTMJV-UHFFFAOYSA-N	228.247	3.603	0	50	BHAA	
CCc1cc(C(=O)O)c2c(c1)C(C)=CC(C)(C)N2	20134407	NYBZVKNLJUZWBV-UHFFFAOYSA-N	245.322	3.555	0	50	BHAA	
CC(C)[C@](O)(C1CC1)C1([Si](C)(C)C)CC1	169829315	SBMWDHOMVILEQU-ZDUSSCGKSA-N	226.436	3.656	0	50	BHAA	
Cc1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1	426428925	SDEXDAPPKJEXKM-HNNXBMFYSA-N	242.322	3.558	0	50	BHAA	
Clc1ccc2[nH]c(-c3ccccc3)nc2c1	361027	JDNIQOQUBXARKT-UHFFFAOYSA-N	228.682	3.883	0	50	BHAA	
Cc1ccc(C)c(OC(=O)/C=C/c2ccco2)c1	505146	VTXLTVSRGCJGGG-BQYQJAHWSA-N	242.274	3.515	0	50	BHAA	
FC(F)(F)c1cccc([C@@H]2CCCCN2)c1	2577411	LNGYJPKFIYPWIT-NSHDSACASA-N	229.245	3.520	0	50	BHAA	in-vitro
CC(C)=CCC[C@H](C)NCCC[C@H]1CCOC1	20999765	WXWCRVKRXILBDY-GJZGRUSLSA-N	239.403	3.528	0	50	BHAA	
C[C@H](N)c1ccc(-c2ccccc2)c(F)c1	140091555	RXTZOBNPYLZNKA-JTQLQIEISA-N	215.271	3.512	0	50	BHAA	
c1ccc(CNC[C@@H]2CC3CCC2CC3)cc1	306797490	YIBNFBLYOCPILJ-BCLQGDPASA-N	229.367	3.603	0	50	BHAA	
FC(F)(F)c1cc(Cl)c2ccccc2n1	157246	ONNDFDQMHCNEGF-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
Fc1ccc(Br)cc1C(F)(F)F	2584342	AJLIJYGWAXPEOK-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Cc1cc(C)cc([C@H](O)c2ccc(F)cc2)c1	4255617	JZKVGVUPHRDZIT-OAHLLOKOSA-N	230.282	3.524	0	50	BHAA	
CCOC1=N[C@@]23CC=CC[C@@]12CCCCCC3	71785347	SWTLCXVJRROOMT-GJZGRUSLSA-N	233.355	3.864	0	50	BHAA	
Clc1ccnc2cc(Br)sc12	72193763	XMZQZXNHMUDHNZ-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
COc1cc(F)c(C(C)C)cc1Br	95627661	CPPYOHQHPFTBON-UHFFFAOYSA-N	247.107	3.720	0	50	BHAA	in-vitro
CC(=O)c1cc(C)cc2c1NC(C)(C)C[C@H]2C	334160497	FYFDLWVGNZZVGA-SNVBAGLBSA-N	231.339	3.895	0	50	BHAA	
COc1ccc(/C=C/c2ccc(OC)cc2)cc1	34683	CAWFCZIEFIQKRV-ONEGZZNKSA-N	240.302	3.874	0	50	BHAA	
C[C@@H]1CCC[C@@H](OC(=O)NC2CCCCC2)C1	401718	ZSWOWLYGELNBNI-DGCLKSJQSA-N	239.359	3.624	0	50	BHAA	
CC[C@H](C(=O)N1CCCC[C@H]1C)c1ccccc1	444020	IGSQQCDDDKDUEQ-HIFRSBDPSA-N	245.366	3.581	0	50	BHAA	
Cc1ccc(OCc2ccc(F)cc2)c(C=O)c1	1058675	PDXFCFKNNLGRRR-UHFFFAOYSA-N	244.265	3.526	0	50	BHAA	
CC1(C)CC(=O)C(C)(C)[C@@H]2CC=CC[C@@H]21	3132627	KZNJYJXYVKMPNC-WDEREUQCSA-N	206.329	3.594	0	50	BHAA	
C[C@@](O)(c1ccccc1)c1ccc(Cl)cc1	34245416	MHJLXHJZQCHSIT-CQSZACIVSA-N	232.710	3.596	0	50	BHAA	
Cc1ccccc1-c1ccc(O)c(F)c1	65340684	FMQXMSBGLWNNOU-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
Cc1nc2cc(-c3ccccc3)ccc2o1	119958	CHZDPBVCBBQQRP-UHFFFAOYSA-N	209.248	3.803	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)NC2CCCCC2)c1C	396632	SRWMPXSNGNDMPQ-UHFFFAOYSA-N	246.354	3.758	0	50	BHAA	
O=C1c2ccccc2CCc2sc(Cl)cc21	480860	VZNOUGAHSACVEI-UHFFFAOYSA-N	248.734	3.731	0	50	BHAA	
CCCCOC(=O)Nc1cc(C)cc(C)c1	1770649	SIYPHHPDSBACIU-UHFFFAOYSA-N	221.300	3.652	0	50	BHAA	
NCc1ccc(Oc2ccccc2Cl)cc1	2513167	LCYFTPJABNHFCH-UHFFFAOYSA-N	233.698	3.591	0	50	BHAA	in-vitro
c1ccc2c(c1)[C@@H]1CCC[C@@H]3CCCN2[C@H]13	4532301	CGZZLBWDQKRDNU-ZLDLUXBVSA-N	213.324	3.553	0	50	BHAA	
COc1ccc(SCc2ccccc2)cc1	96024775	GGUMXGHTTKUDNB-UHFFFAOYSA-N	230.332	3.988	0	50	BHAA	
C=C(c1ccccc1)c1ccc(OC)cc1	1045594	DOLKMMRRGVRVFW-UHFFFAOYSA-N	210.276	3.757	0	50	BHAA	
CCCCNC(=O)Nc1ccc(C(C)C)cc1	4532387	ZHDHSFDRWZDHCW-UHFFFAOYSA-N	234.343	3.732	0	50	BHAA	
CCOc1cccc(CNC2CCCCC2)c1	6703599	QRTACVZZSZIGGY-UHFFFAOYSA-N	233.355	3.508	0	50	BHAA	
Cc1cc(Br)c(Cl)cc1S	36533065	JRMMXFZBMJHVFN-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
O=C(OC[C@H]1CCCC(F)(F)C1)C1CCCC1	225731870	JKXIDUGVIQNYFE-JTQLQIEISA-N	246.297	3.545	0	50	BHAA	
Fc1cc(Cl)c(Cl)c(OC(F)F)c1	263624557	ROJAGIGPJWFNFB-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
COCC[C@@H](C)Nc1cccc2ccsc12	381648172	CITDRIQXMRWQIZ-SNVBAGLBSA-N	235.352	3.738	0	50	BHAA	
C[C@H]1CCCC[C@@H]1CCNCc1ccccc1	720412491	ABVHCAJEERDSAJ-GOEBONIOSA-N	231.383	3.993	0	50	BHAA	
CCCCc1ccc(NC(=O)C(F)(F)F)cc1	1615586	LBWHWIKUWMDJLJ-UHFFFAOYSA-N	245.244	3.530	0	50	BHAA	
C[C@@H]1CC[C@@H](c2cn(C)c3ccccc23)C(=O)C1	4709852	HETUGDMZJTWSEZ-YPMHNXCESA-N	241.334	3.651	0	50	BHAA	
CC[C@H](C)n1c(=S)[nH]c2ccccc21	5686611	IFMGTBLINHVYGN-QMMMGPOBSA-N	206.314	3.670	0	50	BHAA	
Clc1ccc(-c2nc3ccccc3o2)cn1	8729888	XJWQTNSNYCTDNN-UHFFFAOYSA-N	230.654	3.543	0	50	BHAA	
COc1ccc(C(C)=O)cc1-c1ccccc1	12879635	CDAYYHVTEXXQJQ-UHFFFAOYSA-N	226.275	3.565	0	50	BHAA	in-vitro
Cc1cccc(C)c1-c1ccc2c(c1)CCN2	33487690	BJTXJWHVSAAQJQ-UHFFFAOYSA-N	223.319	3.938	0	50	BHAA	in-vitro
O=C1Nc2ccccc2[C@@H]2C[C@@H]2c2ccccc21	43761815	PFMLZXOFEKJTIR-KGLIPLIRSA-N	235.286	3.523	0	50	BHAA	
CCCc1ccccc1OCCNCCC(C)C	96026807	FRPMTGMJARIGEU-UHFFFAOYSA-N	249.398	3.654	0	50	BHAA	
Brc1ccc(Nc2cccnc2)cc1	114939045	JGYIUTCUZFKMAI-UHFFFAOYSA-N	249.111	3.588	0	50	BHAA	
Cc1cc(-c2ccc3sc(C)nc3c2)ccn1	1240716970	LPLWNEJDCGMQEA-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc(CF)cc1	1775955615	LAAMLBQCOMULFB-UHFFFAOYSA-N	225.263	3.503	0	50	BHAA	
Nc1cccc(-c2nc3ccccc3s2)c1	122909	MKMRZZJJDIBAJF-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	in-vitro
Cc1ccc(-c2cnc3n2CCCCC3)cc1	245556	KGLVKZKEMQNUEJ-UHFFFAOYSA-N	226.323	3.585	0	50	BHAA	
C/C=C/COc1ccc(C)cc1Br	2167719	NCMAAGAGTAXMLH-ONEGZZNKSA-N	241.128	3.712	0	50	BHAA	
CC[C@H](C)c1ccccc1NC(=O)C1CC1	8383030	SMXMLARDFQTTRU-JTQLQIEISA-N	217.312	3.549	0	50	BHAA	
CCCCOc1ccc(NC(=O)CC(C)C)cc1	11990450	QADXKCLAJOYNPL-UHFFFAOYSA-N	249.354	3.850	0	50	BHAA	
COC(=O)c1ccccc1-c1cc(C)cc(C)c1	97757213	XNPYPAIVLXZZDY-UHFFFAOYSA-N	240.302	3.757	0	50	BHAA	
C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1	323	SYTBZMRGLBWNTM-JTQLQIEISA-N	244.265	3.681	0	50	BHAA	biogenic,fda
Cc1nc(Cl)c2c3c(sc2n1)CCCC3	78270	VBBUCJFANWYVMU-UHFFFAOYSA-N	238.743	3.532	0	50	BHAA	in-vitro
CCCCNC(=O)Nc1cccc2ccccc12	1738717	KGTCAUPNMGXMDM-UHFFFAOYSA-N	242.322	3.761	0	50	BHAA	
O=C(O)c1cccc(-c2ccc3[nH]ccc3c2)c1	2513025	VKHHKQSCGXEKEE-UHFFFAOYSA-N	237.258	3.533	0	50	BHAA	in-vitro
CCc1ccccc1OCCCN1CCCCC1	5658666	FZJVPQRKPGVXNF-UHFFFAOYSA-N	247.382	3.504	0	50	BHAA	
CCc1ccc([C@H](C)NC(=O)C2CCCC2)cc1	6730118	MCHZHPCOKDKRMX-LBPRGKRZSA-N	245.366	3.616	0	50	BHAA	
CC(C)Oc1ccc(NC(=O)C2CCCC2)cc1	40122329	HWGNFYJUVHMSKU-UHFFFAOYSA-N	247.338	3.603	0	50	BHAA	
COc1ccc(-c2ncncc2C(C)C)c(C)c1	67727219	WVGVZPNGZOQPNT-UHFFFAOYSA-N	242.322	3.584	0	50	BHAA	
CC[C@H](NC(=O)C1CCCC1)c1ccccc1C	72119415	DONLJZOWNFOASN-HNNXBMFYSA-N	245.366	3.753	0	50	BHAA	
CC(C)(C)NC(=O)Sc1ccc(Cl)cc1	398656	RYOPMQHVUJPFBM-UHFFFAOYSA-N	243.759	3.940	0	50	BHAA	
CSc1ccc(-c2ccccc2N)cc1	2528977	XHACECRHUMLJDO-UHFFFAOYSA-N	215.321	3.658	0	50	BHAA	in-vitro
Cc1cc(Cl)cc(Br)c1S	36533068	XLBXODKIWOQWFA-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
CCC[C@@H]1C[C@@H](c2csc(C)n2)CCO1	295470	FNRAFLQGZOWCQJ-WDEREUQCSA-N	225.357	3.514	0	50	BHAA	
O=C(Nc1ccccc1)NC1CCCCCCC1	370203	LXAASQGGBTWWPG-UHFFFAOYSA-N	246.354	3.921	0	50	BHAA	
Cc1ccc([C@@H]2CCC[C@@H](CC(=O)O)C2)cc1	392280	WHSXOWGHZWMPER-TZMCWYRMSA-N	232.323	3.744	0	50	BHAA	
CSc1ccccc1NC(=O)c1ccc(C)o1	1054227	UPLBRSHRZGEKMR-UHFFFAOYSA-N	247.319	3.562	0	50	BHAA	
CCOC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	2759484	UCDAWOWWZUSWFQ-KGLIPLIRSA-N	246.350	3.651	0	50	BHAA	
CCc1ccccc1N1Cc2ccccc2C1=N	4116973	QKTISUUKCPDFFF-UHFFFAOYSA-N	236.318	3.595	0	50	BHAA	
CCC[C@H](C)c1nc2c(cnn2[C@@H](C)C(C)C)[nH]1	48435840	VTMGZWVZVKQCDO-QWRGUYRKSA-N	248.374	3.880	0	50	BHAA	
COc1cccc2ccc(Br)cc12	71256631	BTPIORDWKIZDNM-UHFFFAOYSA-N	237.096	3.611	0	50	BHAA	
c1ccc(CNC[C@H]2CC3CCC2CC3)cc1	306797487	YIBNFBLYOCPILJ-AVVWSFFYSA-N	229.367	3.603	0	50	BHAA	
CC(C)=CCC[C@H](C)C[C@H]1OC[C@H](C)O1	4991099	LSKGUOZAKOLOMT-AVGNSLFASA-N	212.333	3.520	0	50	BHAA	
C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1	244948	ABMVKTZVISYDNS-GFCCVEGCSA-N	240.306	3.569	0	50	BHAA	
CCOc1ccc(NCc2ccccc2)cc1	251456	ZAUVBVZMMZMKSQ-UHFFFAOYSA-N	227.307	3.697	0	50	BHAA	in-vitro
O=c1cc(Nc2ccccc2)c2ccccc2o1	272787	BOHONKNXXMHSHO-UHFFFAOYSA-N	237.258	3.537	0	50	BHAA	biogenic
Nc1ccc2c(c1)Oc1ccccc1C=C2	1235091	WPLLFHWVTWVHAF-UHFFFAOYSA-N	209.248	3.545	0	50	BHAA	
CCCCC(=O)N(Cc1ccccc1)C(C)C	2852856	IJQFZDFNBMBILF-UHFFFAOYSA-N	233.355	3.614	0	50	BHAA	
Clc1cc(Cl)cc(-c2nc(Cl)no2)c1	158585678	CKGXPHLXWKGJKA-UHFFFAOYSA-N	249.484	3.697	0	50	BHAA	
CC(C)CC(=O)Nc1ccccc1C(F)(F)F	30419	MXUICWQECRAXGO-UHFFFAOYSA-N	245.244	3.690	0	50	BHAA	
Nc1nc(-c2ccc3ccccc3c2)cs1	35850	GWDNDNTTXIIXRS-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	in-vitro
O=Cc1ccccc1OC/C=C/c1ccccc1	6529046	ZDEVBWDPWMNWHA-RMKNXTFCSA-N	238.286	3.591	0	50	BHAA	
CCc1ccc(Nc2ccccc2C(=O)O)cc1	34286413	MUCDJIXUVULPDP-UHFFFAOYSA-N	241.290	3.691	0	50	BHAA	
CC(=O)c1c(C)c(Cl)cc(C)c1Cl	72267217	XWFCYZDVVZNOKA-UHFFFAOYSA-N	217.095	3.813	0	50	BHAA	
CSc1ccc(/C=C(\C)c2cnccn2)cc1	180381520	DMEKLVVHTUZQNF-PKNBQFBNSA-N	242.347	3.759	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1c(C)cccc1C	30738	RAFFEBDPHSRLMS-LBPRGKRZSA-N	219.328	3.678	0	50	BHAA	
Cc1cc(C)c(NC(=O)c2ccc(C)o2)c(C)c1	376499	IYTUWESMDGWPCG-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
O=C(O)c1cc2sc3ccccc3c2s1	480772	HJMXTNQVXZTBHZ-UHFFFAOYSA-N	234.301	3.814	0	50	BHAA	
Clc1nc(NC2CCCC2)c2ccccc2n1	2727318	YCCXJVOVAPQYEQ-UHFFFAOYSA-N	247.729	3.638	0	50	BHAA	
Cc1ccc(F)c2c(C=O)c(C(C)(C)C)[nH]c12	3675641	QGJDESBCEXBHLO-UHFFFAOYSA-N	233.286	3.725	0	50	BHAA	
CCc1ccc(F)c(OCc2ccccc2)c1	1249930468	BKIYTAHLOFDKNE-UHFFFAOYSA-N	230.282	3.967	0	50	BHAA	
Fc1ccc(CCc2ccc(F)cc2)cc1	83431	PYRSXVQXDHTFMW-UHFFFAOYSA-N	218.246	3.750	0	50	BHAA	in-vitro
C[C@@H](C(=O)c1ccccc1)c1ccccc1	1675703	CQLXSFDDEBUZQZ-GFCCVEGCSA-N	210.276	3.673	0	50	BHAA	
COc1cccc(OCCCSC(C)C)c1	2885638	YOCVURBUADDYAF-UHFFFAOYSA-N	240.368	3.606	0	50	BHAA	
CC(=O)c1ccc(OCc2ccccc2C)cc1	4342697	KZVLLUQPERUMCL-UHFFFAOYSA-N	240.302	3.777	0	50	BHAA	
CC[C@@H](NC(=O)C1CCCCC1)c1ccccc1	6725389	ODMSVQKUBVDAQL-OAHLLOKOSA-N	245.366	3.834	0	50	BHAA	
COc1ccc(NC2(C)CCCCC2)cc1	257355112	MKOOEFNETIIRBU-UHFFFAOYSA-N	219.328	3.830	0	50	BHAA	
CN(C)[C@H]1CC2c3ccccc3C1c1ccccc12	3128019	HUKGTWSKXZFLIC-ADKAHSJRSA-N	249.357	3.598	0	50	BHAA	
C[C@@H](CNC1CCCCC1)c1ccccc1	10436519	JJLPWUZUUANXLI-ZDUSSCGKSA-N	217.356	3.712	0	50	BHAA	
C[C@H]1C[C@@H]2C[C@@]34C=CC[C@@H]3CC[C@H]4[C@@]2(C)C1=O	71786397	DWQHJENFMHTEFG-OUCVOORDSA-N	230.351	3.594	0	50	BHAA	
FC(F)(F)[C@@H]1C=C1CCc1ccccc1	95629980	BMFQMGCNKUOGQF-LLVKDONJSA-N	212.214	3.738	0	50	BHAA	
Cc1occc1-c1noc(/C=C2/CC[C@H](C)C2)n1	331603707	PJUQELGGKHFPEF-ANHFWZFOSA-N	244.294	3.841	0	50	BHAA	
CCc1ccc(C2=C/C(=C/C(=O)O)CCC2)cc1	395744	RIBUDJRJSPBGEK-ACCUITESSA-N	242.318	3.827	0	50	BHAA	
CCC(CC)C(=O)N[C@@H](C)CCc1ccccc1	2774298	CAOIJKUTGJQLIX-ZDUSSCGKSA-N	247.382	3.560	0	50	BHAA	
CC(C)CCNC(=O)Nc1ccc(Cl)cc1	2876636	VCIMNHWBYYUSPS-UHFFFAOYSA-N	240.734	3.508	0	50	BHAA	
CC(=O)c1ccc(Oc2ccc(F)cc2F)cc1	4255274	RGXSGIKEBHONGU-UHFFFAOYSA-N	248.228	3.960	0	50	BHAA	
Cc1cc(Br)ccc1C(F)(F)F	66329341	NJDGQPXHSKERCP-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
CC(C)(O)c1cc(Cl)c(Cl)cc1Cl	143840076	XDPGORCCJPPGPA-UHFFFAOYSA-N	239.529	3.874	0	50	BHAA	
CCc1cccc(Nc2ccc(C(C)=O)cn2)c1	2325871948	AWEWNBZUDSCACT-UHFFFAOYSA-N	240.306	3.590	0	50	BHAA	
Nc1cc(Cl)c(Cl)c(Cl)c1Cl	158342	GBKZRUCVLTWAML-UHFFFAOYSA-N	230.909	3.882	0	50	BHAA	
COc1ccc(NC(=O)OC2CCCCC2)cc1	395242	IUHQJZBEGXGTSG-UHFFFAOYSA-N	249.310	3.576	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1	4426808	UTMHMVRIQVFQML-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
O=C(CCNc1ccccc1F)c1ccccc1	12375866	NIHYQPOBIMHJEH-UHFFFAOYSA-N	243.281	3.511	0	50	BHAA	
Clc1cnc2c(Cl)nccc2c1Cl	72194094	QNHPZTLZDZFQAO-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	in-vitro
Cc1cc(Cl)c(OC(C)C)cc1F	261494149	QZIGZXCRXOYKIH-UHFFFAOYSA-N	202.656	3.575	0	50	BHAA	
CC(C)CCC[C@@H](C)NC(=O)c1ccccc1	5284513	RBXYZSRXTQLYRB-CYBMUJFWSA-N	233.355	3.631	0	50	BHAA	
Cc1nc2ccc(Nc3ccncc3)cc2s1	11535866	XZZLVVYVUYGRKR-UHFFFAOYSA-N	241.319	3.743	0	50	BHAA	
CC(C)=CCC[C@@H](C)NCCc1ccc(O)cc1	32581057	MXTSUPIROMPXDL-CQSZACIVSA-N	247.382	3.659	0	50	BHAA	
CC(C)=CCC[C@@H](C)NCCCc1ccccn1	20868135	ZLPRKPQZCJMINH-OAHLLOKOSA-N	246.398	3.739	0	50	BHAA	
CC(C)c1cc(N)ccc1Oc1ccc(N)cc1	141706362	AKRFRVVYBHQQKM-UHFFFAOYSA-N	242.322	3.767	0	50	BHAA	
C[C@@H]1CSC(Nc2cccc3ccccc23)=N1	438125	FHUXJTBOEVJJIA-SNVBAGLBSA-N	242.347	3.743	0	50	BHAA	
CCc1cccc(CC)c1Br	2147036	FPWGIABDOFXETH-UHFFFAOYSA-N	213.118	3.574	0	50	BHAA	
CCCSC(=O)Nc1ccc(C)cc1	2171850	CNDUMKAKFOVFHX-UHFFFAOYSA-N	209.314	3.670	0	50	BHAA	
CCC(CC)(CC)c1ccc(C(=O)O)cc1	7023242	XLGRGWYFHBCAEX-UHFFFAOYSA-N	220.312	3.853	0	50	BHAA	
COc1ccc2c(Cl)cc(Cl)nc2c1	19045867	XHKVDLMHZLUDSK-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	in-vitro
Oc1ccc(-c2cc3ccccc3s2)nc1	65355896	RTRDZUIOYHWHQF-UHFFFAOYSA-N	227.288	3.669	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(F)cc2C=O)c(C)c1	235896197	DDESQQNCOIDCHW-UHFFFAOYSA-N	228.266	3.922	0	50	BHAA	
FCCCCNc1ccc(-c2ccon2)cc1	901483783	NKFFYOXBMIROLM-UHFFFAOYSA-N	234.274	3.503	0	50	BHAA	
Clc1ncc(Br)c2ccccc12	331125	HRWILRGBDZGABZ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
O=C(OCc1ccccc1)c1ccc(Cl)cc1	564411	VBIOKGVOQMIBHO-UHFFFAOYSA-N	246.693	3.697	0	50	BHAA	
CCCCn1c(-c2cccc(C)c2)n[nH]c1=S	2853921	PIYZWEZUOQOZDX-UHFFFAOYSA-N	247.367	3.716	0	50	BHAA	
Cc1ccc2c(NC(=O)C(C)(C)C)cccc2n1	6703070	ZMCJVOHMQQDQKG-UHFFFAOYSA-N	242.322	3.528	0	50	BHAA	
C=C[C@H](CCC(=C)C)[C@H](C(=O)O)C(C)C	43198921	CXLKJULDNNMQCF-VXGBXAGGSA-N	210.317	3.502	0	50	BHAA	
CCC(C)(C)[C@@H]1CCC(=O)C[C@@H]1SC	725358970	ARBOCMLOWWDZOW-MNOVXSKESA-N	214.374	3.523	0	50	BHAA	
Cc1cccc(-c2nnc(-c3ccccc3)o2)c1	60567	CTNBTTIMTWNDOW-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
Cc1ccccc1C(=O)Nc1ccccc1Cl	142474	HWQWAAOWHZRMQM-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CSc1cccc(NC(=O)c2ccccc2)c1	363446	LVZMJTXFNSURPD-UHFFFAOYSA-N	243.331	3.661	0	50	BHAA	
C(=C/c1ccccc1)\Cn1cnc2ccccc21	494341	HRTNGSCQAGSUOB-RMKNXTFCSA-N	234.302	3.750	0	50	BHAA	
COC(=O)c1ccccc1-c1ccc(Cl)cc1	1260542	XBEHQYYSOYTBFQ-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
CC(C)c1ccc(CCC(=O)NC(C)(C)C)cc1	10358413	OVWAJQSPNGUVRB-UHFFFAOYSA-N	247.382	3.657	0	50	BHAA	
Fc1cccc([C@@H]2CCCN2c2nccs2)c1	917093971	ZUYATRSHYVHJLT-LBPRGKRZSA-N	248.326	3.624	0	50	BHAA	
Cc1ccccc1NC(=O)N(C)C1CCCCC1	396693	MCAHCVYDLQQNEL-UHFFFAOYSA-N	246.354	3.791	0	50	BHAA	
Fc1ccc(Oc2ccc(F)cc2)cc1	403996	UUKHFGSOCZLVJO-UHFFFAOYSA-N	206.191	3.757	0	50	BHAA	biogenic,in-vitro
Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1	409444	YBBIPFDVALUSBL-UHFFFAOYSA-N	231.339	3.616	0	50	BHAA	
Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1	2574121	XREKLJQACWAWSV-UHFFFAOYSA-N	237.224	3.955	0	50	BHAA	
CCCCC(=O)NC[C@@H](CC)CCCC	2749689	DDCHZGHPXAAQOZ-LBPRGKRZSA-N	213.365	3.509	0	50	BHAA	
CC1O[C@@H]2c3ccccc3-c3ccccc3[C@H]2O1	43214963	VRYLVKXWBJOCBU-HZPDHXFCSA-N	238.286	3.842	0	50	BHAA	
C[Si](C)(C)[C@]12C[C@@H]3c4ccccc4[C@@H]1[C@@H]32	216455207	RAVBWLMGHFXDGK-AAVRWANBSA-N	214.384	3.980	0	50	BHAA	
Cc1ccc(-c2ccsc2C=O)cc1F	669384831	IHWIOKMDMJSXKJ-UHFFFAOYSA-N	220.268	3.675	0	50	BHAA	
Cc1ccc(O)c(C(=O)c2ccccc2Cl)c1	58228	BXAARESMPHIJGG-UHFFFAOYSA-N	246.693	3.585	0	50	BHAA	
CCc1ccccc1NC(=O)N(C(C)C)C(C)C	397037	IBFXGXVQDAZNHM-UHFFFAOYSA-N	248.370	3.900	0	50	BHAA	
c1cc2cn[nH]c2cc1NCC1CCCCC1	757104	VIZWJQGEGRJXOX-UHFFFAOYSA-N	229.327	3.555	0	50	BHAA	
CCCCNC(=O)Nc1cc(Cl)ccc1C	1640168	JXCIKCXHNLUAQD-UHFFFAOYSA-N	240.734	3.570	0	50	BHAA	
Nc1cccc(-c2cccc(Cl)c2)c1	2574111	GXRVJJBIJVHXOO-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
Oc1ccc(-c2cc(=S)ss2)cc1	29125765	IWBBKLMHAILHAR-UHFFFAOYSA-N	226.347	3.912	0	50	BHAA	in-vivo
CCC[C@H](CC(=O)O)c1ccc(Cl)cc1	36139895	GSSBSZFPTQRYBV-SNVBAGLBSA-N	226.703	3.698	0	50	BHAA	
c1ccc(-c2nc3cccc4c3n2CCC4)cc1	49826836	WXZZNBCXSPSDCF-UHFFFAOYSA-N	234.302	3.650	0	50	BHAA	
CC(C)COc1ccc(F)c(Cl)c1	142608625	PHKIXLDFJWJZAX-UHFFFAOYSA-N	202.656	3.514	0	50	BHAA	
O=C1CCc2cc(-c3ccc4cc[nH]c4c3)ccc21	644615099	IOMYBRJMNQEWIC-UHFFFAOYSA-N	247.297	3.964	0	50	BHAA	
CC[C@@H](C(=O)O)C1CCC(C(C)C)CC1	685951466	KUPZURDMKSHJCH-HTAVTVPLSA-N	212.333	3.560	0	50	BHAA	
CCCCNCCCOc1ccccc1C(C)C	2900003	WVJVONGHOAXOKN-UHFFFAOYSA-N	249.398	3.969	0	50	BHAA	
CCc1cccc(OCCCCN(CC)CC)c1	3003236	MZZRGZQDKSSXQR-UHFFFAOYSA-N	249.398	3.750	0	50	BHAA	
Fc1ccc(-c2csc(Cl)n2)cc1	12505798	WXAGIWOTZPAABI-UHFFFAOYSA-N	213.664	3.603	0	50	BHAA	in-vitro
Clc1ccc2ccc(Br)cc2n1	12647646	MOEWRAKNXMILKB-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CCc1cnc(C)nc1-c1cnc2ccccc2c1	67447178	IHQWVHHQCFTFPI-UHFFFAOYSA-N	249.317	3.563	0	50	BHAA	
c1ccc(COCCCCc2nccs2)cc1	82134727	HHYOPLBMHILZBV-UHFFFAOYSA-N	247.363	3.683	0	50	BHAA	
CCC[C@]1(NC)C(C)(C)[C@H]2CC[C@@]1(C)C2	216002573	OUTQBPCFUIFUFX-UBHSHLNASA-N	209.377	3.591	0	50	BHAA	
CCCN(CCC)C(=O)c1ccc(Cl)cc1	272067	XKGIVKGUUFHCHB-UHFFFAOYSA-N	239.746	3.602	0	50	BHAA	
Clc1ccc2nc(Br)sc2c1	14984954	SWCKCAROSKGHBI-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
CCCc1sc(N)nc1-c1cc(C)ccc1C	19093899	JPNWXDMIUJSCCS-UHFFFAOYSA-N	246.379	3.962	0	50	BHAA	
CC(=O)Nc1ccc(C)c(N[C@@H](C)CC2CC2)c1	164391569	QEHGJKZQJGXZGB-NSHDSACASA-N	246.354	3.554	0	50	BHAA	
CC1=Nc2c(Br)cccc2C1(C)C	164513964	XOJIBYMUAAIIGI-UHFFFAOYSA-N	238.128	3.833	0	50	BHAA	
C[C@@H]1Nc2ccccc2N=C1c1ccccc1	219037782	NTZQTKGPRPAFNW-NSHDSACASA-N	222.291	3.621	0	50	BHAA	
C[C@@H]1CCCC[C@H]1Oc1cccc(CCCO)c1	584907147	JJZSJNNKXMZXAQ-CZUORRHYSA-N	248.366	3.569	0	50	BHAA	
c1ccc(COc2nc3ccccc3s2)cc1	400016	SOLSYGDSWDVKTG-UHFFFAOYSA-N	241.315	3.875	0	50	BHAA	
CNCc1ccccc1Oc1ccc(Cl)cc1	34833761	RIJHAFWKICFLDW-UHFFFAOYSA-N	247.725	3.852	0	50	BHAA	
C[C@@H](CC1=NCCCS1)c1ccccc1	71773841	MMTVFSVLUDWMKC-NSHDSACASA-N	219.353	3.716	0	50	BHAA	
CCn1nc(C2CC2)nc1-c1cc(C)c(C)s1	96150489	HKCXQMTUDZJODZ-UHFFFAOYSA-N	247.367	3.521	0	50	BHAA	
Fc1ccc([C@@H]2CCN(CC3CCCC3)C2)cc1	97425545	JJUDALMSKMJRTE-OAHLLOKOSA-N	247.357	3.805	0	50	BHAA	
CS[C@@H]1CC[C@H](N[C@H](C)c2cccs2)C1	110688444	XZROYVVUEVTCOQ-OUAUKWLOSA-N	241.425	3.683	0	50	BHAA	
FC1(F)CCc2[nH]c3c(Cl)cccc3c2C1	675076059	JTDRODGWRVOLFR-UHFFFAOYSA-N	241.668	3.945	0	50	BHAA	
CC(C)(C)c1nccc(Nc2cccc(F)c2)n1	1173835270	HGTBGBOGIJDWKY-UHFFFAOYSA-N	245.301	3.657	0	50	BHAA	
Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1	126163	AJQYSKAABYAZGP-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
Cc1ccc(C)c(NC(=O)c2ccccc2F)c1	258938	VGOAVJOZHOGZBQ-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
ClC1(Cl)SC(Cl)(Cl)S1	4085740	QIULAHZFLGCCFQ-UHFFFAOYSA-N	229.968	3.644	0	50	BHAA	
Brc1ccccc1[C@@H]1C[C@@H]1C1CC1	117155455	JFEKQFAEQBOBIU-MNOVXSKESA-N	237.140	3.963	0	50	BHAA	
Cc1cc(O)c(C(C)(C)C)cc1C(=O)C(C)C	129731999	FEWWTHVKLSPOHF-UHFFFAOYSA-N	234.339	3.837	0	50	BHAA	
C[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CC=CC1	225634439	ZKSFCAYXYTVXDI-ZOBORPQBSA-N	219.372	3.509	0	50	BHAA	
CCCCOc1nccc(Cl)c1Cl	261494219	SBNCPSNOJKQQDE-UHFFFAOYSA-N	220.099	3.567	0	50	BHAA	
CCc1ccccc1-c1csc(C=O)c1	669384683	BCZLGTMEGNZDGP-UHFFFAOYSA-N	216.305	3.790	0	50	BHAA	
CCCCc1ccc(-c2csc(N)n2)cc1	2108855	KILDHSZPKYDKJP-UHFFFAOYSA-N	232.352	3.735	0	50	BHAA	in-vitro
CC(=O)c1ccc2c(c1)CCc1ccccc1-2	1641032	JLABAJAYOGFVQR-UHFFFAOYSA-N	222.287	3.655	0	50	BHAA	
S=c1[nH]c2cc(Cl)c(Cl)cc2[nH]1	1725908	AFDOMGKBKBKUHB-UHFFFAOYSA-N	219.096	3.532	0	50	BHAA	in-vitro
Clc1ccccc1-c1noc(-c2ccco2)n1	2212728	LFDKKTMNZIFEAJ-UHFFFAOYSA-N	246.653	3.650	0	50	BHAA	
COC1=Cc2ccccc2Nc2ccccc21	2575314	ZKHZWXLOSIGIGZ-UHFFFAOYSA-N	223.275	3.888	0	50	BHAA	in-vitro
CCCCc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1	13326459	PTHMXNSLMJDRJA-BXUZGUMPSA-N	231.339	3.624	0	50	BHAA	
O=C(O)c1csc2ccc(C(F)(F)F)cc12	209003157	XWWKLRLXGLAOPH-UHFFFAOYSA-N	246.209	3.618	0	50	BHAA	
Cc1ccc(C)c(NC(=O)c2ccccc2)c1	363125	WVRYJUACUKRKTQ-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
CCCOc1nc2c(Cl)cccc2s1	2496785	RXNZNQJFYZKBNO-UHFFFAOYSA-N	227.716	3.739	0	50	BHAA	
CC(C)c1cccc(C(C)C)c1N(C)C	2516959	ALXIOUGHHXXLKX-UHFFFAOYSA-N	205.345	3.999	0	50	BHAA	
CC1(C)Oc2cc(O)ccc2C2=C1CCCC2	5447696	NMNAQZVZNGCDFU-UHFFFAOYSA-N	230.307	3.891	0	50	BHAA	
CC1=CC(C)(C)Nc2c(C)cc(C)cc21	7278054	SVHOHMXWCUSMAK-UHFFFAOYSA-N	201.313	3.911	0	50	BHAA	
O=C(CC1CCCC1)Nc1ccccc1Cl	8723345	IMHIZNYTSLQUBH-UHFFFAOYSA-N	237.730	3.859	0	50	BHAA	
O=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12	16393024	YGNABULUPJVORE-ZHACJKMWSA-N	247.297	3.699	0	50	BHAA	
COC(=O)c1ccc(-c2ccc(C)cc2)cc1F	97757362	DXBVGQOJIWXJSG-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1ccc([C@@H](C)CCN2CCCC[C@H]2C)o1	104836222	VETYRGYMDFMOAY-QWHCGFSZSA-N	235.371	3.956	0	50	BHAA	
Cc1ccc2c(=O)c3ccc(C)cc3ccc2c1	140215225	JZIHQHZFQCEZRO-UHFFFAOYSA-N	234.298	3.970	0	50	BHAA	
Cc1cc(C2CC2)cc2c(C=O)cn(C3CC3)c12	222927567	FXBHKZCLFUZNJV-UHFFFAOYSA-N	239.318	3.975	0	50	BHAA	
CCn1ncc(-c2ccc(OC(C)C)cc2)c1C	2356168078	OKUQMPCOIUABMU-UHFFFAOYSA-N	244.338	3.666	0	50	BHAA	
CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1	56557	YSTSBXDVNKYPTR-UHFFFAOYSA-N	238.286	3.759	0	50	BHAA	in-vitro
O=c1c(-c2ccccc2)cocc1-c1ccccc1	1721929	JOTAMMMRYKLWBB-UHFFFAOYSA-N	248.281	3.974	0	50	BHAA	
O=C(OC/C=C/c1ccccc1)c1ccccc1	1765815	UARVBDPGNUHYQT-JXMROGBWSA-N	238.286	3.557	0	50	BHAA	endogenous,in-man
CC1=C(c2ccccc2)[C@@H]2CC(=O)[C@@H]2C1(C)C	45027792	HLZHQLPZKAKRDD-SWLSCSKDSA-N	226.319	3.705	0	50	BHAA	
CCC(CC)c1nc2c(cnn2[C@@H](C)CC)[nH]1	48371784	YRZQQQPSDWZPDO-VIFPVBQESA-N	234.347	3.634	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@]13[C@H]4CC[C@@H](C4)[C@@H]1CC[C@@H]23	257355526	BBFNGMXFOXPNBH-ZNLMQHJKSA-N	244.378	3.818	0	50	BHAA	
CC1(C)CCC=C(c2ccccc2C(=O)O)C1	725246386	XQHAKXTVUCHTQI-UHFFFAOYSA-N	230.307	3.978	0	50	BHAA	
Cc1ccc(-c2ccc3sc(C)nc3c2)nc1	1242905069	ONNDOAKCCZNTML-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
CC[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	30538	DVEQOWZEDDDEEG-MRVPVSSYSA-N	245.244	3.690	0	50	BHAA	
Cc1ccc2oc(-c3ccc(C)c(N)c3)nc2c1	122991	ADAAURXAJSQCKI-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
O=C(c1ccccc1Cl)C1CCCC1	156578	QIJMMRNZBJHXRI-UHFFFAOYSA-N	208.688	3.713	0	50	BHAA	in-vitro
Cc1cccc(Cl)c1NC(=O)c1ccccc1	395229	KCMJCTKSNLUIOU-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
C[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	466472	DEWGOGCOHJVWHY-NSHDSACASA-N	243.281	3.568	0	50	BHAA	
O=Cc1cccn1-c1cccc(Cl)c1Cl	2582720	GRQOAMAPQFMPQH-UHFFFAOYSA-N	240.089	3.597	0	50	BHAA	
CC(=O)N[C@@H](C)c1ccc(C2CCCCC2)cc1	6728682	APGDCPYGLYIPCX-LBPRGKRZSA-N	245.366	3.931	0	50	BHAA	
Cc1cccc(NC(=O)N2CCCCCC2)c1C	13322987	PZEBLFHWMCZNLM-UHFFFAOYSA-N	246.354	3.711	0	50	BHAA	
Cc1ccc(-c2cccc(N)c2)c(Cl)c1	74937825	ZLWKVXINLHEKBU-UHFFFAOYSA-N	217.699	3.898	0	50	BHAA	
Fc1cccc(-c2cc(F)ccc2F)c1	166583809	KZRSEAGFPLCANR-UHFFFAOYSA-N	208.182	3.771	0	50	BHAA	
Clc1cccc(-c2nc3ccccc3[nH]2)c1	244331	BGYHTIIVIGGCIF-UHFFFAOYSA-N	228.682	3.883	0	50	BHAA	
c1ccc([C@@H]2OCCO[C@H]2c2ccccc2)cc1	399756	NDNXQPJDCKRZEK-HOTGVXAUSA-N	240.302	3.516	0	50	BHAA	
O=C(OCc1ccccc1)OCc1ccccc1	401362	PIZLBWGMERQCOC-UHFFFAOYSA-N	242.274	3.540	0	50	BHAA	in-vitro
O=C(O)c1ccccc1-c1cccc(Cl)c1	2581032	XOBLGZILIGYWAM-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Cc1nc(C23CC4CC(CC(C4)C2)C3)c(C)o1	3895616	JWJALCGPFVWBLC-UHFFFAOYSA-N	231.339	3.759	0	50	BHAA	
Cc1ccc(-c2cccc(O)c2)cc1F	65339947	OGHKVHMJJJWHAL-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
Cc1ccccc1[C@H]1CCCC[C@@H]1N(C)C	96027170	JVJVUMAHCRTZHP-CABCVRRESA-N	217.356	3.583	0	50	BHAA	
Clc1cccc(-c2cn3ccsc3n2)c1	433045	QHUKVWOTVKQXPL-UHFFFAOYSA-N	234.711	3.716	0	50	BHAA	
O=C(O)c1ccc2[nH]c3c(c2c1)CCCCCC3	8405315	KEBLAPBLIPHXDP-UHFFFAOYSA-N	243.306	3.525	0	50	BHAA	
CC1(C)CC[C@@H](C(=O)O)[C@@H](c2ccccc2)C1	127750867	CNJNOTDRZQGNMD-CHWSQXEVSA-N	232.323	3.681	0	50	BHAA	
CCCc1ccc(OC(=O)c2ccccc2)cc1	150336	ZTOPDMKQCXHBKQ-UHFFFAOYSA-N	240.302	3.858	0	50	BHAA	
O=C(Oc1ccc2ccccc2c1)c1ccco1	347278	DDSZKPNUXDONMN-UHFFFAOYSA-N	238.242	3.652	0	50	BHAA	
CCc1nc2ccccc2n1[C@H](C)CC	572660	JVVZBIRKIVFVDD-SNVBAGLBSA-N	202.301	3.570	0	50	BHAA	
CC[C@@H](C)N(CC=C(C)C)Cc1ccncc1	71589586	YCBMAZWMMKPOBG-CQSZACIVSA-N	232.371	3.648	0	50	BHAA	
CC(C)C[C@@H](C)Cn1ccc(=O)c2sccc21	253396706	AXCYEGKOMUZGNJ-LLVKDONJSA-N	249.379	3.745	0	50	BHAA	
Cc1ccc(C)c(-c2nc(C)nc(C)c2C)c1	426387050	HMPDBJGFCFQAEI-UHFFFAOYSA-N	226.323	3.686	0	50	BHAA	
Fc1cc2cc[nH]c2c(F)c1-c1ccncc1	1875340090	KRGSLQSSPPDIOW-UHFFFAOYSA-N	230.217	3.508	0	50	BHAA	
CCCCC(=O)Nc1ccc(C(C)C)cc1	2774417	VUPRZPFGBWEFMW-UHFFFAOYSA-N	219.328	3.939	0	50	BHAA	
Cc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1C	6741179	WTGNWMRWCJMMDY-NSHDSACASA-N	246.354	3.567	0	50	BHAA	
CCCC[C@H](CC)CN1CCC(C)CC1	15442225	LWQVKFGCSLQYIL-AWEZNQCLSA-N	211.393	3.935	0	50	BHAA	
C[C@@H]1CC[C@]23CCC[C@@]12C(=O)CC3(C)C	135747750	CNYPBJDMBFBJHS-SWHYSGLUSA-N	206.329	3.572	0	50	BHAA	
CC1(C)[C@]2(C)[C@@H]3C=C[C@H]3[C@]12c1ccccc1	253592783	YWEBSTIVHWFMCK-LUYZLQTOSA-N	210.320	3.786	0	50	BHAA	
O=C1Cc2ccccc2Sc2ccccc21	346724	IEIUIKHMVGQHBH-UHFFFAOYSA-N	226.300	3.577	0	50	BHAA	
Cc1ccccc1-c1nc2ccccc2o1	431595	YJDFGVFSSDEVQT-UHFFFAOYSA-N	209.248	3.803	0	50	BHAA	
Cc1ccc([C@@H](C)CCN2CCC(C)CC2)o1	5031995	ZHLIZAIZZJBAOF-ZDUSSCGKSA-N	235.371	3.814	0	50	BHAA	
Nc1cncc(-c2ccc(Cl)cc2Cl)c1	32578206	MJXMDCDTGCYYHL-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
Cc1ccc2nc(-c3ccc(Cl)cc3)cn2c1	154233	IHXCPOUKJROXJU-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	biogenic
O=Cc1cccn1-c1cc(Cl)cc(Cl)c1	159498	GNBDQGBCNPLAQK-UHFFFAOYSA-N	240.089	3.597	0	50	BHAA	in-vitro
CCc1ccccc1Nc1nc2ccccc2[nH]1	352071	CCVDTAMKBZKEIN-UHFFFAOYSA-N	237.306	3.869	0	50	BHAA	
C[C@@H](c1ccccc1)[C@H](C(=O)O)c1ccccc1	409631	MCGRLJUUNBDQTF-WFASDCNBSA-N	240.302	3.659	0	50	BHAA	biogenic
Cc1ccc(-c2nc3ccccc3n2C)cc1	615630	QAMFZDXJTSASEV-UHFFFAOYSA-N	222.291	3.549	0	50	BHAA	
Cc1cc(F)ccc1-c1ccc(C(=O)O)c(F)c1	38068192	FONVBULAKGQXQQ-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
COC(=O)C1=CCCCCCCCCC1	254743982	IXJSBKWOAZUFMR-UHFFFAOYSA-N	210.317	3.610	0	50	BHAA	
CCN(CC)c1ccc(NC(=O)C(C)(C)C)cc1	146481	XAZKCNZZBOOIAF-UHFFFAOYSA-N	248.370	3.517	0	50	BHAA	
CSc1cccc(NC(=O)c2cccs2)c1	277849	KMXMSUFIMWFLLI-UHFFFAOYSA-N	249.360	3.722	0	50	BHAA	
CC[C@@H](NC(=O)c1ccccc1)c1ccccc1	296162	QGSOSTJHIZFYPP-OAHLLOKOSA-N	239.318	3.568	0	50	BHAA	biogenic
Cc1ccc(C)c(NC(=O)c2ccccc2C)c1	396267	OYOYTYQFJPJVDE-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Fc1ccc(CNc2ccc(F)cc2)cc1	874259	OQVIJNAAQBTAAY-UHFFFAOYSA-N	219.234	3.577	0	50	BHAA	
Cc1cc(C)cc(C(=O)c2cc(F)cc(F)c2)c1	4255047	WJYQJRMABMPGHM-UHFFFAOYSA-N	246.256	3.813	0	50	BHAA	
Cc1ccc(F)cc1-c1cc(F)cc(C(=O)O)c1	65350129	ZNGWROUAZSNRRF-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
CCc1ccc(NC(=O)c2cccs2)cc1	29172	VGVHJESBFMWXJF-UHFFFAOYSA-N	231.320	3.563	0	50	BHAA	
Cc1cc(C)cc(NC(=O)C2CCCCC2)c1	441431	ULQXNYQPJGIWAO-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
Cc1ccc2c(c1)Cc1cc(C)ccc1C2	71786644	DBFJVXARVMMGNH-UHFFFAOYSA-N	208.304	3.798	0	50	BHAA	
O=C(Cc1ccccc1)c1ccc(Cl)cc1	143931	DXVALSKCLLBZEB-UHFFFAOYSA-N	230.694	3.765	0	50	BHAA	in-vitro
CCN(C(=O)C1CCCCC1)c1ccccc1C	303019	XCMQZBBJGKTOKI-UHFFFAOYSA-N	245.366	3.928	0	50	BHAA	
CCCCN1CCC(Cc2ccccc2)CC1	2171756	CUHUGDMIHQEMCP-UHFFFAOYSA-N	231.383	3.741	0	50	BHAA	
CCn1c(/C=C/c2ccco2)nc2ccccc21	4003949	CVDSCSOYABNWQH-MDZDMXLPSA-N	238.290	3.820	0	50	BHAA	
CC1(C)C[C@]2(C)OC(=O)O[C@]2(C)c2ccccc21	4717344	WEHIQXLVIKJUOY-LSDHHAIUSA-N	246.306	3.509	0	50	BHAA	
CCC(C)(C)C1CCC([C@@H](C)C(=O)O)CC1	86717557	ZVWAFVWILOBXTL-VOMCLLRMSA-N	226.360	3.950	0	50	BHAA	
Cc1c[nH]c2cc(Br)c(Cl)cc12	242548418	LKCKXROVPFAVPC-UHFFFAOYSA-N	244.519	3.892	0	50	BHAA	
CC(C)c1occ(-c2ccccc2)c1C(=O)O	725246095	JBIWLKAAIPLRDG-UHFFFAOYSA-N	230.263	3.768	0	50	BHAA	
FC(F)(F)c1ccc2sc(S)nc2c1	53093	DJRUWESABPZMRB-UHFFFAOYSA-N	235.255	3.604	0	50	BHAA	
Nc1ccc2nc(-c3ccccc3Cl)oc2c1	31899473	JAUJLLJKGXLRIZ-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	in-vitro
Fc1cc(S)c(Br)cc1Cl	36533096	HXMDVNXMQRBSIF-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
Clc1c(Br)ccc2cnccc12	118382237	BQQSVSKUSSGCQX-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
O=C(O)c1c(-c2ccccc2)coc1C(F)F	725246548	PAPGZULRSAYQCU-UHFFFAOYSA-N	238.189	3.582	0	50	BHAA	
CCCC(=O)Nc1ccc(N(CC)CC)cc1C	364221	FTUMGWLZHVHAJS-UHFFFAOYSA-N	248.370	3.580	0	50	BHAA	
CSc1cccc(NC(=O)C2CCCC2)c1	365156	OFZBXYGHTSUFNQ-UHFFFAOYSA-N	235.352	3.537	0	50	BHAA	
Cc1cccc(C)c1NC(=O)CC(C)(C)C	372737	UGXNFIAJLSXTOI-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
CCN(CC)C(=O)Nc1c(C)cccc1Cl	396694	YUOISWDBKRMUTK-UHFFFAOYSA-N	240.734	3.522	0	50	BHAA	
Cc1ccc(C)c(C(=O)Nc2ccccc2F)c1	514610	IGDIDNGXUPAVCD-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1cccc(NCc2ccc(C)o2)c1	757548	TUGPEQVEAXLVQS-UHFFFAOYSA-N	201.269	3.509	0	50	BHAA	
OCCCCCCCCc1ccccc1	2390034	MGIGATOGROSKNW-UHFFFAOYSA-N	206.329	3.562	0	50	BHAA	in-vitro
C[C@@H](NCc1ccccc1)c1ccc(F)cc1	4240699	SKSDYYVUOGKGCR-GFCCVEGCSA-N	229.298	3.677	0	50	BHAA	
Cc1cc(C)cc(Oc2ccc(C(=O)O)cc2)c1	11993182	LEWICYODYSXXIA-UHFFFAOYSA-N	242.274	3.794	0	50	BHAA	in-vitro
CC(C)COc1cccc(NC(=O)C(C)(C)C)c1	14772552	LIULWVSMAPOCAK-UHFFFAOYSA-N	249.354	3.706	0	50	BHAA	
CSc1ccc(-c2ccc(O)cc2)cc1	16946950	FXQHNPJGDOGEIJ-UHFFFAOYSA-N	216.305	3.781	0	50	BHAA	in-vitro
CCOP(=O)(Cc1cccc(F)c1)OCC	71781371	JYFYRNCOOXHPGY-UHFFFAOYSA-N	246.218	3.592	0	50	BHAA	
CC(=O)c1cc(Cl)c(C)cc1Cl	164297615	CKTIZTAADQHDCT-UHFFFAOYSA-N	203.068	3.504	0	50	BHAA	
CC1(C)CC(=O)Nc2cc(Cl)c(Cl)cc21	216709202	ZEGURSOXWQTJEO-UHFFFAOYSA-N	244.121	3.613	0	50	BHAA	
OC(C12CCC(CC1)C2)C12CCC(CC1)C2	4569117	SPOIRRISZKYWNT-UHFFFAOYSA-N	220.356	3.508	0	50	BHAA	
CC[C@@H](C)NCCCCOc1ccc(C)cc1	4913874	LKRNOKZSLXTROO-CQSZACIVSA-N	235.371	3.542	0	50	BHAA	
Cc1ccc(C(=O)c2cccs2)cc1C	11631547	NULMBVQLHKQESS-UHFFFAOYSA-N	216.305	3.596	0	50	BHAA	in-vitro
O=Cc1ccc(-c2cccc3ccccc23)o1	19093709	CTSWIPKWDHCZMK-UHFFFAOYSA-N	222.243	3.912	0	50	BHAA	in-vitro
CC(C)=CCN[C@H]1CCCC[C@H]1C(F)(F)F	124220298	PVOIFZGYKRDEJD-MNOVXSKESA-N	235.293	3.663	0	50	BHAA	
COc1ccc(-c2ccsc2C)cc1C=O	227809367	GZKUPIILLMRIRN-UHFFFAOYSA-N	232.304	3.545	0	50	BHAA	
Cc1cc(C=O)cc(C)c1OCc1ccccc1	158245	GSYUTKRSEZMBNC-UHFFFAOYSA-N	240.302	3.695	0	50	BHAA	in-vitro
c1cncc(CNc2cccc3ccccc23)c1	236627	QTCJQTACVCVTGD-UHFFFAOYSA-N	234.302	3.847	0	50	BHAA	
CCO/C(C)=C/c1sc2ccccc2[n+]1CC	320216	VRDIHFWFLTVUMV-ZHACJKMWSA-N	248.371	3.606	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1	373141	JNZNFNHBZNQYPT-VIFPVBQESA-N	225.719	3.715	0	50	BHAA	
Oc1ccc([C@H]2CCCc3ccccc32)cc1	38284202	XYMDDBCMZHMKKX-MRXNPFEDSA-N	224.303	3.860	0	50	BHAA	in-vitro
CCOC(=O)CCCC[C@@H]1CC=C(C)CC1	39247195	WORUOURZKKLYDH-CYBMUJFWSA-N	224.344	3.856	0	50	BHAA	
CC(=O)Nc1ccc(C)c(N[C@H](C)CC2CC2)c1	164391680	QEHGJKZQJGXZGB-LLVKDONJSA-N	246.354	3.554	0	50	BHAA	
Cc1ccc(C)c(NC(=O)N2CCCC[C@@H]2C)c1	400230	YUJHFKPBCKRNLW-ZDUSSCGKSA-N	246.354	3.710	0	50	BHAA	
Cc1ncc(-c2ccc(Cl)cc2)s1	401019	VILMQRABALTXKG-UHFFFAOYSA-N	209.701	3.772	0	50	BHAA	
CCCCN(C(=O)c1ccco1)c1ccccc1	1697141	HPKHHPCDKXGAAW-UHFFFAOYSA-N	243.306	3.727	0	50	BHAA	
CCCCCSCC(F)(F)C(F)F	2923575	MUPHMVFIXMTQLJ-UHFFFAOYSA-N	218.259	3.810	0	50	BHAA	
CC1(C)C[C@]2(C)OC(=O)O[C@@]2(C)c2ccccc21	4717348	WEHIQXLVIKJUOY-GJZGRUSLSA-N	246.306	3.509	0	50	BHAA	
Cc1cccc(Oc2ccc(Cl)cn2)c1	90345323	YYCLAVWODBKKDE-UHFFFAOYSA-N	219.671	3.836	0	50	BHAA	
Cn1ccc2c(Br)ccc(Cl)c21	238550579	ZRSONUFNSFDFCU-UHFFFAOYSA-N	244.519	3.594	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1cc(C)cc(C)c1	30444	MQRYBWYDDLEVLO-GFCCVEGCSA-N	219.328	3.678	0	50	BHAA	
c1ccc(-c2ccc3ccccc3n2)cc1	1395181	FSEXLNMNADBYJU-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	biogenic,in-vitro
Brc1cc2ccccc2s1	1641233	WIFMYMXKTAVDSQ-UHFFFAOYSA-N	213.099	3.664	0	50	BHAA	in-vitro
CN1C=CC=C/C1=C\C=C1\C=Nc2ccccc21	4713434	DHWBPQRIUWVLJR-ZKLMZBBOSA-N	234.302	3.685	0	50	BHAA	
OCc1ccccc1Oc1cccc(Cl)c1	5945975	JKLAPLNUVVWDPZ-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
Cc1ccc(NC(=O)N2CCCCCC2)cc1C	6742384	GHQDFIOBDCKPNG-UHFFFAOYSA-N	246.354	3.711	0	50	BHAA	
Cc1cc(C(=O)OC(C)(C)C)ccc1Cl	127277133	FBBYEWYYSSVXLV-UHFFFAOYSA-N	226.703	3.604	0	50	BHAA	
CCO[C@@H](C)c1ccc(-c2ccnc(O)c2)cc1	1506400285	CPEJMWZRYQAXLP-NSHDSACASA-N	243.306	3.552	0	50	BHAA	
Cc1cc(-c2cc[nH]c3ncc(C)c2-3)ccc1O	2325862186	MDMOWOOTQXCAKM-UHFFFAOYSA-N	238.290	3.504	0	50	BHAA	
COc1ccc(CNc2ccc(F)cc2C)cc1	293071	ZQQXQENGJLXLQA-UHFFFAOYSA-N	245.297	3.755	0	50	BHAA	
C[C@H]1CCCC[C@H]1OC(=O)NC1CCCCC1	396380	DDSKHAHMBAVXFS-WCQYABFASA-N	239.359	3.624	0	50	BHAA	
Nc1nc2c(s1)CCCCCCCCCC2	553652	WMOHSPSQAUUNFP-UHFFFAOYSA-N	238.400	3.945	0	50	BHAA	
Nc1cc2c(C(F)(F)F)cccc2s1	140965269	GZDUIIOERMQZOH-UHFFFAOYSA-N	217.215	3.502	0	50	BHAA	
OCc1ccc(-c2cccc(Cl)c2Cl)o1	529821	HIYUSAQELYVXGM-UHFFFAOYSA-N	243.089	3.746	0	50	BHAA	
CC(C)c1ccc([C@@H]2CCCC[C@@H]2O)cc1	1708385	DWSGOQPKPDSNPU-GJZGRUSLSA-N	218.340	3.829	0	50	BHAA	
O=Cc1cccc(OCc2cccc(Cl)c2)c1	2558317	BCUFZCBDHLSTBG-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
Cc1nc(C)c(Cl)c(Cl)c1Cl	32237761	OHVYZELVCDIERE-UHFFFAOYSA-N	210.491	3.659	0	50	BHAA	in-vitro
CC1(C)C=C[C@H](OC(=O)Nc2ccccc2)CC1	43214774	LGNCTOIGAWLNPK-ZDUSSCGKSA-N	245.322	3.980	0	50	BHAA	
C[C@@H]1C[C@H](NC2CCCC2)c2ccccc21	164399258	FKWAJSCMBIWDDT-ABAIWWIYSA-N	215.340	3.767	0	50	BHAA	in-vitro
CC(C)[C@@H]1CCC(=O)C[C@H]1SC(C)(C)C	725360558	IPHCWDMMTTZRTL-NWDGAFQWSA-N	228.401	3.912	0	50	BHAA	
CC(=O)Nc1ccc2c(c1)[C@H](C)c1ccccc1-2	393064	CWMXBOWBENDGOR-SNVBAGLBSA-N	237.302	3.777	0	50	BHAA	
CCCCCCSCCc1ccccn1	71773152	FEIVJOJBUCXIHK-UHFFFAOYSA-N	223.385	3.938	0	50	BHAA	
COC(=O)c1cc(-c2ccccc2C)ccc1F	97757196	GQMPCYGMTUUQSM-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Fc1c(Cl)cc(OC(F)F)cc1Cl	149188755	CXOPOOGZOAVDLI-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1cc(NCc2ccccn2)nc2ccccc12	191175	CYWMVKCCPHPHSE-UHFFFAOYSA-N	249.317	3.550	0	50	BHAA	
c1ccc(-c2csc(N3CCCCC3)n2)cc1	448940	QWDSVKYWKIRRBD-UHFFFAOYSA-N	244.363	3.800	0	50	BHAA	
Cc1ccc(C(=O)N(C)c2ccccc2)cc1C	5546654	VHWLGJKCXCHAGA-UHFFFAOYSA-N	239.318	3.580	0	50	BHAA	
C[C@@H]1[C@@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@@H](O)C2)C1(C)C	14822283	BWVZAZPLUTUBKD-JSLGZRHDSA-N	236.399	3.856	0	50	BHAA	endogenous,in-man
CS/C(=C1/C=Nc2ccccc21)N1CCCC1	43277634	QTUATLRSXUHFMG-OWBHPGMISA-N	244.363	3.530	0	50	BHAA	
C[C@@H](CCC(=O)O)CCC1CCCCC1	71773720	MSNMOSOYSBVXTJ-LLVKDONJSA-N	212.333	3.848	0	50	BHAA	
CS[C@@H]1CC[C@H](N[C@@H](C)c2cccs2)C1	195541100	XZROYVVUEVTCOQ-GARJFASQSA-N	241.425	3.683	0	50	BHAA	
Fc1cc(C(F)(F)F)ccc1Br	2584344	XCTQZIUCYJVRLJ-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
O[C@@H]1c2ccccc2Sc2ccc(Cl)cc21	138195929	SXXLYZHWOKVLLH-CYBMUJFWSA-N	248.734	3.886	0	50	BHAA	
CCCCOc1cc(O)cc(Cl)c1OCC	261493766	IVYWKHJTCRJKLD-UHFFFAOYSA-N	244.718	3.623	0	50	BHAA	
CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2	575473285	RLINDJFWJYDEJM-JTQLQIEISA-N	231.339	3.895	0	50	BHAA	
Cc1ccccc1NC(=O)c1cccc(Cl)c1	126158	OIALLYSTXROMIG-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CC(C)c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1	1457202	SALKRYBXVDVQGA-HUBLWGQQSA-N	245.366	3.643	0	50	BHAA	
O=C1CCC[C@H]1c1ccc2ccccc2c1	3132285	QSUUMCIKFQJTIH-AWEZNQCLSA-N	210.276	3.676	0	50	BHAA	
Cc1cc(C)cc(-c2cccc(C(=O)O)c2)c1	4204247	PDMBLHWIZAYFNX-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
c1ccc(N[C@@H]2CCCN(C3CCCC3)C2)cc1	12387774	RIPSGSJTPAWTCW-OAHLLOKOSA-N	244.382	3.506	0	50	BHAA	
COc1cccc2ccc(-c3cccs3)nc12	32592941	PDWUSZYOIUOZAF-UHFFFAOYSA-N	241.315	3.972	0	50	BHAA	
COc1cccc2c(Cl)c3c(nc12)CCCC3	37637137	YCQHWLQKJDTWBK-UHFFFAOYSA-N	247.725	3.776	0	50	BHAA	
O[C@@H](c1c(Cl)cccc1Cl)C(F)(F)F	43367937	FOPZLSDSXPODKZ-ZETCQYMHSA-N	245.027	3.589	0	50	BHAA	
O=C([C@H]1CC12CCCCC2)N1CCCC12CCC2	335338940	KCNSPHFWWOIMEA-CYBMUJFWSA-N	247.382	3.502	0	50	BHAA	
COC(=O)c1cccc(-c2cccc(Cl)c2)c1	1257892	TVDSGDKYTGEAQJ-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
CC[C@@](C)(O)C(c1ccccc1)c1ccccc1	3132883	TUZWVXGLUKCSBN-QGZVFWFLSA-N	240.346	3.980	0	50	BHAA	
CCCCC[C@@H](C)NC(=O)Nc1ccccc1	6203560	QRUDUOCFJMNXMJ-GFCCVEGCSA-N	234.343	3.777	0	50	BHAA	
Sc1ccccc1-c1nc2ccccc2[nH]1	19502879	PDIXBYFWGXOMSE-UHFFFAOYSA-N	226.304	3.519	0	50	BHAA	
C[C@@H]1CC[C@]23CCC[C@]12C(=O)CC3(C)C	34332588	CNYPBJDMBFBJHS-DDTOSNHZSA-N	206.329	3.572	0	50	BHAA	
CCOc1c(C)cc(-c2cccc(N)c2)cc1C	38537362	OUHDFRUQYIMXTP-UHFFFAOYSA-N	241.334	3.951	0	50	BHAA	
Cc1cncc(SCc2ccccc2)c1	117245773	GIMRYRAGANEDSE-UHFFFAOYSA-N	215.321	3.682	0	50	BHAA	
OC[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1	245189264	INSWJXJRICZMOG-XYPYZODXSA-N	224.731	3.606	0	50	BHAA	
C/C(=C\c1nnc(-c2ccccn2)o1)C(C)(C)C	584908547	FESNWZJGDLZQIO-MDZDMXLPSA-N	243.310	3.581	0	50	BHAA	
Cc1nc2cc(-c3ncccc3C)ccc2s1	1250474685	WXVOGODIZVZXTC-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
Cc1c(Cl)cccc1-c1ccc(C=O)o1	79927	WVIQFOCEIZPVHZ-UHFFFAOYSA-N	220.655	3.721	0	50	BHAA	
Clc1ccc(OCc2ccccc2)cc1	243068	OBCBJNFGAMHBTC-UHFFFAOYSA-N	218.683	3.919	0	50	BHAA	in-vitro
O=C(O)c1ccccc1Cc1ccc(Cl)cc1	1510892	GSOKCVIYGKIMJK-UHFFFAOYSA-N	246.693	3.629	0	50	BHAA	
CCCCc1ccc([C@H]2C[C@H]2C(=O)OCC)cc1	2731934	DAKCGYYTKMEBBB-HUUCEWRRSA-N	246.350	3.696	0	50	BHAA	
C/C=C(/C)[C@H]1C=CC[C@@H]1C(=O)C1=CCCC1	43762203	IOVQAQLJBIXUOM-MHPUYCGDSA-N	216.324	3.824	0	50	BHAA	
CC(C)(C)NSc1nc2ccccc2s1	105072	IUJLOAKJZQBENM-UHFFFAOYSA-N	238.381	3.692	0	50	BHAA	
C[C@H]1CCCC[C@H]1OC(=O)Nc1ccccc1	398170	IHUQXHKMDVTSNX-WCQYABFASA-N	233.311	3.814	0	50	BHAA	
Cc1ccc(O)c([C@H](C)c2ccccc2)c1	1577021	DJRYJQNZAYJVGF-GFCCVEGCSA-N	212.292	3.852	0	50	BHAA	
c1ccc2c(c1)CC1=C2Cc2ccccc21	1712294	NTKABUUDQHBJCL-UHFFFAOYSA-N	204.272	3.710	0	50	BHAA	
Brc1ccc2ccsc2c1	15042995	OQIMJOXSDVGEBU-UHFFFAOYSA-N	213.099	3.664	0	50	BHAA	in-vitro
Oc1ccc(-c2ccccc2Cl)cc1F	65340811	NIKMRCJNZXNREL-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	in-vitro
CC(C)(C)[S@@](=O)Nc1ccc2ccccc2c1	200968175	JONCAVGABOZOLI-QGZVFWFLSA-N	247.363	3.714	0	50	BHAA	
CC[C@H](C)CC(=O)Nc1c(C)[nH]c2ccccc12	1875270443	UVQJWPJZVUDYIR-JTQLQIEISA-N	244.338	3.851	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(F)cc2)c(C)c1	63660	JENZBQHSLDEUQA-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Brc1ccc(-c2ccccn2)s1	158562	AKNKWLQVFAYRRO-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	in-vitro
CC(C)(C)c1cc(N)c(O)c(C(C)(C)C)c1	500568	IVVMNEWWVJXCLX-UHFFFAOYSA-N	221.344	3.569	0	50	BHAA	biogenic,in-vitro
Cc1cccc(NC(=O)N2[C@@H](C)CCC[C@H]2C)c1	18208157	FPLNYUWNFGVJGF-BETUJISGSA-N	246.354	3.790	0	50	BHAA	
Cc1cc(C)cc(-c2cccc(C(=O)O)c2C)c1	65349842	MOHYENBSUVGRBZ-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	in-vitro
C[C@H]1CCC[C@H](N[C@H]2CCC[C@@H](C)C2)C1	238509059	FBBSSGDEXCODGU-CRWXNKLISA-N	209.377	3.733	0	50	BHAA	in-vitro
C[C@H](C(=O)N(C)c1ccccc1)C1CCCCC1	393381	UTAZWWWCYDLFKN-ZDUSSCGKSA-N	245.366	3.866	0	50	BHAA	
CCCN(CCC)C(=O)Nc1ccccc1C	396685	MDCYMIIIKJNVKP-UHFFFAOYSA-N	234.343	3.649	0	50	BHAA	
Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1	1716329	HVHZEKKZMFRULH-UHFFFAOYSA-N	205.345	3.985	0	50	BHAA	
C[C@@H]1[C@@H](c2ccccc2)C[C@H](C(=O)O)C1(C)C	4525443	YANDMRONFZDPSQ-KGYLQXTDSA-N	232.323	3.537	0	50	BHAA	
C=C(C(=O)Nc1ccccc1)c1ccc(C)cc1	5380423	CYSMCGXVYCKQJK-UHFFFAOYSA-N	237.302	3.647	0	50	BHAA	
S=c1nc(C23CC4CC(CC(C4)C2)C3)cc[nH]1	12355861	DLTLZFLRPKPWNE-UHFFFAOYSA-N	246.379	3.607	0	50	BHAA	
FC(F)(F)c1cnccc1-c1ccccc1	263625339	YWXXUWYMDXUKEI-UHFFFAOYSA-N	223.197	3.767	0	50	BHAA	
Cc1ccc2ncnc(-c3ccccc3)c2c1	229392	PTKROUZLQOQRAP-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	
Cc1cc(C)c(C(=O)O)c(C)c1CC(C)(C)C	345411	ZSQNERWLNJWTHT-UHFFFAOYSA-N	234.339	3.899	0	50	BHAA	
O=C(Cc1ccc(Cl)cc1)Nc1ccccc1	362390	FAZLJOFJGATZBB-UHFFFAOYSA-N	245.709	3.521	0	50	BHAA	
Cc1cc(C)cc(C(=O)Nc2cccc(F)c2)c1	385069	XREMJJOYQWMATN-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
S=C(c1ccccc1Cl)N1CCCCC1	396407	VTIOHDIXIVBZSZ-UHFFFAOYSA-N	239.771	3.501	0	50	BHAA	
CCCCSC(=S)Nc1ccccc1	2572210	MCHFIILRWZTRRP-UHFFFAOYSA-N	225.382	3.917	0	50	BHAA	
CC1(C)C(=O)CC(C)(C)[C@@H]2CC=CC[C@@H]21	3132626	KZNJYJXYVKMPNC-MNOVXSKESA-N	206.329	3.594	0	50	BHAA	
CC1=CC[C@@H]2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[C@H]2CC=C[C@H]12	45071959	VUNCQWNEUUJXQY-CIUQCDBWSA-N	242.362	3.760	0	50	BHAA	
COc1ncccc1NC(C)(C)CC(C)(C)C	526058844	JQKOCQDMIHHVMN-UHFFFAOYSA-N	236.359	3.717	0	50	BHAA	
COc1cc(C(C)(C)C)c(O)cc1C(C)(C)C	57021	FLLRQABPKFCXSO-UHFFFAOYSA-N	236.355	3.996	0	50	BHAA	biogenic,in-vitro
CO[C@H]1CCCC[C@@H]1Nc1cc(C)ccc1C	292725	UUDIMGZYVHTDFS-ZFWWWQNUSA-N	233.355	3.673	0	50	BHAA	
COc1cccc(NC(=O)OC2CCCCC2)c1	395405	YXKRJHDLDWDAOB-UHFFFAOYSA-N	249.310	3.576	0	50	BHAA	
CO[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCC2	758070	XIQGGVQGYZJNRM-JKSUJKDBSA-N	245.366	3.545	0	50	BHAA	biogenic
c1ccc([C@@H]2OCCO[C@@H]2c2ccccc2)cc1	17426841	NDNXQPJDCKRZEK-IYBDPMFKSA-N	240.302	3.516	0	50	BHAA	
COc1ccc(NC(C)(C)C(C)C)cc1	257373259	SYYODDMJCLFUHF-UHFFFAOYSA-N	207.317	3.542	0	50	BHAA	
O=C(Nc1ccccc1F)c1ccc(Cl)cc1	259936	YLDIXGQCWWSKGR-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
COc1ccc(Br)c2ccccc12	1622181	XURSAEHRFFSJED-UHFFFAOYSA-N	237.096	3.611	0	50	BHAA	in-vitro
SC1=NN(c2ccccc2)C2=C(CCC2)S1	96523220	CNMTXSQWTUWTJX-UHFFFAOYSA-N	248.376	3.836	0	50	BHAA	
C[C@@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@H]1C[C@H]32	239425965	VNZLCOOICNIDQE-CQSRIBRNSA-N	244.334	3.571	0	50	BHAA	
COc1ccc(-c2nc3cc(C)ccc3o2)cc1	257576	VJDKBYXMDBYDFG-UHFFFAOYSA-N	239.274	3.812	0	50	BHAA	biogenic
Cc1ccc(NC(=O)OC(C)(C)C)cc1C	7610486	FFVXMKPDFAFYIL-UHFFFAOYSA-N	221.300	3.650	0	50	BHAA	
CC(=O)c1ccccc1-c1ccc(C)cc1	16947945	GIVWZRFYXRTADU-UHFFFAOYSA-N	210.276	3.865	0	50	BHAA	
CCCOc1ccc2ncn(C(C)(C)C)c2c1	74937773	DYFLUCVVIBHZJZ-UHFFFAOYSA-N	232.327	3.580	0	50	BHAA	in-vitro
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CC=CCC1	246337049	ITMMJZSWUWICQF-APIJFGDWSA-N	247.382	3.522	0	50	BHAA	
Cc1ccccc1C(=O)Nc1ccc(Cl)cc1	77662	GTAAHWPBBMVBRJ-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CC(C)CC(=O)Nc1ccc2ccccc2c1	306008	XMJLQRVSPVGHAI-UHFFFAOYSA-N	227.307	3.824	0	50	BHAA	
Cc1ccccc1Nc1nnc(C)c2ccccc12	1247887	VWBHFODMESHHBK-UHFFFAOYSA-N	249.317	3.990	0	50	BHAA	
CCCCCCC(=O)c1ccc(O)cc1	2556863	MAZPQHJYGKZQEA-UHFFFAOYSA-N	206.285	3.545	0	50	BHAA	in-vitro
CC(=O)Nc1ccc2c(c1)oc1ccccc12	4425632	LEHHDJYYMLPGOR-UHFFFAOYSA-N	225.247	3.544	0	50	BHAA	
CSC1=NC(C)(C)Cc2cc(C)c(C)cc21	4996364	WXMVZPCRHFRSGV-UHFFFAOYSA-N	233.380	3.748	0	50	BHAA	
Fc1ccc2c(Cl)nc(Cl)cc2c1	43215015	BDAYBRFYRZTMGQ-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	
Fc1c(Cl)cc(Br)cc1Cl	51951619	MMJSIYGLDQNUTH-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
Clc1c(Br)ccc2cccnc12	95831120	CEYGIBBNXCBDGP-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Oc1cccc2c(Cl)c(Cl)ccc12	141625597	OPTYEOOUBFDLER-UHFFFAOYSA-N	213.063	3.852	0	50	BHAA	
c1csc(SCc2ccc3c[nH]nc3c2)c1	1640858377	YPOQEFFQVSRCFM-UHFFFAOYSA-N	246.360	3.917	0	50	BHAA	
CCC(=O)c1ccc(-c2ccccc2)cc1	1036353	JMBGDQSXJHLFTO-UHFFFAOYSA-N	210.276	3.946	0	50	BHAA	biogenic,in-vitro
CCCN(CCC)C(=O)Nc1cc(C)cc(C)c1	6742658	CHKAYMNHMYGCPI-UHFFFAOYSA-N	248.370	3.957	0	50	BHAA	
c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1	13281694	FHHCKYIBYRNHOZ-UHFFFAOYSA-N	220.275	3.744	0	50	BHAA	in-vitro
O=C1O[C@@H](c2ccccc2)CN1C1CCCCC1	71773926	UZMFZPFILVZETF-CQSZACIVSA-N	245.322	3.513	0	50	BHAA	
COC(=O)c1cccc(-c2cc(C)ccc2F)c1	97757212	ZPEAUVKLTCHKHC-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC(C)(C)[C@@H]1C[C@@H]2O[C@H]2[C@H]([Si](C)(C)C)C1	195793026	NOBFKOZQKMCAJZ-WRWGMCAJSA-N	226.436	3.918	0	50	BHAA	
Fc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1	300483533	MXAHUTQJHIBFAU-FRRDWIJNSA-N	248.345	3.992	0	50	BHAA	
Fc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1	300483535	MXAHUTQJHIBFAU-RWMBFGLXSA-N	248.345	3.992	0	50	BHAA	
CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O	56443	DOZRDZLFLOODMB-UHFFFAOYSA-N	234.339	3.800	0	50	BHAA	biogenic
Clc1ccccc1-c1nc2ccccc2[nH]1	92157	OILIYWFQRJOPAI-UHFFFAOYSA-N	228.682	3.883	0	50	BHAA	
CCCOC(=O)Nc1cccc(C(F)(F)F)c1	1787416	RJIYYMCLRACEIC-UHFFFAOYSA-N	247.216	3.664	0	50	BHAA	
C[C@@]1(c2ccccc2)CC1(Cl)Cl	2167100	NXYPRVQXSWVEOB-VIFPVBQESA-N	201.096	3.522	0	50	BHAA	
C/C=C/[C@H](O)C(c1ccccc1)c1ccccc1	43761705	BVTFUHPVQPGLAA-NLIHDWIJSA-N	238.330	3.756	0	50	BHAA	
O=[PH](Oc1ccccc1)Oc1ccccc1	150338741	OGBPILLJZSJJRC-UHFFFAOYSA-N	234.191	3.534	0	50	BHAA	
CC1(C)[C@]2(C)[C@@H]3C=C[C@@H]3[C@@]12c1ccccc1	216354877	YWEBSTIVHWFMCK-VRKREXBASA-N	210.320	3.786	0	50	BHAA	
CCCC1CCC([C@@H](CC)C(=O)O)CC1	685951278	CFIZRTXVLCSVSH-HTAVTVPLSA-N	212.333	3.704	0	50	BHAA	
Cc1c(C)c(C)c(Br)c(C)c1C	1045432	XPDQRULPGCFCLX-UHFFFAOYSA-N	227.145	3.991	0	50	BHAA	biogenic,in-vitro
CCCCC(=O)c1c(C)cc(C)[nH]c1=S	5005457	JBGXBUYVTFAZFN-UHFFFAOYSA-N	223.341	3.734	0	50	BHAA	
CCCCNCc1c(Cl)cccc1Cl	5973565	AISCXMBITDLEON-UHFFFAOYSA-N	232.154	3.883	0	50	BHAA	
CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1	6701303	YNHVADNXVKMBGP-GFCCVEGCSA-N	239.318	3.551	0	50	BHAA	
c1cc(-c2ccncc2)cc(-c2ccncc2)c1	34586673	SYGVWHHZHJNDJN-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
CCCCCc1nc2cc(Cl)ccc2[nH]1	39222221	BIMBDAHDUPIEFL-UHFFFAOYSA-N	222.719	3.949	0	50	BHAA	
Cc1[nH]c(-c2ccco2)nc1-c1ccccc1	205434194	BTNCFKBLUIWQQN-UHFFFAOYSA-N	224.263	3.645	0	50	BHAA	
c1ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1	250656226	VOQHYRMWIMDWCD-HRCADAONSA-N	229.367	3.603	0	50	BHAA	
C[C@@H]1CCC[C@]1(c1ccccc1)[C@H]1CCCCN1	261361577	ZXEQNXYHWFKBDF-OIISXLGYSA-N	243.394	3.887	0	50	BHAA	
Cc1cnccc1-c1cnc2cc(F)ccc2c1	1240607822	BQBNBDNNRNQUSQ-UHFFFAOYSA-N	238.265	3.744	0	50	BHAA	
Cc1nc2cc(Oc3ccccn3)ccc2s1	1800408635	FGKCCHLCJZOUEE-UHFFFAOYSA-N	242.303	3.792	0	50	BHAA	
Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1	123015	VTAPQLUVHHVZFW-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	in-vitro
Cc1c(Cl)cccc1-c1ccc(C(=O)O)o1	157138	LFEBNPDEXNGTRZ-UHFFFAOYSA-N	236.654	3.607	0	50	BHAA	
CCn1c(-c2ccccc2)nc2ccccc21	306033	NWMBNEWCGZPOIT-UHFFFAOYSA-N	222.291	3.723	0	50	BHAA	
CC(C)(C)c1ccc(SCCC(=O)O)cc1	392583	UXBDUSBSAUFXCG-UHFFFAOYSA-N	238.352	3.551	0	50	BHAA	
O=C(O)c1cccc([C@H](F)c2cccc(F)c2)c1	91304290	MCHVFZRLUIOORC-ZDUSSCGKSA-N	248.228	3.583	0	50	BHAA	
C[Si](C)(C)C1([C@]23CCCC[C@@H]2O3)CC1	169829288	NBNDXYINJRUQRQ-JQWIXIFHSA-N	210.393	3.570	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	257357691	PLKZREXNHMCRGP-KHJKEACDSA-N	244.378	3.674	0	50	BHAA	
COc1c(Cl)ccc(Cl)c1OC(F)F	263624799	UITCEASAIJKDTM-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
O=C(c1ccc(F)cc1)c1c[nH]c2ccccc12	2512930	VWIPMQNJODLVFA-UHFFFAOYSA-N	239.249	3.538	0	50	BHAA	in-vitro
Oc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1	4987241	LPZZGKAOEYRCGK-HOCLYGCPSA-N	245.366	3.547	0	50	BHAA	
CCN(C)C1(c2ccccc2)CCCCC1	96026710	MGDJUVKRKGOTEA-UHFFFAOYSA-N	217.356	3.798	0	50	BHAA	
C[C@@H]1CC[C@@]23CCC[C@]12C(=O)CC3(C)C	101002568	CNYPBJDMBFBJHS-LERXQTSPSA-N	206.329	3.572	0	50	BHAA	
c1coc(CNc2ccc3ncsc3c2)c1	120681474	PCAGTQSUFIEEDB-UHFFFAOYSA-N	230.292	3.501	0	50	BHAA	
c1ccc(Nc2cncc3ccccc23)cc1	168613535	IDDCQOGLAJMKFJ-UHFFFAOYSA-N	220.275	3.978	0	50	BHAA	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C1CCCC1	245680422	JXLQZRKEOUWIFO-YRGRVCCFSA-N	207.361	3.582	0	50	BHAA	
O=C(O)/C=C/c1cccc(Oc2ccccc2)c1	153702	RYTBBLWPDBZDHT-MDZDMXLPSA-N	240.258	3.577	0	50	BHAA	biogenic
O=C(O)c1cc(-c2ccc(Cl)cc2)cs1	154328	LNGAFEJENIBSLI-UHFFFAOYSA-N	238.695	3.767	0	50	BHAA	
Cc1cc(OC(=O)c2ccco2)ccc1C(C)C	452501	RNKVEYCMIGEADD-UHFFFAOYSA-N	244.290	3.931	0	50	BHAA	
Cc1cc(=S)[nH]c2cc(Cl)ccc12	17158412	LSEISBSNELHXAE-UHFFFAOYSA-N	209.701	3.859	0	50	BHAA	
FC(F)(F)Cc1ccccc1Br	63361001	USTNSUARVYHWHF-UHFFFAOYSA-N	239.034	3.554	0	50	BHAA	in-vitro
CCNc1ccnc(-c2cc(C)ccc2Cl)n1	97173134	SNLKGFKJACGEFI-UHFFFAOYSA-N	247.729	3.537	0	50	BHAA	
ClC1=C[C@H]2[C@H]1[C@H]1C=C[C@H]2c2ccccc21	104279463	FNVIXLXSKVBQTP-CIQGVGRVSA-N	214.695	3.806	0	50	BHAA	
CC1=C[C@H](C)[C@H]2CO[C@H](c3ccco3)[C@H]1[C@H]2C	135929750	KGXZCJHFZYYKMQ-PRHQYYMVSA-N	232.323	3.815	0	50	BHAA	
O=C(Nc1ccccc1Cl)c1cccs1	58553	VVKLGRRGDWBYJA-UHFFFAOYSA-N	237.711	3.654	0	50	BHAA	
c1ccc(COc2cccc3[nH]ccc23)cc1	407088	LJFVSIDBFJPKLD-UHFFFAOYSA-N	223.275	3.747	0	50	BHAA	in-vitro
CN1CC[C@H](c2ccccc2)c2ccccc21	1756126	MLIIQHPUWXQPBF-CQSZACIVSA-N	223.319	3.658	0	50	BHAA	
COC(=O)Nc1ccccc1Oc1ccccc1	2772931	YFTROEGXMGJLRS-UHFFFAOYSA-N	243.262	3.657	0	50	BHAA	
CC[C@H]1CCCCN1C(=O)Nc1cccc(C)c1	6725654	DGLBTEVPHTXNNB-AWEZNQCLSA-N	246.354	3.791	0	50	BHAA	
COC(=O)c1ccc(-c2cccc(C)c2)cc1F	97757361	DFIZVRVNPQORLV-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1ccc(Cl)c2c1c(C=O)cn2C(C)C	140778260	RJJHOVAEJZHEHJ-UHFFFAOYSA-N	235.714	3.997	0	50	BHAA	
CC[C@H](C(=O)O)[C@@H]1C[C@@H](C)CC(C)(C)C1	168224720	GTCDXCQOKLGTDV-MXWKQRLJSA-N	212.333	3.560	0	50	BHAA	
CC[C@@H]1Cc2ccccc2CN1Cc1ccco1	170597320	ZKGXVDCMFDTYNI-OAHLLOKOSA-N	241.334	3.617	0	50	BHAA	
CC1=C[C@H]2[C@H]([C@H](C)C(=O)O)CC[C@@H](C)[C@H]2CC1	257459995	JYGAZEJXUVDYHI-XHJNMGKDSA-N	236.355	3.726	0	50	BHAA	biogenic
Cc1cc(C)nc(SCc2ccccc2F)n1	436571	DDCNSDGGGJIBTM-UHFFFAOYSA-N	248.326	3.525	0	50	BHAA	
CSc1ccccc1NC(=O)c1ccoc1C	1051982	MOLYUUQPKIPDRW-UHFFFAOYSA-N	247.319	3.562	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)cc2)cc1C	2529000	GFGYCDJAIZGZTK-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
CC(C)c1ccccc1OCCCN1CCCC1	2932152	BUXYALCOOWVWNX-UHFFFAOYSA-N	247.382	3.675	0	50	BHAA	
CC(C)N(C(=O)c1cccc(Cl)c1)C(C)C	5384369	AANRVNNQHBBVLC-UHFFFAOYSA-N	239.746	3.599	0	50	BHAA	
C(=C1\CCc2ccccc21)\c1ccncc1	13610822	ZHGWOEHABOMOSV-SDNWHVSQSA-N	207.276	3.568	0	50	BHAA	in-vivo
O[C@H]1c2ccccc2Sc2ccc(Cl)cc21	138195821	SXXLYZHWOKVLLH-ZDUSSCGKSA-N	248.734	3.886	0	50	BHAA	
CCN(CCCc1cccnc1)C1CCCCC1	244735143	NTLJMPNWDZGJIL-UHFFFAOYSA-N	246.398	3.669	0	50	BHAA	
Cc1cccc(C)c1NC(=O)c1ccccc1	124732	QGUFWIMSJMAPET-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	in-vitro
CCCCc1ccc(Nc2cc(C)ncn2)cc1	11902755	NQULJYAVCJSFTD-UHFFFAOYSA-N	241.338	3.871	0	50	BHAA	
Cn1cnc(-c2ccccc2)c1-c1ccccc1	39351733	VDIRUWTYFVIERN-UHFFFAOYSA-N	234.302	3.754	0	50	BHAA	
C[C@@H]1C[C@@H]2C[C@@]34C=CC[C@@H]3CC[C@H]4[C@@]2(C)C1=O	71786396	DWQHJENFMHTEFG-AATNOEDMSA-N	230.351	3.594	0	50	BHAA	
CCC(CC)C[C@H](N)c1ccccc1C	128044878	RSVYKSBLTPUULY-AWEZNQCLSA-N	205.345	3.821	0	50	BHAA	
O=Cc1ccc(-c2ccccc2)c(Cl)c1	146123377	ZUHNTBRGYUKODM-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	
CC(C)c1ccc(-c2csc(N)n2)cc1	35831	UFBAQAAATDLTAZ-UHFFFAOYSA-N	218.325	3.516	0	50	BHAA	in-vitro
c1ccc(-c2csc(C3CCOCC3)n2)cc1	219759	PDVHEXJNTUVWMC-UHFFFAOYSA-N	245.347	3.704	0	50	BHAA	
CCOC(=O)c1ccccc1-c1cccs1	4277359	YEZCHNWSAPLQBB-UHFFFAOYSA-N	232.304	3.592	0	50	BHAA	
Nc1ccccc1SCc1ccc(F)cc1	6269443	CBQNUUSADNBAOX-UHFFFAOYSA-N	233.311	3.700	0	50	BHAA	in-vitro
COc1ccc2c(-c3ccc(C)cc3)noc2c1	30819544	KBISTKVIGBJGSZ-UHFFFAOYSA-N	239.274	3.812	0	50	BHAA	
C[C@H]1CCc2cc(Cl)c(Cl)cc2N1	95802946	CIQLDQNYJCBJQR-LURJTMIESA-N	216.111	3.740	0	50	BHAA	
Cc1cc(C)cc(OCCCN2CCCCC2)c1	2896197	CHIYDGQRPYBYPA-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Cc1ccc(SCc2ccc(C(=O)O)o2)cc1	9260202	YVVQCTVUNAOQNE-UHFFFAOYSA-N	248.303	3.579	0	50	BHAA	
CCc1ccc(NC(=O)c2c(C)coc2C)cc1	9764033	YIARJFUPPYMRJD-UHFFFAOYSA-N	243.306	3.711	0	50	BHAA	
Cc1cc(=O)c2sccc2n1[C@H]1CC[C@H](C)C1	334956415	LTENADZUBULOHF-ONGXEEELSA-N	247.363	3.733	0	50	BHAA	
NC1=NC2=C(CCCC2)C2(CCCCC2)S1	244424	NQAWQTUJTNVDCW-UHFFFAOYSA-N	236.384	3.579	0	50	BHAA	
CCCOc1cc(O)cc(Cl)c1OC(C)C	261493602	FOQTYEXWNJCLII-UHFFFAOYSA-N	244.718	3.622	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1ccc(C)c(C)c1	30585	GUWLZBQVCMWZIH-LLVKDONJSA-N	219.328	3.678	0	50	BHAA	
CCCc1cnc(-c2ccc(CC)cc2)nc1	2569874	BGEYOSFUJVDPRV-UHFFFAOYSA-N	226.323	3.659	0	50	BHAA	
CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1	42366077	UOPSLIPFKZVXQY-UHFFFAOYSA-N	247.288	3.597	0	50	BHAA	
Cc1nc2ncccc2cc1-c1ccccc1	45027527	RUXWOFBWXAPXFZ-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	
CC[C@H](F)CCn1ccc2ccccc21	96032889	DJQBLVURAATKGQ-LBPRGKRZSA-N	205.276	3.780	0	50	BHAA	in-vitro
CC[C@H](C)S[C@@H]1CC(=O)CCC1(C)C	725360795	JVAPOWFKMAJHCI-GXSJLCMTSA-N	214.374	3.666	0	50	BHAA	
CCc1cccc(C)c1NC(=O)c1ccccc1	42756	HRNPFTQVVAGPTM-UHFFFAOYSA-N	239.318	3.810	0	50	BHAA	
c1ccc2c(NC3CCCCCC3)ncnc2c1	151429	KVQTTYBSOMTHJH-UHFFFAOYSA-N	241.338	3.765	0	50	BHAA	
COc1ccc([C@H]2Cc3ccccc3N2)cc1C	3715059	SOUWKRSQFUREFZ-OAHLLOKOSA-N	239.318	3.713	0	50	BHAA	in-vitro
O[C@@H](c1ccc(Cl)cc1)c1cccc(F)c1	4242479	YOKJZIUNZKHALC-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	in-vitro
O=C1C[C@H](c2ccccc2)[C@H](c2ccccc2)C1	16929976	HHRAKSMWUCTDPI-CALCHBBNSA-N	236.314	3.917	0	50	BHAA	
CCCC(=O)c1ccc(Cl)c(Cl)c1	31893475	GLWFMNWVTNHDEO-UHFFFAOYSA-N	217.095	3.976	0	50	BHAA	in-vitro
Cc1c(C(=O)O)sc2c(Cl)cccc12	34975087	JXEJPBOIKNNLQX-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	in-vitro
Cc1cc(Cl)cc2c(C=O)cn(C3CC3)c12	140771466	JDQWOWSTHBSRBG-UHFFFAOYSA-N	233.698	3.751	0	50	BHAA	
Cc1cc(Cl)c(F)c(OCC(C)C)c1F	261494476	YKPSJYLOUUZYOF-UHFFFAOYSA-N	234.673	3.961	0	50	BHAA	
CCN(Cc1ccccc1)c1ccccc1	1577041	HSZCJVZRHXPCIA-UHFFFAOYSA-N	211.308	3.713	0	50	BHAA	
CO[C@]12[C@H]3CC[C@@H](C3)[C@H]1[C@H]1C[C@H]2c2ccccc21	247956479	OKRGLLBHEZGBNW-BOVBCJTDSA-N	240.346	3.702	0	50	BHAA	
CC(C)OC(=O)Nc1c(Cl)cccc1Cl	395472	OGHCBBZETGSDNU-UHFFFAOYSA-N	248.109	3.950	0	50	BHAA	
COc1ccc([C@H](C)NCc2ccccc2)cc1	4240725	UUERSPCNHLAMES-ZDUSSCGKSA-N	241.334	3.546	0	50	BHAA	
Cc1nc2ccc3[nH]c(C)c(C)c3c2s1	4776626	WQNUWJZIGLKSPH-UHFFFAOYSA-N	216.309	3.703	0	50	BHAA	
CC1=C(C)N(c2ccccc2)N=C(S)S1	5686186	VDDABKUUDWBHFW-UHFFFAOYSA-N	236.365	3.692	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)cc2C)cc1	65349481	LHCCZUSKOCWOFZ-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
C[C@H]1CCC(=O)C[C@H]1Sc1ccccc1	223585900	DUTUEUMDWDCSMC-GXFFZTMASA-N	220.337	3.536	0	50	BHAA	
CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccco3)[C@H]1[C@@H]2C	248333695	KGXZCJHFZYYKMQ-VLMXXORWSA-N	232.323	3.815	0	50	BHAA	
Cc1cc(F)c(N)c2c1C(C)(C)C[C@H]2C	669374668	MVXDEPQIAYWASF-MRVPVSSYSA-N	207.292	3.501	0	50	BHAA	
CCCCCCNC(=S)NCCCCCC	2146669	CYYJFWJNIQDCLT-UHFFFAOYSA-N	244.448	3.611	0	50	BHAA	
Cc1ccc(Cn2ccc3ccc(C=O)cc32)cc1	15424306	KAMDPYAYPGSDBC-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
Cc1cccc2[nH]c(/C=C/c3ccco3)nc12	55361057	FZNCFIJBLPWICH-BQYQJAHWSA-N	224.263	3.635	0	50	BHAA	
O=C(c1ccccc1)c1ccc2cc(O)ccc2c1	402759	MJKZGSBXCWNUHV-UHFFFAOYSA-N	248.281	3.776	0	50	BHAA	
COc1cccc(NC(=O)CCC2CCCC2)c1	476974	YZVUASVSTMRKDV-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
Cc1ccccc1Nc1cccc2nccnc12	986076	AZUVHCRHMGFWQX-UHFFFAOYSA-N	235.290	3.682	0	50	BHAA	
Cc1cc2cc(Cl)ccc2nc1Cl	19721624	NGCCQISMNZBKJJ-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
CSc1cccc(CN(C)CCC2CC2)c1	65430561	PJWXLCINRNQBFA-UHFFFAOYSA-N	235.396	3.640	0	50	BHAA	
Nc1ccc(-c2cc(F)cc(Cl)c2)cc1	74937779	FSXLTSAXLFETHZ-UHFFFAOYSA-N	221.662	3.728	0	50	BHAA	in-vitro
CC(F)(F)c1cc(Br)ccc1F	143673259	VRSBHZMIJMLFDU-UHFFFAOYSA-N	239.034	3.700	0	50	BHAA	
CC1=CC[C@@H]2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[C@@H]2CC=C[C@@H]12	169595079	VUNCQWNEUUJXQY-VNAATALASA-N	242.362	3.760	0	50	BHAA	
Cc1ccccc1[C@H](N)[C@H]1CCC[C@@H](C)C1	169616661	FOGSJWPUWBXGDC-OSAQELSMSA-N	217.356	3.821	0	50	BHAA	in-vitro
CC(C)c1ncc(NC(=O)OC(C)(C)C)s1	170619009	KRUSXLGXUGKGMC-UHFFFAOYSA-N	242.344	3.614	0	50	BHAA	
CC1=Nc2cc(Cl)ccc2C(C)(C)O1	252501906	ULCHUJBASWYBED-UHFFFAOYSA-N	209.676	3.655	0	50	BHAA	
Nc1nc2ccc(C3CCCCC3)cc2s1	210288	NSZKBOFZZVSDSY-UHFFFAOYSA-N	232.352	3.926	0	50	BHAA	
O=C1CCC[C@@H]1c1cccc2ccccc12	3132465	AQMADBTVRPWMEG-CQSZACIVSA-N	210.276	3.676	0	50	BHAA	
Cc1ccc(/C=C/c2nc3ccccc3[nH]2)o1	4453130	PODOHRWTUCYSIX-CMDGGOBGSA-N	224.263	3.635	0	50	BHAA	
c1cc(NCc2ccon2)c2sccc2c1	381353450	BXGJMRGYMUNIRD-UHFFFAOYSA-N	230.292	3.501	0	50	BHAA	
CC(C)CS[C@H]1CC(=O)CCC1(C)C	725362466	SJRVMIFOXPXLEV-NSHDSACASA-N	214.374	3.523	0	50	BHAA	
Cc1ccc(-c2onc3ccc(C=O)cc23)cc1	169951	AKCMMYWXXNCXES-UHFFFAOYSA-N	237.258	3.616	0	50	BHAA	
NCC1(c2ccc(Cl)s2)CCCCC1	337228	QLHVIUMPSVVQRM-UHFFFAOYSA-N	229.776	3.562	0	50	BHAA	
CCCCN(CCCC)CCc1ccccn1	1675488	FFRAESSYYAXPQG-UHFFFAOYSA-N	234.387	3.526	0	50	BHAA	
Cc1cc2ccccc2cc1Br	1712084	MQYUUWGCGPVNLO-UHFFFAOYSA-N	221.097	3.911	0	50	BHAA	in-vitro
O=Cc1cccn1-c1ccc(Cl)cc1Cl	2582722	ZIJCRHQAWUXVNO-UHFFFAOYSA-N	240.089	3.597	0	50	BHAA	
CC(=O)CSc1cc(C)c2cccc(C)c2n1	12000298	VCMQZVYUTWQXIT-UHFFFAOYSA-N	245.347	3.533	0	50	BHAA	
CCC[C@@H](O)c1ccc(-c2c(C)noc2C)cc1	32580886	AZSYUKPDPCTJBQ-CQSZACIVSA-N	245.322	3.792	0	50	BHAA	
C[C@@H](c1ccccc1)n1cccc(C=O)c1=S	332226	JMAMMDRJFLCJEW-NSHDSACASA-N	243.331	3.639	0	50	BHAA	
CSc1cccc(NC(=O)C2CCCCC2)c1	365217	LQWACIGZDMEPRR-UHFFFAOYSA-N	249.379	3.927	0	50	BHAA	
CC[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	373186	GREVJEWXSUUOOV-SSDOTTSWSA-N	246.137	3.978	0	50	BHAA	
CCC[C@@H](C)Oc1nc2ccccc2s1	405647	XMIAAPBFEALTIX-SECBINFHSA-N	221.325	3.864	0	50	BHAA	
Cc1cc(C)cc(-c2ccccc2C(=O)O)c1	38068098	YSTSEEODNZVFEJ-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
CCOC(=O)Oc1ccc(-c2ccccc2)cc1	71774170	KDBZQDPRBQZKPY-UHFFFAOYSA-N	242.274	3.889	0	50	BHAA	
CCN(CC)c1c(Cl)cccc1Cl	98213409	HPFXGVBIEQKTKY-UHFFFAOYSA-N	218.127	3.840	0	50	BHAA	
Fc1ccc2c(CN3CCCCCC3)c[nH]c2c1	258108396	SMVJTUSLWMYBON-UHFFFAOYSA-N	246.329	3.683	0	50	BHAA	
C[C@@H](CCC1CC1)Nc1ncnc2ccccc12	345722538	CNNODXXZBZPBDH-NSHDSACASA-N	241.338	3.620	0	50	BHAA	
Fc1ccc(-c2c(F)cc3cc[nH]c3c2F)cn1	1875340293	UYZKQAGVGHDPOU-UHFFFAOYSA-N	248.207	3.647	0	50	BHAA	
CCCN(CCC)C(=O)Nc1cccc(CC)c1	399184	SZWWCTRAQGCPAK-UHFFFAOYSA-N	248.370	3.903	0	50	BHAA	
Clc1ccccc1-c1cn2ccsc2n1	3877649	OEJBLGKLCKYXSU-UHFFFAOYSA-N	234.711	3.716	0	50	BHAA	
C(=C/c1ccc2ccccc2n1)\c1cccnc1	4812040	LUHTXESUYWNUHX-VQHVLOKHSA-N	232.286	3.800	0	50	BHAA	
C[C@H](O)c1ccc(Oc2ccc(F)cc2)cc1	35632278	SHWOMEQIYAAQLJ-JTQLQIEISA-N	232.254	3.671	0	50	BHAA	
CCCCN(C)CCSc1ccccc1C	96026686	JFGDJNJALTYYEN-UHFFFAOYSA-N	237.412	3.819	0	50	BHAA	
Clc1ccc2c(c1)nnn2C1CCCCC1	584904515	CLCDSQSXTNFOCQ-UHFFFAOYSA-N	235.718	3.590	0	50	BHAA	
Cc1ccc(F)cc1C(F)(F)C(F)(F)F	725378402	PFGSLVCRKGRQGJ-UHFFFAOYSA-N	228.135	3.788	0	50	BHAA	
c1coc(-c2cn3ccc4ccccc4c3n2)c1	237646	PJEAIPOKYDAYGK-UHFFFAOYSA-N	234.258	3.748	0	50	BHAA	
CC(=O)[C@H](C)Sc1cc(C)c2ccccc2n1	11907508	SOGNQFOKMKWVMI-NSHDSACASA-N	245.347	3.613	0	50	BHAA	
CC(C)CSc1ccc(Br)cn1	42351439	CKPFLGBTCSVQSU-UHFFFAOYSA-N	246.173	3.592	0	50	BHAA	
C[C@H](c1ccccc1)n1cccc(C=O)c1=S	332227	JMAMMDRJFLCJEW-LLVKDONJSA-N	243.331	3.639	0	50	BHAA	
c1csc(-c2nnc(C3CCCCC3)o2)c1	359170	GDJJUUUZWNPYIF-UHFFFAOYSA-N	234.324	3.846	0	50	BHAA	
c1ccc(N(Cn2cccn2)c2ccccc2)cc1	5331750	KTFSTKQNDWVLRF-UHFFFAOYSA-N	249.317	3.679	0	50	BHAA	
Fc1cc(Cl)c(Br)c(F)c1F	63339595	IDWJHPHIYHBSKA-UHFFFAOYSA-N	245.425	3.520	0	50	BHAA	
C[C@@H](CNCc1ccccc1)C1CCCCC1	230577325	CTRCDXITNNVTOI-AWEZNQCLSA-N	231.383	3.993	0	50	BHAA	
Cc1ccc(-c2ccc(C(C)C)nn2)cc1F	426544947	GDEMYXUVNWWVJN-UHFFFAOYSA-N	230.286	3.715	0	50	BHAA	
O=C(c1ccccc1)c1ccccc1Cl	155209	VMHYWKBKHMYRNF-UHFFFAOYSA-N	216.667	3.571	0	50	BHAA	in-vitro
COc1ccc(CNc2ccccc2)cc1C	275576	GCONJRSWVPOTJH-UHFFFAOYSA-N	227.307	3.616	0	50	BHAA	
Cc1ccc(NC(=O)c2cccc(F)c2)cc1C	362785	VUHSFIILRJFEKN-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1cc(C)cc([C@H](O)c2cccc(F)c2)c1	4255615	YIKVOASBEQYYNK-OAHLLOKOSA-N	230.282	3.524	0	50	BHAA	
CCOc1ccc(CN[C@@H](C)CC)cc1Cl	10474911	ZAOSTMBMNPBUBO-JTQLQIEISA-N	241.762	3.627	0	50	BHAA	
Cc1ccsc1CN(Cc1ccoc1)C1CC1	65506192	ZIOSPGYYRFKQPT-UHFFFAOYSA-N	247.363	3.814	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1C	575449225	FZDYXQUWELAPBF-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CC1	312948	YBEXQLBHSRWYMN-UHFFFAOYSA-N	249.313	3.606	0	50	BHAA	
Cc1c(Cl)cccc1NC(=O)C1CCCC1	362283	LCOYSTMXESRAGG-UHFFFAOYSA-N	237.730	3.777	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1OC(=O)Nc1ccccc1	398173	IHUQXHKMDVTSNX-YPMHNXCESA-N	233.311	3.814	0	50	BHAA	
Cc1cc2c(Cl)cc(Cl)cc2[nH]1	2512928	UCUSJGONHVYQIE-UHFFFAOYSA-N	200.068	3.783	0	50	BHAA	in-vitro
CC(C)(C)C(=O)OCC1=CC[C@H]2[C@@H](C1)C2(C)C	43199023	ZMMCKTGRRVVQIW-NWDGAFQWSA-N	236.355	3.568	0	50	BHAA	
CC(C)c1nccn1CCCc1ccccc1	70422953	FKZCVFFGAXDLLM-UHFFFAOYSA-N	228.339	3.639	0	50	BHAA	
CCOC(=O)Nc1c(C)cc(C)cc1Cl	145398	GXWKMPBPRWVARC-UHFFFAOYSA-N	227.691	3.525	0	50	BHAA	
Cc1cccc(C)c1NC(=O)OCc1ccco1	397328	UMDJQIGYOFRJCL-UHFFFAOYSA-N	245.278	3.645	0	50	BHAA	
CC(C)(c1ccccc1)c1ccc(O)cc1	1085204	QBDSZLJBMIMQRS-UHFFFAOYSA-N	212.292	3.718	0	50	BHAA	biogenic,in-vivo
CC(C)CCOc1ccc(Cl)cc1C=O	2558312	UEQAKLJVVSXIMK-UHFFFAOYSA-N	226.703	3.577	0	50	BHAA	in-vitro
CC(C)SCCCOc1ccccc1F	2885664	MOXDOTQKYATERX-UHFFFAOYSA-N	228.332	3.736	0	50	BHAA	
CCCCCCOc1ccc(NC(C)=O)cc1	5820374	XADSXVABHSQCOV-UHFFFAOYSA-N	235.327	3.604	0	50	BHAA	
O=C(O)c1cc2c(C(F)(F)F)cccc2s1	8730034	BVVNCWBGCFGVAU-UHFFFAOYSA-N	246.209	3.618	0	50	BHAA	
FC(F)(Cl)C(F)(Cl)C(F)(F)Cl	44352333	AIDLQDHQDQZVQM-UHFFFAOYSA-N	237.382	3.554	0	50	BHAA	
Fc1ccc(Br)c(Cl)c1Cl	65356408	CBJHQGPVASQJFW-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
CC(C)Oc1cccc(Cl)c1Cl	98069685	PCTCKKKDHQQCCL-UHFFFAOYSA-N	205.084	3.781	0	50	BHAA	
CCCC(C)(C)Nc1ccc(NC(C)=O)cc1	257373325	WMTCHYABBOFZTB-UHFFFAOYSA-N	234.343	3.636	0	50	BHAA	
O=C(O)C1=CCCCCCCCCCC1	308672639	AYRFSEXTGFEZKA-UHFFFAOYSA-N	210.317	3.912	0	50	BHAA	
Cc1ccc([C@@](C)(O)CCc2ccccc2)cc1	3131019	HCWSUJJMPIRUKT-KRWDZBQOSA-N	240.346	3.835	0	50	BHAA	
CCc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1	13325803	COJITWXPXXLMMO-LBPRGKRZSA-N	246.354	3.513	0	50	BHAA	
Clc1ccc2c(Br)ccnc2c1	19721434	IVPHNMMNLBTDRQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
NCC[C@@H](CCc1ccccc1)c1ccccc1	76621600	BXXWFBYYNGNPPK-QGZVFWFLSA-N	239.362	3.752	0	50	BHAA	
CC[C@H]1Cc2ccccc2CN1Cc1ccco1	170597321	ZKGXVDCMFDTYNI-HNNXBMFYSA-N	241.334	3.617	0	50	BHAA	
COc1cccc(Cl)c1-c1ccccc1C=O	315304430	QETBKYFCPUKUFM-UHFFFAOYSA-N	246.693	3.828	0	50	BHAA	
Cc1nc(-c2c[nH]c3ccccc23)c(C)s1	103909	KARNNHWCLKLJBI-UHFFFAOYSA-N	228.320	3.908	0	50	BHAA	
c1cc(CCSC2CCCCC2)ccn1	185444	MACCZGMNDHANMG-UHFFFAOYSA-N	221.369	3.690	0	50	BHAA	
CNC(=O)Nc1c(C(C)C)cccc1C(C)C	397211	GQHMJQCLGYGDLS-UHFFFAOYSA-N	234.343	3.685	0	50	BHAA	
CC[C@H](NC(=O)C(C)(C)C)c1ccccc1C	72117667	XYSGFJGMWAXUJX-ZDUSSCGKSA-N	233.355	3.608	0	50	BHAA	
O=C1c2ccccc2S[C@H]1c1ccccc1	84459936	VWIXUROTJVJZOL-AWEZNQCLSA-N	226.300	3.716	0	50	BHAA	
FC(F)(F)c1cnc(-n2cccc2)c(Cl)c1	32955	VTPAUOGNKCCAMU-UHFFFAOYSA-N	246.619	3.545	0	50	BHAA	
O=Cc1cc2c(ccc3sc(C=O)cc32)s1	334062	YIBAYVIXSAHLGC-UHFFFAOYSA-N	246.312	3.741	0	50	BHAA	
Cc1cc(F)c(Br)cc1Cl	2560291	GYFUSHKOOPPODA-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
Fc1ccc(CN2CCCCCCC2)c(F)c1	4977768	JFWUGIALVILKQF-UHFFFAOYSA-N	239.309	3.731	0	50	BHAA	
CCOc1ccc(Cl)c(C(F)(F)F)c1	144441624	NOMRVFNQPUIWRA-UHFFFAOYSA-N	224.609	3.758	0	50	BHAA	
C[Si](C)(C)C(F)(F)c1ccccc1	195924456	SKNPDERVSQTQQJ-UHFFFAOYSA-N	200.304	3.656	0	50	BHAA	
COc1c(OC(F)F)ccc(Cl)c1Cl	263622964	CLPHBWIBIAAJOM-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)c1	390823084	SAAUJPCIJVBKHD-UHFFFAOYSA-N	215.340	3.791	0	50	BHAA	
CN1c2c3cccc2CCc2cccc(c21)CC3	3132293	DXIYFSAIXIQUJF-UHFFFAOYSA-N	235.330	3.652	0	50	BHAA	
CCc1cc(Br)cc(CC)c1F	65356429	MYKVQCPCJOTNHP-UHFFFAOYSA-N	231.108	3.713	0	50	BHAA	
COC(=O)c1sc2cccc(Cl)c2c1C	95836022	KESJJOKEOXAERJ-UHFFFAOYSA-N	240.711	3.650	0	50	BHAA	in-vitro
FC1(c2ccc(Br)cc2)CCC1	107271970	IMIBFYPZDFTQDG-UHFFFAOYSA-N	229.092	3.798	0	50	BHAA	
Cc1nc(C(C)C)sc1-c1ccc(CN)cc1	259400758	MDTWIKROSITRLO-UHFFFAOYSA-N	246.379	3.701	0	50	BHAA	
COc1ccc(Cl)c(Cl)c1OC(F)F	263624569	RQPQBGBZRGFDNL-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
Cc1c(-c2nccn2C2CC2)oc2ccccc12	1875249640	LUORIFFTTPPOQE-UHFFFAOYSA-N	238.290	3.940	0	50	BHAA	
C[C@@H](CC(=O)Nc1ccccc1)c1ccccc1	295723	WBNRAKXBDCSXSC-ZDUSSCGKSA-N	239.318	3.819	0	50	BHAA	
CSc1nc2ccccc2n1-c1ccccc1	341425	UMDJIQSYWZDYPH-UHFFFAOYSA-N	240.331	3.747	0	50	BHAA	
CC(=O)N(Cc1ccco1)[C@H](C)CCC=C(C)C	2116421	XZNRWRBZRCYUNF-CYBMUJFWSA-N	249.354	3.763	0	50	BHAA	biogenic
CCc1ccc(Cl)c(Br)c1	2567832	VQFRIIZTQOGROW-UHFFFAOYSA-N	219.509	3.665	0	50	BHAA	
CC(C)SCCCCOc1ccccc1	12382821	CSOOUTKRNLRYCX-UHFFFAOYSA-N	224.369	3.987	0	50	BHAA	
FC(F)Oc1ccccc1SC(F)F	238855014	QDAFHCNRIJJNAS-UHFFFAOYSA-N	226.194	3.603	0	50	BHAA	in-vitro
C[C@H]1CCCC[C@H]1Oc1ccc(CCCO)cc1	584907171	ZIKTUEUPTXROBT-XJKSGUPXSA-N	248.366	3.569	0	50	BHAA	
Cc1cc(CNc2cccc(C3CCC3)c2)n[nH]1	1324270889	YQYXAHCSWWGBLW-UHFFFAOYSA-N	241.338	3.598	0	50	BHAA	
Nc1c2c(nc3ccccc13)-c1ccccc1CC2	3275	FRXXZKCFLLWYIW-UHFFFAOYSA-N	246.313	3.583	0	50	BHAA	
Cc1nc2c(cc(O)c3ccsc32)s1	45231	CKCVIZASFQSRBN-UHFFFAOYSA-N	221.306	3.525	0	50	BHAA	in-vitro
c1cc2c3c(cccc3c1)C(N1CCCCC1)=N2	226424	INABJDDLWNMADL-UHFFFAOYSA-N	236.318	3.717	0	50	BHAA	
CCc1cc(C(=O)OC(C)C)cc(CC)c1CC	406660	JJQCPJVDXBGVET-UHFFFAOYSA-N	248.366	3.939	0	50	BHAA	
Fc1ccc(C(F)(F)F)c(Br)c1	2506836	XBBGYSIEJHXPLL-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
CCCC[C@@H](CC)C(=O)NC(CC)CC	2856557	JXGFPBCPRGSWSN-LLVKDONJSA-N	213.365	3.508	0	50	BHAA	
CC(C)(C)NCc1ccc(-c2ccc(F)cc2)o1	4942859	IMWAWAUHISEEEI-UHFFFAOYSA-N	247.313	3.974	0	50	BHAA	
O[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	37464467	JCIWCQYNVZQYRV-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	in-vitro
C1=CC[C@]23CSC[C@@]2(C1)CC1(CC1)C3	45028040	FGBVDHXKTWZOMH-BETUJISGSA-N	206.354	3.630	0	50	BHAA	
FC(F)=Cc1ccc(Br)cc1	71791192	LXJISEJYMAHRKE-UHFFFAOYSA-N	219.028	3.687	0	50	BHAA	in-vitro
Cc1c(C(=O)O)sc2cc(Cl)ccc12	95835715	QEINRGCVGFKPIW-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	
Cc1cc(-c2ncc(C(C)(C)C)o2)cnc1C	2325806969	QQLUMTRRLLHJFL-UHFFFAOYSA-N	230.311	3.651	0	50	BHAA	
Nc1cc(-c2nc3ccccc3o2)ccc1Cl	156715	OQKDQHJUUGMNCC-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
Cc1ccccc1NC(=O)Oc1ccccc1	396389	YDIDYQBGPNARLI-UHFFFAOYSA-N	227.263	3.606	0	50	BHAA	
Oc1cccc2c1sc1ccccc12	2173221	SUBWJLQUFMWZRI-UHFFFAOYSA-N	200.262	3.760	0	50	BHAA	
CCC(CC)C(=O)NC1CCCCCCC1	4697753	IRHOLPPUCONICW-UHFFFAOYSA-N	225.376	3.652	0	50	BHAA	
Cc1cc(O)cc(C)c1OCc1ccccc1	71773975	CBVNWWINKAXHMW-UHFFFAOYSA-N	228.291	3.588	0	50	BHAA	
C[C@@H]1CCC[C@@]1(c1ccccc1)[C@@H]1CCCCN1	96027029	ZXEQNXYHWFKBDF-HYVNUMGLSA-N	243.394	3.887	0	50	BHAA	
Fc1ccc(Oc2ncccc2Cl)cc1	238853024	HXEFSDYCAUQFLP-UHFFFAOYSA-N	223.634	3.666	0	50	BHAA	
C[C@H]1[C@@H]2Oc3ccccc3[C@@H]1Oc1ccccc12	252694506	LOQYRSWVFIUHMT-SWYJDSQNSA-N	238.286	3.890	0	50	BHAA	biogenic
CCOC(=O)C12C[C@H]3C[C@@H](CC(CC)(C3)C1)C2	1481469990	UHPCMWMDJGVVNI-XOEAPDPESA-N	236.355	3.546	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2C)c(C)c1	557914	NYWOKVBURUWQMM-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1cc(C)cc(-c2ccc(C(=O)O)cc2)c1	4204244	KQVFDBZDLRABMX-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
CCNC1(c2cccs2)CCCCC1	12412060	JRYPDBYJPXTVIV-UHFFFAOYSA-N	209.358	3.517	0	50	BHAA	
C=Cc1c(Cl)cccc1Br	1083806276	CULMJTAEUTXKDA-UHFFFAOYSA-N	217.493	3.746	0	50	BHAA	
Cc1ccc(-c2nc3ccccc3[nH]2)s1	435755	VKEYVDPRFIYFDZ-UHFFFAOYSA-N	214.293	3.600	0	50	BHAA	aggregator
FC(F)(F)c1ccc(C(F)(F)F)cc1	1081124	PDCBZHHORLHNCZ-UHFFFAOYSA-N	214.108	3.724	0	50	BHAA	in-vitro
CC(C)(C)c1ccc(CNc2ccccn2)cc1	2876529	VFEFYXBQVSYDRE-UHFFFAOYSA-N	240.350	3.991	0	50	BHAA	
C/C(Cl)=C/Cc1c(C)nc2ccccc2c1O	12653203	HOFQUAXNPCMCQM-CLFYSBASSA-N	247.725	3.934	0	50	BHAA	biogenic
Brc1ccccc1[C@@H]1C[C@H]1C1CC1	117155460	JFEKQFAEQBOBIU-QWRGUYRKSA-N	237.140	3.963	0	50	BHAA	
C[Si](C)(C)C1([C@]23CCCC[C@H]2O3)CC1	169829291	NBNDXYINJRUQRQ-PWSUYJOCSA-N	210.393	3.570	0	50	BHAA	
FC(F)(F)C(F)(F)c1ccccc1Cl	197036318	HUMIYBNCUJBVFG-UHFFFAOYSA-N	230.563	3.994	0	50	BHAA	
Clc1ccsc1CSC1=NCCS1	241277727	LIRQMVGVTVQKCO-UHFFFAOYSA-N	249.813	3.738	0	50	BHAA	
CC1=CCC[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C1	255222389	KDPFMRXIVDLQKX-QWHCGFSZSA-N	236.355	3.553	0	50	BHAA	biogenic,in-vitro
C[C@H](O)c1cccc(/C=C/C2CCCCC2)n1	426620004	INNNEWAVEKWUAC-IIANPFDCSA-N	231.339	3.728	0	50	BHAA	
C[C@@H]1CCC(=O)C[C@@H]1SC1CCCCC1	725362371	RYVHGIBOFPRHKU-MFKMUULPSA-N	226.385	3.810	0	50	BHAA	
Cn1c(-c2ccc(Cl)cc2)nc2ccccc21	615636	HYYYYTWUVIVVSG-UHFFFAOYSA-N	242.709	3.894	0	50	BHAA	
O=C(O)c1ccccc1-c1ccc(Cl)cc1	2581034	LCDIWTLDJLGFKG-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Cc1ccc(C(=O)Nc2ccccc2F)cc1C	4679901	UFMYFQACHKMLQO-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1c(Cl)cccc1NC(=O)OC(C)(C)C	6729715	FUFRZWSIYKXLRV-UHFFFAOYSA-N	241.718	3.995	0	50	BHAA	
C=C[C@@H](CCC(=C)C)[C@@H](C(=O)O)[Si](C)(C)C	169833288	MCMUBZWTRLTXEW-RYUDHWBXSA-N	240.419	3.938	0	50	BHAA	
Fc1cc(C(F)F)c(F)cc1Br	225967988	XTGNEVHXMFTHIC-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
c1ccc2c(c1)[C@H]1C[C@H]2[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	230118227	VWMIKOJUDBEKIP-ABTPSQJZSA-N	210.320	3.933	0	50	BHAA	
Cc1ccc(-c2cnc3ccccc3n2)cc1C	233147	AJYKLFYVMCSPOL-UHFFFAOYSA-N	234.302	3.914	0	50	BHAA	
Cc1ccccc1C(=O)N[C@H](C)CCCC(C)C	2546460	RYPRDYWSSHHEEW-CQSZACIVSA-N	247.382	3.940	0	50	BHAA	
CN(Cc1cccc(F)c1)Cc1cccc(F)c1	42977300	TZSHTDOQJWAFMF-UHFFFAOYSA-N	247.288	3.597	0	50	BHAA	
O=Cc1c[nH]c2c(-c3ccccc3F)cccc12	47204667	HVTOHJJIPAMWPJ-UHFFFAOYSA-N	239.249	3.787	0	50	BHAA	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC=CCC1	246337071	ITMMJZSWUWICQF-KBXIAJHMSA-N	247.382	3.522	0	50	BHAA	
c1ccc2c(c1)NC1(CCCCC1)S2	48479	KFQBMGYBVHJESL-UHFFFAOYSA-N	205.326	3.865	0	50	BHAA	in-vitro
CCOC(=O)c1cc2c(ccc3ccccc32)o1	170043	WCLJZIQDNPSVDJ-UHFFFAOYSA-N	240.258	3.763	0	50	BHAA	
c1ccc(-c2ccc([C@@H]3CCCN3)cc2)cc1	1724376	VFTXXPDSXZVEAD-INIZCTEOSA-N	223.319	3.778	0	50	BHAA	in-vitro
CCCc1sc(C(C)=O)cc1Br	2534807	RVEBOXGTMJAMGA-UHFFFAOYSA-N	247.157	3.666	0	50	BHAA	
CCc1ccc(OC(=O)Nc2ccccc2)cc1	4957780	SHCDPVWKSAFYIC-UHFFFAOYSA-N	241.290	3.860	0	50	BHAA	
Cc1cnnc(-c2ccc(C)c3ncccc23)c1C	2100483150	VBYOCXZTTROLHK-UHFFFAOYSA-N	249.317	3.617	0	50	BHAA	
Cc1cc2c(cc1N)C(C)(C)CCC2(C)C	1758681	NDQSUCPZRPRYLX-UHFFFAOYSA-N	217.356	3.926	0	50	BHAA	
FC(F)(F)c1cc(/C=C/c2ccccc2)n[nH]1	8973424	AQBZVFYCSSTAJO-VOTSOKGWSA-N	238.212	3.599	0	50	BHAA	
Oc1ccc(-c2ccccc2Cl)cc1	13840556	WNVDNJPDZNUWLK-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	biogenic,in-vitro
CCOc1ccc(-c2ccc(O)cc2F)c(C)c1	65340997	IHEWVZZGMJNCIQ-UHFFFAOYSA-N	246.281	3.905	0	50	BHAA	in-vitro
FC(F)(F)CCc1cccc(Cl)c1	66329426	AFGFEFLFOJZWJE-UHFFFAOYSA-N	208.610	3.835	0	50	BHAA	
Clc1cc(Br)c2cccnc2c1	118222191	CMWLIWRAKZQZII-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Fc1cc(F)c(C(F)F)cc1Br	263625138	XCOMHBNRSYEIQP-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
Fc1ccc(SCCc2ccncc2)cc1	231807	CZJMWEKVYJWISH-UHFFFAOYSA-N	233.311	3.556	0	50	BHAA	
O=C(Nc1ccccc1)NC1CCCCCC1	246299	MMNBZHUPPBZRSD-UHFFFAOYSA-N	232.327	3.531	0	50	BHAA	
CC(=O)c1sc(Nc2ccc(C)cc2)nc1C	246822	USXHFWPMWDRNAX-UHFFFAOYSA-N	246.335	3.706	0	50	BHAA	
O=CN1c2ccccc2CSc2ccccc21	332387	LFIPBQACKNGZCI-UHFFFAOYSA-N	241.315	3.587	0	50	BHAA	
Cc1ccc(Oc2ccccc2C=O)cc1	1386804	VPSRCJKQVYKILL-UHFFFAOYSA-N	212.248	3.600	0	50	BHAA	in-vitro
C[C@H](c1ccccc1)[C@H](O)c1ccccc1	1720280	VNBGFQGEVUPRIW-DOMZBBRYSA-N	212.292	3.524	0	50	BHAA	
Sc1c(Cl)c(Cl)nc(Cl)c1Cl	2564033	LVUQDNJRAHUUSB-UHFFFAOYSA-N	248.949	3.984	0	50	BHAA	
CCCCOc1ccc(NC(=O)CCC)cc1	6729630	JZIJXAFLPQXHJO-UHFFFAOYSA-N	235.327	3.604	0	50	BHAA	
Clc1ccc2cccc(Br)c2n1	26506744	ZXSUGMMMZOMZTD-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Cc1cccc(C(F)(F)C(F)(F)F)c1	59043395	JLLASYITSPQYDE-UHFFFAOYSA-N	210.145	3.649	0	50	BHAA	
FC(F)c1cc(Cl)c2ccccc2n1	61629931	FDBNZUFFBGTABM-UHFFFAOYSA-N	213.614	3.826	0	50	BHAA	
Cc1cc(CNC2CCCC2)ccc1Cl	125465855	AWSFOOXYOBSSRV-UHFFFAOYSA-N	223.747	3.681	0	50	BHAA	
Cc1nc2cc(-c3ccc(F)cn3)ccc2s1	1241807944	RRINDSZFBNXXIZ-UHFFFAOYSA-N	244.294	3.806	0	50	BHAA	
c1ccc2[nH]c(-c3ccnc4ccccc34)nc2c1	127684	WQWLWMHHMQYNIE-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
CCC(C)(C)C(=O)Nc1ccc(C)cc1C	456055	DIFWPBZEZGPBQS-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
O=C(O)Cc1ccccc1-c1ccc(Cl)cc1	1256535	UWAXYNGFODQXHE-UHFFFAOYSA-N	246.693	3.634	0	50	BHAA	in-vitro
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)o1	4488099	HOLMKXDVDQEZCQ-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
Cc1cccc(NC(=O)c2cc(F)ccc2F)c1	16652169	UWXXZDCUZZYARG-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Oc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1	98087498	BMSYKBWEFGWDKT-UHFFFAOYSA-N	242.171	3.616	0	50	BHAA	
C[C@@H]1CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C	100473471	QTLDMKVNVOUSIV-SCDSUCTJSA-N	232.323	3.714	0	50	BHAA	biogenic
CC(C)Cc1ccc(Br)s1	167527757	UBOFODWCVBXQQX-UHFFFAOYSA-N	219.147	3.709	0	50	BHAA	
Cc1cc(Br)c2cccnc2c1C	1857778024	MICXKRYMZSCTRF-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	
c1ccc(OCc2nc3ccccc3s2)cc1	80672	UVYFAHWMIBGHMU-UHFFFAOYSA-N	241.315	3.875	0	50	BHAA	
Cc1nc2ccccc2n1[C@H](C)c1ccccc1	167650	GTDZOOOVFNXSPY-GFCCVEGCSA-N	236.318	3.954	0	50	BHAA	
C[C@@H](C(=O)O)c1ccc(-c2ccccc2F)cc1	2037479	MSUHIIYPJIGYBH-SNVBAGLBSA-N	244.265	3.681	0	50	BHAA	
C[C@H]1C(=O)C[C@@H]2C(C)(C)C[C@@]3(C)CC=C[C@@]123	71786059	IGXWHEGHMSQLTN-QMGNLALYSA-N	218.340	3.594	0	50	BHAA	
Cc1ccc(-c2ccc(N)cc2)cc1Cl	85476925	PQIBJLJQRGEYGU-UHFFFAOYSA-N	217.699	3.898	0	50	BHAA	in-vitro
C[C@@H](SC(C)(C)C)C(=O)c1ccccc1	616573605	WWJGOMAEWHSHTK-SNVBAGLBSA-N	222.353	3.790	0	50	BHAA	
C=Cc1ccc(-c2ccc(F)cc2C=O)cc1	725241577	ZUEMVVFNCFNMSK-UHFFFAOYSA-N	226.250	3.948	0	50	BHAA	
CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	398202	UYAFIBWBOORJHP-UHFFFAOYSA-N	238.501	3.605	0	50	BHAA	
CCc1nc(C)cc2c1[nH]c1ccccc12	5737392	YEMMDBJNFUMWTG-UHFFFAOYSA-N	210.280	3.587	0	50	BHAA	
Cc1cc(Br)ccc1OC(C)C	40571723	MHMLHICCHCBHBO-UHFFFAOYSA-N	229.117	3.545	0	50	BHAA	
Oc1cccnc1-c1cc2ccccc2s1	65339297	VNDYHYKUILJHAZ-UHFFFAOYSA-N	227.288	3.669	0	50	BHAA	in-vitro
CC(C)(C)CC(=O)Nc1nc2ccccc2s1	102018	KYGUTCSZQDODFL-UHFFFAOYSA-N	248.351	3.671	0	50	BHAA	
CCC(C)(C)c1ccc2c(C(N)=O)csc2c1	1053574	ZKIBPSGWIGTGET-UHFFFAOYSA-N	247.363	3.688	0	50	BHAA	
CCCCNC(=O)/C=C/c1ccc(C(C)C)cc1	2086451	OZLTWVBQNUPIQF-DHZHZOJOSA-N	245.366	3.740	0	50	BHAA	
Fc1ccc(-c2cc3ccccc3[nH]2)cc1	108656	VLHGDCJIDNVRFM-UHFFFAOYSA-N	211.239	3.974	0	50	BHAA	in-vitro
COc1ccc2nc(Cl)cc(Cl)c2c1	547997	FUAYQQYYACASFP-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	in-vitro
C[C@H]1N(Cc2ccccc2)CC12CCCCC2	1195263	KDXZIEBCIJZYPX-CQSZACIVSA-N	229.367	3.841	0	50	BHAA	
c1ccc(-c2ccc([C@H]3CCCN3)cc2)cc1	2042811	VFTXXPDSXZVEAD-MRXNPFEDSA-N	223.319	3.778	0	50	BHAA	in-vitro
Oc1ccc(OCc2ccccc2)c(Cl)c1	39424173	PQBMHARERZHVJP-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	in-vitro
CC1(C)[C@@]2(c3ccccc3)[C@H]3C=C[C@H]3[C@@]12C	101036446	YWEBSTIVHWFMCK-BFJAYTPKSA-N	210.320	3.786	0	50	BHAA	
CCCOc1c(F)cc(Cl)c(C)c1F	261493992	NKIOESWJEHEERD-UHFFFAOYSA-N	220.646	3.715	0	50	BHAA	
CC(=O)c1ccc2c(c1C)NC(C)(C)C[C@H]2C	584906235	PHFBFNWWOPPSEI-SECBINFHSA-N	231.339	3.895	0	50	BHAA	
CCCCNCCCCOc1cccc(C)c1C	2900055	DSSHOUHDMDIWMH-UHFFFAOYSA-N	249.398	3.852	0	50	BHAA	
C/C=C(/C)[C@H]1C=CC[C@H]1C(=O)C1=CCCC1	43762205	IOVQAQLJBIXUOM-KXPQISSRSA-N	216.324	3.824	0	50	BHAA	
Cc1ccc(-c2cccnc2C)cc1F	221342465	IPOULSPPXOWPHA-UHFFFAOYSA-N	201.244	3.505	0	50	BHAA	
CCCOc1cccc(OCCC)c1C	2166540	ZKNSYCZROWFLFK-UHFFFAOYSA-N	208.301	3.573	0	50	BHAA	
Cc1ccn2cc(-c3ccc(Cl)cc3)nc2c1	151528	NFGAWDQBMWEMHU-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	biogenic
CCc1ccc2oc(-c3ccc(N)cc3)nc2c1	154609	ODZPTRODOSVYCM-UHFFFAOYSA-N	238.290	3.639	0	50	BHAA	
O[C@H]1C=C2CCCCCCC[C@@]3(C=C[C@@H]13)C2	71786382	QIOMFNSKPQLJFZ-SOUVJXGZSA-N	218.340	3.594	0	50	BHAA	
O=C(O)c1ccccc1-c1cc2ccccc2[nH]1	103501	LCESEHLZWDWPKJ-UHFFFAOYSA-N	237.258	3.533	0	50	BHAA	
Cc1cc(C)cc(NC(=S)NC2CCCC2)c1	305329	XYMCOFFYLKYPGC-UHFFFAOYSA-N	248.395	3.532	0	50	BHAA	
Cc1cccc(CN[C@@H](C)c2ccccc2)c1	2390500	RIJGFBBPMPGCJT-AWEZNQCLSA-N	225.335	3.846	0	50	BHAA	
CCc1ccc([C@H]2Cc3ccccc3N2)cc1	3715051	PQZHKWVTWPSJAT-MRXNPFEDSA-N	223.319	3.958	0	50	BHAA	in-vitro
CC(=O)N[C@H](C)c1ccc(C2CCCCC2)cc1	6728683	APGDCPYGLYIPCX-GFCCVEGCSA-N	245.366	3.931	0	50	BHAA	
Clc1ccc2sc(Br)nc2c1	66054580	JTQBUCZAQFBAOE-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
CCc1nc(C)cc(-c2cc(C)ccc2C)n1	1241190097	WXKOFIIETGSKBO-UHFFFAOYSA-N	226.323	3.631	0	50	BHAA	
CC(C)(C)OCc1ccc(Br)cc1	34936195	HIYXDGGLSJYYCO-UHFFFAOYSA-N	243.144	3.764	0	50	BHAA	in-vitro
Fc1cc(Cl)ccc1-c1cccnc1	669379389	CSVIBIXCGSFWKG-UHFFFAOYSA-N	207.635	3.541	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1ccc(C)c(C)c1	30586	GUWLZBQVCMWZIH-NSHDSACASA-N	219.328	3.678	0	50	BHAA	
Cc1cccc(Oc2ccc(F)cc2)c1	2379601	APVQRVSBMIDSFS-UHFFFAOYSA-N	202.228	3.926	0	50	BHAA	in-vitro
Cc1[nH]nc2c1[C@H](c1ccccc1)c1ccccc1-2	4010266	PXEGVECYYOGCHJ-MRXNPFEDSA-N	246.313	3.879	0	50	BHAA	
Clc1ccc(Oc2ccnc(Cl)n2)cc1	20358087	ZXNQLIBMSWBQJK-UHFFFAOYSA-N	241.077	3.576	0	50	BHAA	
Brc1cccc(SC2CC2)c1	65337255	JORAQKMAPMVMTJ-UHFFFAOYSA-N	229.142	3.704	0	50	BHAA	in-vitro
Cc1nc2cc3nc(C)sc3cc2s1	86777	XUPHULZQAIVIGI-UHFFFAOYSA-N	220.322	3.523	0	50	BHAA	
COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	329940	JJVJYPSXZCEIEQ-UHFFFAOYSA-N	246.693	3.580	0	50	BHAA	in-vitro
Cc1ccc([C@H](O)c2cc(C)cc(C)c2)cc1	4290260	FDWAFEHDUXKBBX-INIZCTEOSA-N	226.319	3.694	0	50	BHAA	
CC(C)=CCC[C@H](C)NCCc1ccc(O)cc1	32581056	MXTSUPIROMPXDL-AWEZNQCLSA-N	247.382	3.659	0	50	BHAA	
c1cc(CNc2ccc3ncsc3c2)cs1	120684701	IBYXVASZOUYITA-UHFFFAOYSA-N	246.360	3.970	0	50	BHAA	
Cc1ccc(Br)cc1C(F)F	215840073	IWHODKIODYMCSW-UHFFFAOYSA-N	221.044	3.695	0	50	BHAA	
c1ccc2c(c1)[C@@H]1CCC[C@@H]3CCCN2[C@@H]13	216197811	CGZZLBWDQKRDNU-OSAQELSMSA-N	213.324	3.553	0	50	BHAA	
COC(=O)c1sc2cc(C)ccc2c1Cl	2746123	MGACFENQJJMRFI-UHFFFAOYSA-N	240.711	3.650	0	50	BHAA	
Oc1cncc(-c2c(Cl)cccc2Cl)c1	238694120	DSYCTZZEEZGJPU-UHFFFAOYSA-N	240.089	3.761	0	50	BHAA	
CCCCOc1ccc(Cl)c(F)c1F	261494205	RWCFUSMLQCBYLW-UHFFFAOYSA-N	220.646	3.797	0	50	BHAA	
CC(C)(O)c1cncc(/C=C/C2CCCCC2)c1	426387162	WMRPJHHZYGLULT-CMDGGOBGSA-N	245.366	3.903	0	50	BHAA	
COc1ccc(NCC2CCCCC2)cc1	279740	ONIQPBNASZSLGS-UHFFFAOYSA-N	219.328	3.687	0	50	BHAA	
COc1ccc(CNc2ccc(Cl)cc2)cc1	394957	HJXWKUCABPCBMP-UHFFFAOYSA-N	247.725	3.961	0	50	BHAA	
O=C1CCC[C@@H]1c1ccc2ccccc2c1	3132284	QSUUMCIKFQJTIH-CQSZACIVSA-N	210.276	3.676	0	50	BHAA	
Cc1ccc(CNc2ccnc3ccsc23)o1	1875272523	NOOCLDXULXMMBV-UHFFFAOYSA-N	244.319	3.810	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccccc1Cl	50044	LLDDCZFFWXSEFG-UHFFFAOYSA-N	227.691	3.687	0	50	BHAA	in-vitro
CC[C@@H](C)c1ccc(-n2cccc2C=O)cc1	1527080	CQVQUDCJLWKGFQ-GFCCVEGCSA-N	227.307	3.803	0	50	BHAA	in-vitro
CCOC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	2577183	UCDAWOWWZUSWFQ-KBPBESRZSA-N	246.350	3.651	0	50	BHAA	
Cc1ccc(-c2noc(CC(C)(C)C)n2)cc1	6697272	GRWVBXVEABGBIE-UHFFFAOYSA-N	230.311	3.634	0	50	BHAA	
CCC(CC)c1nc2c(C)nn(CC(C)C)c2[nH]1	48115529	ZCPIDSYSYPKIFD-UHFFFAOYSA-N	248.374	3.627	0	50	BHAA	
CC[C@H](NC(=O)C(C)(C)C)c1ccc(C)cc1C	67982648	KGXOEZDWLXKXKM-AWEZNQCLSA-N	247.382	3.917	0	50	BHAA	
CCCCNc1nc(-c2cc(C)ccn2)cs1	253431710	XDYBQZSQWJVPHQ-UHFFFAOYSA-N	247.367	3.726	0	50	BHAA	
CC(=O)c1cc(C)c(Cl)c(Cl)c1	263622883	BRNNUBRUWLLIFW-UHFFFAOYSA-N	203.068	3.504	0	50	BHAA	
O=C(O)c1c(-c2ccccc2)coc1C1CC1	725246774	WNJKHERHUUPGRI-UHFFFAOYSA-N	228.247	3.522	0	50	BHAA	
CCc1ccccc1NC(=O)c1ccc(F)cc1	29775	MREABRZGWQLBOC-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
CCCOC(=O)Nc1cccc(Cl)c1Cl	2171156	LEMRGNJDVKJNQE-UHFFFAOYSA-N	248.109	3.952	0	50	BHAA	
Cc1c(S)ccc(Br)c1Cl	36533064	ZCQRFKLYECFOPS-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
Clc1cc(Br)c2[nH]ccc2c1	40448838	CBQDZTGRYHTJRO-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
O=C(O)c1cc(-c2ccc3[nH]ccc3c2)cs1	67805721	JDYDKLFLXUZIFT-UHFFFAOYSA-N	243.287	3.595	0	50	BHAA	
Cc1cc(C)cc(C(F)(F)C(F)(F)F)c1	95147679	KMRQWYZBOXNDBA-UHFFFAOYSA-N	224.172	3.958	0	50	BHAA	
Nc1cc(-c2cccc(Cl)c2)cs1	100460192	YBENWBHIGQOKEQ-UHFFFAOYSA-N	209.701	3.651	0	50	BHAA	
Clc1c(Br)ccc2cnsc12	238558729	PPXZQLGQYWXTCE-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1Oc1ccccc1CCCO	584907140	DPLPACOUWRVFGN-HIFRSBDPSA-N	248.366	3.569	0	50	BHAA	
OC1(CCCc2cccs2)CCCCC1	337202	DLDBZGNFXFRTKS-UHFFFAOYSA-N	224.369	3.766	0	50	BHAA	
Cc1cccc(C)c1NC(=O)C1CCCCC1	369222	JLNUFNBCQJGFTL-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
Cc1ccc(C)c(NC(=O)N2CCCC[C@H]2C)c1	400229	YUJHFKPBCKRNLW-CYBMUJFWSA-N	246.354	3.710	0	50	BHAA	
CCCCCNC(=O)Nc1cccc(Cl)c1	2485365	QSPRGWOHRAWKCW-UHFFFAOYSA-N	240.734	3.652	0	50	BHAA	
CCCCNC(=O)c1cc(Cl)ccc1Cl	5419799	KLNMGSDUEFYTSQ-UHFFFAOYSA-N	246.137	3.523	0	50	BHAA	
CC(C)CCn1c(=S)[nH]c2ccccc21	5817262	VMUBBILWOSMHDZ-UHFFFAOYSA-N	220.341	3.745	0	50	BHAA	
Cc1scc(C(=O)N[C@@H](C)C(C)(C)C)c1C	13744787	JDLRQBLOPSVLQS-JTQLQIEISA-N	239.384	3.529	0	50	BHAA	
Nc1ccc(Br)c(-c2ccccc2)c1	38537252	CZTUHSJLGKCOSC-UHFFFAOYSA-N	248.123	3.698	0	50	BHAA	in-vitro
COc1ccc(N[C@H](C)c2ccccc2)cc1	52612	QKBUMGWVDNFABU-GFCCVEGCSA-N	227.307	3.868	0	50	BHAA	
O=Cc1ccccc1OCc1ccccc1Cl	65191	DNLXVAPVRJZHFU-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	
CCC(CC)NCc1cc(C)c(OC)cc1C	4309939	POWFDFYIMGJRRL-UHFFFAOYSA-N	235.371	3.590	0	50	BHAA	
Cc1ccc(C)c(NC(=O)N2CCC[C@@H](C)C2)c1	6700177	GKKIBRGSRHNKTC-GFCCVEGCSA-N	246.354	3.567	0	50	BHAA	
Cc1c(C(F)(F)F)cc(Cl)c(Cl)c1N	67801416	PQNJUZXJVHMOHM-UHFFFAOYSA-N	244.043	3.903	0	50	BHAA	
CCC[C@@H]1OC[C@H]2[C@H](C)C=C(C)[C@H]1[C@@H]2C	100291536	PLNTZIJJUMKIGW-CYDRSHDDSA-N	208.345	3.650	0	50	BHAA	biogenic
CC(=O)Cc1c(Cl)cc(Cl)cc1Cl	118734552	SSGBVBPQZPYPSM-UHFFFAOYSA-N	237.513	3.778	0	50	BHAA	in-vitro
CC[C@@H](C)c1ccc(O)c(C(=O)C(C)C)c1	232354882	NFXVQZRHMNDVEN-SNVBAGLBSA-N	220.312	3.744	0	50	BHAA	
C1=C[C@@H]2COC[C@H]2CCCCCCCC1	254849334	QQPBNXSJUXIDLT-ZIAGYGMSSA-N	208.345	3.940	0	50	BHAA	biogenic
c1csc(-c2ccc3ccccc3n2)c1	273286	KSHYDMGICWRWSL-UHFFFAOYSA-N	211.289	3.963	0	50	BHAA	
C[C@@H](NC(=O)CC1CCCCC1)c1ccccc1	317861	GHXLWPCDRAJZJP-CYBMUJFWSA-N	245.366	3.834	0	50	BHAA	
CCCC(=O)Oc1ccc2ccccc2c1	383564	KCWQXDQUKLJUEU-UHFFFAOYSA-N	214.264	3.545	0	50	BHAA	in-vitro
OCc1ccccc1C1=CCCCCC1	2143498	FQFBWHDZCDRRPF-UHFFFAOYSA-N	202.297	3.526	0	50	BHAA	
Fc1cccc(Br)c1C(F)(F)F	2382262	LOXSSZUHCPBDMD-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Cc1ccc(C)c(-[n+]2c(C)cc(C)cc2C)c1	2519823	XTZZNTUYWVLCCE-UHFFFAOYSA-N	226.343	3.505	0	50	BHAA	
COC12C=CC(c3ccccc31)c1ccccc12	4800572	KIVSAMZUWHOGEM-UHFFFAOYSA-N	234.298	3.592	0	50	BHAA	
COC(=O)/C=C/c1ccc(-c2ccccc2)cc1	34567131	UHUGJJAYJFINJA-FMIVXFBMSA-N	238.286	3.540	0	50	BHAA	
CCOc1ncccc1-c1cc(Cl)ccc1O	67982027	VWAHCTOSNZJDLT-UHFFFAOYSA-N	249.697	3.506	0	50	BHAA	
CCCCOc1ccc(O)c(C(F)(F)F)c1	261493691	HDBHAMJGNURSAG-UHFFFAOYSA-N	234.217	3.590	0	50	BHAA	
COc1cc(OC(F)F)cc(Cl)c1Cl	263624733	TTYDEIZJOUJYSY-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
Clc1ccc(CN2CCCCCC2)cc1	291995	HYVIGCJJIMMLDX-UHFFFAOYSA-N	223.747	3.716	0	50	BHAA	
CC(C)c1cccc(C(=O)C(F)(F)F)c1	4267403	VQYXARBYTICRRJ-UHFFFAOYSA-N	216.202	3.555	0	50	BHAA	
CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1	5696805	SALKRYBXVDVQGA-SLEUVZQESA-N	245.366	3.643	0	50	BHAA	
C[C@@H](CNCCc1ccccc1)c1ccccc1	6175414	ASCNQMRWFQKXSI-HNNXBMFYSA-N	239.362	3.622	0	50	BHAA	
Cc1c(C(=O)c2ccccc2)oc2ccccc12	15215861	OHOPMPQDBXDVID-UHFFFAOYSA-N	236.270	3.972	0	50	BHAA	
Cc1cc(C)cc(-c2ccc(C(=O)O)cc2C)c1	65349841	VVOZWOSSANZQEE-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	in-vitro
O=Cc1cn(C2CC2)c2ccc(C3CC3)cc12	140777698	ZYVUCUSFERZUSJ-UHFFFAOYSA-N	225.291	3.666	0	50	BHAA	
FC(F)(F)c1cccc(C(F)(F)F)c1	164380	SJBBXFLOLUTGCW-UHFFFAOYSA-N	214.108	3.724	0	50	BHAA	
Nc1nc(C2(c3ccccc3)CCCC2)cs1	288917	OGEZYPPIKAJNGR-UHFFFAOYSA-N	244.363	3.585	0	50	BHAA	
Brc1nc(-c2ccccc2)cs1	11920190	WUZLTINVLOBXQS-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	
CCOP(=O)(Cc1cccc(C)c1)OCC	34522266	LMLREDDVMFNSMK-UHFFFAOYSA-N	242.255	3.761	0	50	BHAA	in-vitro
CCC(=O)c1ccc(Cl)c(Br)c1	74934344	URNVRYXURNXFLW-UHFFFAOYSA-N	247.519	3.695	0	50	BHAA	in-vitro
COC(=O)c1cc(C)ccc1-c1ccc(C)cc1	142331008	RADBNOXPAIVEOG-UHFFFAOYSA-N	240.302	3.757	0	50	BHAA	in-vitro
CN(C)Cc1c[nH]c2cc(Cl)c(Cl)cc12	196569060	UOSKXEVWJSTQAG-UHFFFAOYSA-N	243.137	3.536	0	50	BHAA	
CC1=CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2[C@H](O)[C@H]2CC=C[C@@H]12	257359067	YCMCSGLLCUSKCL-QOWPPBHYSA-N	244.378	3.552	0	50	BHAA	
Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1	3900096	MJWMPQJTRWLIKB-UHFFFAOYSA-N	233.380	3.919	0	50	BHAA	
CC(C)CNc1ccc(Cl)cc1F	37056377	PELMMGOVLXBMQT-UHFFFAOYSA-N	201.672	3.547	0	50	BHAA	
COc1ccc(CNc2cccc(F)c2)cc1C	280464	ISIFMBBYQYCXHU-UHFFFAOYSA-N	245.297	3.755	0	50	BHAA	
CC(=O)O[C@@H]1CCCC[C@H]1C1CCCCC1	402274	ZEJHMZKXUUMYAY-UONOGXRCSA-N	224.344	3.689	0	50	BHAA	
CC1(C)C[C@H]1C(=O)Oc1ccc2ccccc2c1	6658391	MBENQELIBNWIJX-AWEZNQCLSA-N	240.302	3.791	0	50	BHAA	
CCOCSc1ccc(Br)cc1	261494362	VUYHSHPXRHZHKS-UHFFFAOYSA-N	247.157	3.535	0	50	BHAA	
Cc1cnnc(-c2ccc(OC(C)C)cc2)c1C	2100537812	XGMIBRDEQMMAKY-UHFFFAOYSA-N	242.322	3.548	0	50	BHAA	
Cc1ccc(-c2noc(-c3ccccc3)n2)cc1	430491	GZLTUHPTDPXMHI-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
O=C(Nc1ccccc1)Nc1cc(F)ccc1F	6740977	RXHIUYPCKPHUHV-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CCc1ccccc1NC(=O)c1c(C)coc1C	9764026	PHSCKLGYLANGRC-UHFFFAOYSA-N	243.306	3.711	0	50	BHAA	
c1ccc([C@@H]2Nc3ccccc3S2)cc1	33488752	YKJUYTXCRIKRND-CYBMUJFWSA-N	213.305	3.903	0	50	BHAA	
CC(=O)c1ccc(OCc2ccccc2)c(C)c1	36193763	LHSXIWRUQWZIKV-UHFFFAOYSA-N	240.302	3.777	0	50	BHAA	
CCC(=O)NCc1cccc(/C=C/C(C)(C)C)c1	96148074	WEBWKNTVYUYLLO-MDZDMXLPSA-N	245.366	3.772	0	50	BHAA	
Fc1cc2[nH]ccc2cc1OCc1ccccc1	117740632	VTDQUKKDBPQGSA-UHFFFAOYSA-N	241.265	3.886	0	50	BHAA	
CC[C@@H](C)N[C@@H](c1ccccc1)c1nccs1	123256009	IDMAVXXRWCOFBM-YPMHNXCESA-N	246.379	3.621	0	50	BHAA	
Cc1cc(-c2c[nH]c3cnccc23)cs1	1875290167	CAUSHKKUODUYDC-UHFFFAOYSA-N	214.293	3.600	0	50	BHAA	
CCc1cc(=O)oc2cc(C)c3c(C)coc3c12	95432	IACNASFEBFIQKL-UHFFFAOYSA-N	242.274	3.718	0	50	BHAA	biogenic
Cc1cc(Br)ccc1Br	407114	QKEZTJYRBHOKHH-UHFFFAOYSA-N	249.933	3.520	0	50	BHAA	in-vitro
Clc1cccc(Br)c1Cl	409251	HVKCZUVMQPUWSX-UHFFFAOYSA-N	225.900	3.756	0	50	BHAA	
CC[C@@H](C)c1ccc([C@@H](CC)NC(C)=O)cc1	6731672	CUHCGYSGMKMDLI-IAQYHMDHSA-N	233.355	3.787	0	50	BHAA	
OC(CCc1ccccc1)CCc1ccccc1	15121967	YDNNOTNUWKPRNH-UHFFFAOYSA-N	240.346	3.613	0	50	BHAA	biogenic
Clc1nc2cccc(Cl)c2s1	40845000	MBKFIAXHERNXNL-UHFFFAOYSA-N	204.081	3.603	0	50	BHAA	in-vitro
Clc1ccc(Br)c2ncccc12	64034319	ZYHHRBFTAKZOLH-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Oc1cccc(-c2nccc3ccccc23)c1	65372225	STGPFROIOATLNH-UHFFFAOYSA-N	221.259	3.607	0	50	BHAA	
c1cnc2[nH]cc(-c3csc(C4CC4)n3)c2c1	342406124	DZTKVSRETGFASV-UHFFFAOYSA-N	241.319	3.564	0	50	BHAA	
Cc1ncccc1-c1cc(Cl)ccc1F	669379488	CYZIDRYUPGUEBP-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
Fc1ccc(Cl)cc1-c1cccnc1	669380794	PVNYUDAMYMCZDH-UHFFFAOYSA-N	207.635	3.541	0	50	BHAA	
Cc1noc(C)c1-c1cc(F)cc2cccnc12	1242106047	BXVWGPFXHMYUIM-UHFFFAOYSA-N	242.253	3.646	0	50	BHAA	
CN(C)[C@@H](Cc1ccccc1)c1ccccc1	1664078	YEJZJVJJPVZXGX-INIZCTEOSA-N	225.335	3.532	0	50	BHAA	in-man
O=Cc1ccc2ccn(Cc3ccccc3)c2c1	15424304	BNUVGGFDUDFBKA-UHFFFAOYSA-N	235.286	3.502	0	50	BHAA	
C[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C)C2)C1	238851102	FBBSSGDEXCODGU-MQYQWHSLSA-N	209.377	3.733	0	50	BHAA	in-vitro
Clc1cncc2cccc(Br)c12	253496209	VWZRTGVSAHMYCH-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CC(C)(C)C12C3[C@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12	257357281	NAPDVDHMHLOKDM-CYCUTHDSSA-N	216.368	3.961	0	50	BHAA	
CC[C@H](C)S[C@H]1CC(=O)CCC1(C)C	725360798	JVAPOWFKMAJHCI-ONGXEEELSA-N	214.374	3.666	0	50	BHAA	
Cc1cccc(-c2noc(-c3cccs3)n2)c1	341469	DDOWOMLCCSJYMZ-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
CC(C)P(=O)(NC1CCCC1)C(C)C	342726	OUFRZKIPGLJTNH-UHFFFAOYSA-N	217.293	3.614	0	50	BHAA	
O=Cc1ccc(-c2cc(Cl)ccc2Cl)[nH]1	477345	BCSVHNLLOKEWCD-UHFFFAOYSA-N	240.089	3.801	0	50	BHAA	
CCCNC(=O)Nc1c(Cl)cccc1Cl	2172089	SDVPUHLOERPWEY-UHFFFAOYSA-N	247.125	3.525	0	50	BHAA	
CCC[C@@H](C)n1ncc2[nH]c([C@H](C)CC)nc21	55568675	YKXXXVCJKKMGLS-NXEZZACHSA-N	234.347	3.634	0	50	BHAA	
Cc1ccccc1-c1ccc(C(=O)O)cc1C	65349445	ZGBAXFOVTPCBRW-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
CCCCn1ccnc1-c1c(C)cc(O)cc1C	67559433	GOIXYDPYWVWXKA-UHFFFAOYSA-N	244.338	3.673	0	50	BHAA	
COC(=O)c1cc(F)cc(-c2cccc(C)c2)c1	97756994	DNKZFQKQCRCFQL-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N2CCCC[C@H]2C)c1	123210791	ZJSXTHKGDQMULZ-CYBMUJFWSA-N	246.354	3.710	0	50	BHAA	
Cc1cc(Cl)ccc1CNCc1ccco1	128705576	RQDGTAJBBOZFJN-UHFFFAOYSA-N	235.714	3.531	0	50	BHAA	
CC(=O)OC[C@@H]1C=C(c2ccccc2C)C=CC1	1772715420	UQMJKTNSLJBMAH-AWEZNQCLSA-N	242.318	3.518	0	50	BHAA	
O=C(Nc1ccc(F)cc1)c1ccc(Cl)cc1	238670	JTQXJHNVKLRTTN-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CC(=O)c1c(C)oc2c1cc(O)c1ccccc12	349780	PLXKLMGCHCVFMF-UHFFFAOYSA-N	240.258	3.803	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1)c1cccc(F)c1	361424	OHQGLWLRBYMFAP-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CC1CCN(CCCCOc2ccccc2)CC1	2957054	VECIGXYDTIFFHB-UHFFFAOYSA-N	247.382	3.578	0	50	BHAA	
Cc1cc(Cl)ccc1NC(=O)CC(C)C	11990451	UFPZIQYNMDUNRK-UHFFFAOYSA-N	225.719	3.633	0	50	BHAA	
CC1(C)[C@@H]2C[C@H]1[C@@](C)(Cc1ccccc1)CC2=O	71786462	PKFIQWSOVCJNFW-UNEWFSDZSA-N	242.362	3.871	0	50	BHAA	
C/C=C(\C)c1nc(-c2ccc(C(C)C)nc2)no1	277879819	GNENYABCJQHCGS-BJMVGYQFSA-N	243.310	3.678	0	50	BHAA	
Clc1ncc2c(Cl)c(Cl)ccc2n1	498049506	ZIVSWCQOTFGFRC-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	
Cc1cccc(Oc2ncnc3sccc23)c1	102229	MAOKDPXIIVKQAG-UHFFFAOYSA-N	242.303	3.792	0	50	BHAA	
O=C(Nc1cccc(F)c1)Oc1ccc(F)cc1	400291	CEDZRZNGBHBEQK-UHFFFAOYSA-N	249.216	3.576	0	50	BHAA	
Clc1ccc(CN2CCCCC2)cc1Cl	14193496	BXFQPOSXMHIFOF-UHFFFAOYSA-N	244.165	3.979	0	50	BHAA	
Nc1ccncc1-c1ccc(Cl)cc1Cl	65491307	KVPHDEUNIFCLDO-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
Cc1ccccc1-c1cnc(C2CCOCC2)o1	904762815	PXTBOOTWSXNVAO-UHFFFAOYSA-N	243.306	3.544	0	50	BHAA	
CC(=O)c1ccc(Sc2ccccc2)o1	4543056	NEHXCSMMJGKPLK-UHFFFAOYSA-N	218.277	3.633	0	50	BHAA	
Cc1cc(C)c2c(CC(=O)OC(C)C)coc2c1	16490221	DSZJCCKYMQKTAJ-UHFFFAOYSA-N	246.306	3.544	0	50	BHAA	
C=CCCCC[C@@](C)(C(=O)O)c1ccccc1	45074594	JZHWLMQJEHZIBY-OAHLLOKOSA-N	232.323	3.775	0	50	BHAA	
Cc1ccccc1-c1nc2cc(N)cc(C)c2o1	70461448	WPTJANLKOJUWCK-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
Clc1cccc(Nc2nccc(Cl)n2)c1	118070331	CJBHZQJLFPOTCN-UHFFFAOYSA-N	240.093	3.527	0	50	BHAA	
COc1cncc(-c2cc(Cl)ccc2F)c1	669379843	HLCYFLLCXWVAHM-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
Cc1ccc(C)c(NC(=O)N(C(C)C)C(C)C)c1	396627	FUCXDOHPGRIGEK-UHFFFAOYSA-N	248.370	3.954	0	50	BHAA	
O=C(CCC1CCCC1)Nc1cccc(F)c1	441742	CHXIVYXWZDWJKE-UHFFFAOYSA-N	235.302	3.735	0	50	BHAA	
c1ccc(Nc2ccc3ccccc3n2)cc1	1706864	NSCFHVXOVBMGAK-UHFFFAOYSA-N	220.275	3.978	0	50	BHAA	biogenic
Cc1ccc(-c2csc(C=O)c2)cc1	4541774	IAYLCRLQJVQIEP-UHFFFAOYSA-N	202.278	3.536	0	50	BHAA	
CC(C)c1cc(C(=O)O)cc(C(C)C)c1	19801564	ATZYXOARJYNLLG-UHFFFAOYSA-N	206.285	3.632	0	50	BHAA	
CC[C@H]1C=CCN1Cc1ccc(SC)cc1	952861444	GGBMMQVHQVKXTH-ZDUSSCGKSA-N	233.380	3.559	0	50	BHAA	
Nc1c(Cl)c(Cl)cc(Cl)c1Cl	152558	YTDHEFNWWHSXSU-UHFFFAOYSA-N	230.909	3.882	0	50	BHAA	in-vitro
CC(C)COc1ccc2ccccc2c1	2038824	XOHIHZHSDMWWMS-UHFFFAOYSA-N	200.281	3.875	0	50	BHAA	endogenous,in-man
CC[C@H]1CCCCN1Cc1cnc(Cl)s1	12336291	FEIGSLIOAQWZLT-VIFPVBQESA-N	244.791	3.561	0	50	BHAA	
O=Cc1c(Cl)cc(C(F)(F)F)cc1Cl	34365061	QIZGUWRKKZYYJA-UHFFFAOYSA-N	243.011	3.825	0	50	BHAA	in-vitro
CC(C)(C)[C@@H]1C[C@@H]2O[C@@H]2[C@@H]([Si](C)(C)C)C1	225450735	NOBFKOZQKMCAJZ-RHYQMDGZSA-N	226.436	3.918	0	50	BHAA	
Fc1cccc(Cl)c1-c1cccnc1	232080801	VJLNEENZIAYXSC-UHFFFAOYSA-N	207.635	3.541	0	50	BHAA	
CCCOc1cc(Cl)cc(Cl)c1F	261494227	SFVPOVGTKRSOGB-UHFFFAOYSA-N	223.074	3.921	0	50	BHAA	
Cc1cc(C)nc(Nc2ccc(Cl)cc2C)n1	150104	SXZQBHIETAQNHQ-UHFFFAOYSA-N	247.729	3.799	0	50	BHAA	
COc1ccc(NC2CCC(C)CC2)cc1OC	5393133	ARQBMUXTWUMSCI-UHFFFAOYSA-N	249.354	3.694	0	50	BHAA	
CCC/C=C/c1ccc([C@@H](C)NC(C)=O)cc1	67846994	LGKHQWBDYWMAIK-NNNHXZLVSA-N	231.339	3.697	0	50	BHAA	
Fc1ccc(Cl)c(Br)c1Cl	85210471	PSFKDXYTCKEBSN-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
CCCOc1cc(Cl)cc(Cl)c1	85224764	IBRUXLCKZCXLBF-UHFFFAOYSA-N	205.084	3.782	0	50	BHAA	
Cc1cccc(CN(C)Cc2cccc(C)c2)c1	518459520	SGPIYGFIQLYXLP-UHFFFAOYSA-N	239.362	3.935	0	50	BHAA	
c1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)cc1	657713424	RDQIJTUJJKZYSB-IAGOWNOFSA-N	237.346	3.722	0	50	BHAA	
Cc1ccc(Sc2ccc(C=O)o2)cc1	227063	RQCQYRQPIGDHKV-UHFFFAOYSA-N	218.277	3.552	0	50	BHAA	in-vitro
CCN(CC)CCCCCOc1ccc(C)cc1	2493538	HMQOAGGLBDAPSQ-UHFFFAOYSA-N	249.398	3.886	0	50	BHAA	
C[C@H](NCC1CCCCC1)c1ccccc1	4167524	UHABCGJJMSQRRP-ZDUSSCGKSA-N	217.356	3.918	0	50	BHAA	
c1ccc(Cn2cnc(-c3ccccc3)c2)cc1	4846067	UDWGOYHXWHWLAW-UHFFFAOYSA-N	234.302	3.598	0	50	BHAA	
Cc1ccc([C@H](C)CCN2CCC(C)CC2)o1	5031998	ZHLIZAIZZJBAOF-CYBMUJFWSA-N	235.371	3.814	0	50	BHAA	
Cc1c(C)n(C)c2ccc3ccccc3c12	16756383	KQMROBBTYFXFOV-UHFFFAOYSA-N	209.292	3.948	0	50	BHAA	
CCN(CC)CCC(=O)c1ccc(C(C)C)cc1	269299	RXXZVGHIGLEKQL-UHFFFAOYSA-N	247.382	3.725	0	50	BHAA	
O=C(CSCc1ccccc1)c1ccccc1	396460	OUNLDCIYHQIIQM-UHFFFAOYSA-N	242.343	3.803	0	50	BHAA	
Fc1ccc2cc(Br)ccc2c1	1595344	CAJAZWLCCNCVEY-UHFFFAOYSA-N	225.060	3.741	0	50	BHAA	in-vitro
CCCCN(CCCC)C(=O)c1ccccc1	1698905	RYGJQVQEGCQNHM-UHFFFAOYSA-N	233.355	3.729	0	50	BHAA	
CCCCOC(=O)Nc1cccc(C)c1C	1770641	ALEVJXSZJUSDBW-UHFFFAOYSA-N	221.300	3.652	0	50	BHAA	
Cc1ccc(NC(=O)c2c(C)coc2C)cc1C	9764042	OZRCAXLTDLKRKZ-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
CCSc1cc(C)c2cccc(OC)c2n1	11907527	AIOQDJNGXVJECS-UHFFFAOYSA-N	233.336	3.664	0	50	BHAA	
Fc1cc(C(F)(F)F)c(Cl)nc1Cl	30714916	VVXQCTFINCODIF-UHFFFAOYSA-N	233.979	3.546	0	50	BHAA	in-vitro
Cc1ccc(F)c(-c2nc(C3CCCC3)n[nH]2)c1	52984438	GAZXWRIUMAGPAB-UHFFFAOYSA-N	245.301	3.577	0	50	BHAA	
c1ccc2c(c1)C1c3ccccc3C2[C@H]2C[C@H]12	101020700	CIDHTKPJWDPQRW-JUVOFCAFSA-N	218.299	3.914	0	50	BHAA	
O=C(O)c1ccc2oc(C3CCCC3)cc2c1	114957589	JBEILVKQALNUNL-UHFFFAOYSA-N	230.263	3.789	0	50	BHAA	
CC(C)(C)[C@@H]1CC=C([Si](C)(C)C)[C@@H](O)C1	169827548	SSOZKSWGJTVHNK-MNOVXSKESA-N	226.436	3.607	0	50	BHAA	
c1coc(CNc2ccc3scnc3c2)c1	192256855	UIJXTFZQKGVEBL-UHFFFAOYSA-N	230.292	3.501	0	50	BHAA	
CC1(C)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@@H]1C=C[C@H]12	230110081	FKKLDLHRVFCMQW-XOUADPBQSA-N	238.334	3.948	0	50	BHAA	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CC=CCC1	246337060	ITMMJZSWUWICQF-CBBWQLFWSA-N	247.382	3.522	0	50	BHAA	
COc1ccc(F)cc1-c1ccc(C)nc1C	1239720202	IJDVMKVWFRKNJJ-UHFFFAOYSA-N	231.270	3.513	0	50	BHAA	
O=Cc1ccc(Sc2ccc(Cl)cc2)nc1	169500	GDUCSOHYPPLYFQ-UHFFFAOYSA-N	249.722	3.699	0	50	BHAA	
Cc1cccc(Cl)c1NC(=O)OC(C)C	397264	JUYNSNPNCJFKMU-UHFFFAOYSA-N	227.691	3.605	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)c1ccoc1C	6278572	CEMALEQOBFCPDS-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
CC(C)(C)c1ccccc1Oc1ncccc1N	20081108	WPGHJCCTOPOERH-UHFFFAOYSA-N	242.322	3.754	0	50	BHAA	
Nc1ccc(-c2ccc(Cl)c(Cl)c2)cn1	21950960	PGOCYRNAFOGGFT-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
Fc1cc(F)c(C(F)F)c(Br)c1	263624286	OZCKUFPUKRFSTM-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
O=C(Nc1ccccc1)Nc1ccc(F)cc1F	314746	FLQFFTIBMUTTAY-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CC(=O)c1ccc2noc(-c3ccccc3)c2c1	546763	VQFCWDRAGUGXCP-UHFFFAOYSA-N	237.258	3.697	0	50	BHAA	
O=C1Nc2cc(Cl)ccc2Nc2ccccc21	2387146	YVWNDABPZGGQFE-UHFFFAOYSA-N	244.681	3.649	0	50	BHAA	biogenic,in-vitro
Clc1ccc(-n2cccc2)cc1Cl	4237748	XHHDJQFPLRCAJU-UHFFFAOYSA-N	212.079	3.784	0	50	BHAA	in-vitro
O=C(Nc1ccccc1)c1cc(Cl)ccc1F	7069545	XBUCTSMDGJKORK-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
COc1ccc(/C=C\c2ccc(OC)cc2)cc1	13560693	CAWFCZIEFIQKRV-ARJAWSKDSA-N	240.302	3.874	0	50	BHAA	
C[C@@H]1CCC[C@H](/C=C/Nc2cccc(F)c2)C1=O	1776111214	GWWOPNSQFMLRMU-SVKHLYGUSA-N	247.313	3.757	0	50	BHAA	
CC=CCSCc1nnc(-c2ccccc2)o1	1857533292	JOSBGDLNBVSYPN-UHFFFAOYSA-N	246.335	3.546	0	50	BHAA	
Cc1nnc(-c2ccccc2)c(-c2ccccc2)n1	45558	WOWXDXVLJFZZQB-UHFFFAOYSA-N	247.301	3.514	0	50	BHAA	
CCN(CC)C(=O)Nc1cc(Cl)ccc1C	395395	UBQZPNHEIZEAQH-UHFFFAOYSA-N	240.734	3.522	0	50	BHAA	
c1cc2[nH]ncc2cc1NCC1CCCCC1	757594	YUPFZKBGNQZXIR-UHFFFAOYSA-N	229.327	3.555	0	50	BHAA	
O=P(O)(Cc1ccccc1)Cc1ccccc1	758704	LGMGVCQVPSHUCO-UHFFFAOYSA-N	246.246	3.657	0	50	BHAA	
Cc1cc(Cl)c(Br)cc1F	2512507	KKCFZSZRHRVSRA-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	biogenic,in-vitro
Cc1cc(Cl)ccc1NC(=O)C1CCCC1	3553962	SVMYKHWYZABWFU-UHFFFAOYSA-N	237.730	3.777	0	50	BHAA	
CCC[C@@H](NC(C)=O)C12CC3CC(CC(C3)C1)C2	13330754	ODTPGAMXYJKIMX-IBHBGHMQSA-N	249.398	3.508	0	50	BHAA	
Fc1cc(Cl)c(S)c(Br)c1	36532995	AGVKZMPGOYRELC-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
CC(C)(C)OCc1cccc(Br)c1	49601132	VHQMJBMYCNCTDK-UHFFFAOYSA-N	243.144	3.764	0	50	BHAA	
C[C@@H]1[C@H]2C[C@@H](C[C@@H]2[C@H]2CCC[C@H](O)C2)C1(C)C	253590071	BWVZAZPLUTUBKD-MNQBEEPXSA-N	236.399	3.856	0	50	BHAA	endogenous,in-man
Cc1cc(Cl)c(-c2cncc(O)c2)cc1F	1875242541	SQXNEZUCRSZTGD-UHFFFAOYSA-N	237.661	3.555	0	50	BHAA	
CC(C)c1cc2cc3ccc(=O)oc3cc2o1	41291	KVHBNBMOEQQULB-UHFFFAOYSA-N	228.247	3.663	0	50	BHAA	biogenic,in-vitro
Cc1ccc(SC(=O)c2ccccc2)cc1	4159313	KMGHFAGCHUDSMG-UHFFFAOYSA-N	228.316	3.928	0	50	BHAA	
CC(C)CC(=O)c1ccc(Br)cc1	33469153	XNZHSJUQYSQITA-UHFFFAOYSA-N	241.128	3.678	0	50	BHAA	
Cc1coc2cccc(Br)c12	82373800	UVSSOPQSGLQQRX-UHFFFAOYSA-N	211.058	3.504	0	50	BHAA	
CC(=O)c1sc(Cl)c(Cl)c1Cl	2173325	WQUPBUNZMUOHGG-UHFFFAOYSA-N	229.515	3.911	0	50	BHAA	
Clc1nc2ccc(Br)cc2s1	2455704	IJQSMNIZBBEBKI-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
Cc1cccc(OCCCN2CCCCCC2)c1	2838770	USZCTAGGFGBSBS-UHFFFAOYSA-N	247.382	3.640	0	50	BHAA	
O=C(O)c1cc(-c2ccccc2)ccc1Cl	20397755	VQEKSOLICHLCHS-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Cc1cc(O)c(C(C)(C)C)cc1C(=O)C1CC1	129731338	YZGVAJAZKQYKIK-UHFFFAOYSA-N	232.323	3.591	0	50	BHAA	
CC(C)(C)c1ccc(-c2csc(N)n2)cc1	35861	ABCNUVGFUGMTOA-UHFFFAOYSA-N	232.352	3.690	0	50	BHAA	
O=C(Nc1cccc(F)c1)c1cccc(Cl)c1	91564	YACAPFWEOQHURP-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CC(=O)N(Cc1ccco1)[C@@H](C)CCC=C(C)C	2116419	XZNRWRBZRCYUNF-ZDUSSCGKSA-N	249.354	3.763	0	50	BHAA	biogenic
CCc1ccc(C(=O)Nc2cccc(F)c2)cc1	3548445	IWGCEDMWBBKMOR-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
Brc1ccc(-c2ccncc2)cc1	5331402	GYJBDJGUNDKZKO-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
Cc1ccc2oc(-c3ccc(O)cc3)nc2c1	367721	AJGLTOHCHWCJRR-UHFFFAOYSA-N	225.247	3.509	0	50	BHAA	
Fc1ccc(C(Cl)(Cl)Cl)cc1	1706165	XOJYLEJZALFLLW-UHFFFAOYSA-N	213.466	3.652	0	50	BHAA	in-vitro
CC[C@@H](C)NC(=O)Nc1cccc2ccccc12	2888913	WOZVNJUAPZXJAW-LLVKDONJSA-N	242.322	3.760	0	50	BHAA	
Nc1nc2ccc(Oc3ccccc3)cc2s1	3226835	AGCIBKULIKCGAH-UHFFFAOYSA-N	242.303	3.671	0	50	BHAA	
COc1cc(Cl)ccc1-c1cccc(N)c1	74937826	XPSBSILNNXYEDS-UHFFFAOYSA-N	233.698	3.598	0	50	BHAA	
Cc1cc(C(F)(F)C(F)(F)F)ccc1F	91675832	FACWREQVTVNUJH-UHFFFAOYSA-N	228.135	3.788	0	50	BHAA	
Cc1ccc(-c2cn3cccc(C)c3n2)cc1C	4235069	MEVZPXMHDCHLDE-UHFFFAOYSA-N	236.318	3.927	0	50	BHAA	
COc1cc(C)c(CN2CCC(C)CC2)cc1C	4988879	VVANCGUCQPJIEQ-UHFFFAOYSA-N	247.382	3.544	0	50	BHAA	
Fc1c(Br)cccc1C(F)F	66309144	MFYNCTJUIOMWME-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
FC(F)(F)c1cccc2c(Cl)nccc12	66331912	VTLLEQMXSWJONO-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
CC(C)(C)c1nccn1C1Cc2ccccc2C1	71751955	ZUBBDHLBIGIOEI-UHFFFAOYSA-N	240.350	3.521	0	50	BHAA	
Clc1cccc2c(Br)nccc12	82766527	OEWLUXJBVGFCGR-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Cc1cc([C@@H]2C[C@H]3CC[C@H]2C3)cc(C)c1O	101811724	OYGWGOYYCCNMSN-SGMGOOAPSA-N	216.324	3.913	0	50	BHAA	
O=C1CC[C@]2(c3ccccc3)[C@@H]1[C@H]2c1ccccc1	105248752	IJXHRYRHSFUZEX-FGTMMUONSA-N	248.325	3.701	0	50	BHAA	
CC(C)[C@H]1COC(c2cc3ccccc3s2)=N1	222529118	OTGHXNJERRFHMD-LLVKDONJSA-N	245.347	3.703	0	50	BHAA	
CC1=CC[C@H]2C[C@H]1[C@@H](C(C)C)OC2(C)C	230554103	PPMAEMKMTUAUDS-YNEHKIRRSA-N	208.345	3.792	0	50	BHAA	
Nc1nc(-c2cccc3ccccc23)cs1	35886	NBQUWOCIFFHZTM-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	
c1ccc(C2(N3CCCC3)CCCCC2)cc1	1481918	FYOWWXMGDATDQY-UHFFFAOYSA-N	229.367	3.942	0	50	BHAA	in-man
Oc1ccc(-c2ccc(Cl)c(F)c2)cc1	16946953	DBNVNCYZHMXJJL-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	
Cc1cc2c(c3ccccc13)CCCC2=O	34612504	KWIPEUUFEJMWLB-UHFFFAOYSA-N	210.276	3.667	0	50	BHAA	
Fc1c(S)cc(Cl)cc1Br	263620162	GHHLZVFNWIFKHO-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
Cc1ccc(-n2cccc2)c(Br)c1	1519662	GVOGUJBMHXFQFN-UHFFFAOYSA-N	236.112	3.548	0	50	BHAA	in-vitro
Nc1ccc(-c2cccc(Cl)c2)cc1	2574124	PJRIDSFGNYBNEE-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
Cc1ccc(OCCCN(C)C)c(C(C)(C)C)c1	2822547	XPZBLDLOUQSLOF-UHFFFAOYSA-N	249.398	3.623	0	50	BHAA	
Cc1cc(F)ccc1C(=O)Nc1cccc(F)c1	4858119	LXBJLSUNMOSFFZ-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
c1ccc2c(c1)N1CCCN=C1C21CCCCC1	184555	MFIZZEVNBDGFMC-UHFFFAOYSA-N	240.350	3.511	0	50	BHAA	biogenic
Cc1ccc2nc(C)c3cc(C)oc3c2c1	229398	XFJIWMACJMSMBL-UHFFFAOYSA-N	211.264	3.906	0	50	BHAA	biogenic
Fc1ccccc1-c1nc(-c2ccccc2)no1	4008265	KHDXKUPLQGEWMA-UHFFFAOYSA-N	240.237	3.543	0	50	BHAA	
CC[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1	6725653	DGLBTEVPHTXNNB-CQSZACIVSA-N	246.354	3.791	0	50	BHAA	
CCC(=O)c1cccc(OCc2ccccc2)c1	62722731	JSKCFWWAJLLROT-UHFFFAOYSA-N	240.302	3.858	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(C(=O)O)cc2C)cc1F	65350072	ILXUGAMSUNSJBT-UHFFFAOYSA-N	244.265	3.808	0	50	BHAA	in-vitro
COc1ccc(-c2cnccc2C)cc1Cl	65380629	JRIGCMRRAFDZST-UHFFFAOYSA-N	233.698	3.719	0	50	BHAA	
CC(C)[C@@H](c1ccccc1)N([O])C(C)(C)C	103621856	VGHCMXLEZFMZOZ-ZDUSSCGKSA-N	220.336	3.830	0	50	BHAA	
C=C[C@H](CCC(=C)C)[C@H](C(=O)O)[Si](C)(C)C	169833290	MCMUBZWTRLTXEW-VXGBXAGGSA-N	240.419	3.938	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N[C@@H](C)C(C)(C)C)c1	6731018	ZWZCHPXBJQTPDA-LBPRGKRZSA-N	248.370	3.860	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC2	20357628	HKWKGFDFWWEOOS-UHFFFAOYSA-N	233.311	3.522	0	50	BHAA	
CCCOc1ncc(C(F)(F)F)cc1Cl	198002330	RHTGHKPUVDYIFW-UHFFFAOYSA-N	239.624	3.543	0	50	BHAA	
COc1ccc2cc(Br)ccc2c1	164677	AYFJBMBVXWNYLT-UHFFFAOYSA-N	237.096	3.611	0	50	BHAA	in-vitro
O=C(Nc1ccc(F)cc1)Oc1ccccc1F	399795	CKBPTXQQBFHDEY-UHFFFAOYSA-N	249.216	3.576	0	50	BHAA	
CC[C@@]1(CC(C)(C)c2ccccc2)OC[C@H](C)O1	451669	UDBZSGMJLUTCPL-XJKSGUPXSA-N	248.366	3.896	0	50	BHAA	
CCCOC(=O)Nc1c(C)cccc1Cl	2172172	ZSTSTPFEWHIEQZ-UHFFFAOYSA-N	227.691	3.607	0	50	BHAA	
Cc1nc2ccc(NC(=O)C(C)(C)C)cc2s1	2651551	BFNRKPLZJDHGNB-UHFFFAOYSA-N	248.351	3.589	0	50	BHAA	
CC(C)=CCC[C@H](C)NCCC[C@@H]1CCOC1	20999763	WXWCRVKRXILBDY-LSDHHAIUSA-N	239.403	3.528	0	50	BHAA	
CCC[C@H](C)c1nc2c(cnn2[C@H](C)CC)[nH]1	48319792	SJNDTDOHMIFOEI-VHSXEESVSA-N	234.347	3.634	0	50	BHAA	
C1=C(Cc2ccncc2)c2ccccc2CC1	96027175	HGIDFJBWIUSXIL-UHFFFAOYSA-N	221.303	3.654	0	50	BHAA	
CC[C@H](C)c1csc([C@H]2CCCO2)n1	136477152	LDRAMTPOKASDRJ-WCBMZHEXSA-N	211.330	3.508	0	50	BHAA	
CC[C@@H](C)S[C@@H]1CC(=O)CCC1(C)C	725360797	JVAPOWFKMAJHCI-MWLCHTKSSA-N	214.374	3.666	0	50	BHAA	
O=Cc1cn(Cc2ccccc2)c2ccccc12	87953	OXCITQLDOUGVRZ-UHFFFAOYSA-N	235.286	3.502	0	50	BHAA	biogenic,in-vitro
Cc1ccc(NC(=O)N(C(C)C)C(C)C)c(C)c1	395282	JGBXEIMERSXFAY-UHFFFAOYSA-N	248.370	3.954	0	50	BHAA	
Cc1ccc(Cc2ccccc2C(=O)O)c(C)c1	404954	PHJHQQRPTLQNEJ-UHFFFAOYSA-N	240.302	3.592	0	50	BHAA	
CCC(C)(C)[C@@H]1CCCC[C@@H]1OC(C)=O	410088	YEVACTAGDANHRH-NEPJUHHUSA-N	212.333	3.545	0	50	BHAA	endogenous,in-man
CC(C)C(=O)Nc1ccc2c3c(cccc13)CC2	449751	MCTCYCJSZVAUOX-UHFFFAOYSA-N	239.318	3.533	0	50	BHAA	
CCc1cccc(CC)c1NC(=O)c1ccco1	456834	SBWNVHBEJWNDCI-UHFFFAOYSA-N	243.306	3.657	0	50	BHAA	
CC(C)n1ccnc1-c1ccc2ncccc2c1	426474387	QCBSUKAJTGSXSW-UHFFFAOYSA-N	237.306	3.679	0	50	BHAA	
C[C@@H]1CCCC[C@H]1Oc1ccc(CCCO)cc1	584907170	ZIKTUEUPTXROBT-CZUORRHYSA-N	248.366	3.569	0	50	BHAA	
Cc1cccc2c3c([nH]c12)C(=O)CC(C)(C)S3	310482	OFUVWSAHCAVDLR-UHFFFAOYSA-N	245.347	3.933	0	50	BHAA	
CC[C@H](C)c1ccc(OCCN2CCCC2)cc1	4845297	YSRMSTNSTBBILJ-AWEZNQCLSA-N	247.382	3.675	0	50	BHAA	
Oc1cccc(-c2cccc(Cl)c2)c1	16946974	FRQIKHFDYHKAHE-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	in-vitro
C[C@@H]1CCCC[C@H]1NC(=O)CCCC(C)(C)C	170621182	URXIKBCJQXTMDC-CHWSQXEVSA-N	239.403	3.898	0	50	BHAA	
c1ccc2c(c1)[C@H]1C[C@H]2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	253588847	VWMIKOJUDBEKIP-DBUDRKNWSA-N	210.320	3.933	0	50	BHAA	
Cc1ccc(NC(=O)c2cccc(F)c2)c(C)c1	362097	UXPNKBJYFJHMIA-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1ccc(NC(=O)N(C(C)C)C(C)C)cc1C	397191	WVOWYELRMXXBIW-UHFFFAOYSA-N	248.370	3.954	0	50	BHAA	
COc1ccc2[nH]c(-c3ccccc3)cc2c1	410252	XLYAWBZMLNSOBU-UHFFFAOYSA-N	223.275	3.844	0	50	BHAA	in-vitro
COc1ccc(C)cc1N[C@H]1CCC[C@@H](C)C1	439032	QKIMPGNKKYHZLZ-YPMHNXCESA-N	233.355	3.994	0	50	BHAA	
CCC(C)(C)NC(=O)CCC1CCCCC1	620474	CSHGECVISZATBK-UHFFFAOYSA-N	225.376	3.652	0	50	BHAA	
O=C(CCc1ccccc1)CCc1ccccc1	1673354	JENANTGGBLOTIB-UHFFFAOYSA-N	238.330	3.821	0	50	BHAA	
CCCCCCNc1cc(C)nc(C(C)C)n1	4087981	XLRTXCXBSLBLLX-UHFFFAOYSA-N	235.375	3.901	0	50	BHAA	
CC(C)CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	100083538	MPYYVGIJHREDBO-LALPHHSUSA-N	238.371	3.791	0	50	BHAA	
CC(C)[C@H]1CNc2ccc(C(F)(F)F)cc2C1	109608979	XUAVLHBJQNYFGJ-SNVBAGLBSA-N	243.272	3.946	0	50	BHAA	
Cc1cc(C)cc([C@@H](O)c2ccc(F)cc2)c1	4255618	JZKVGVUPHRDZIT-HNNXBMFYSA-N	230.282	3.524	0	50	BHAA	
O=C(Cc1ccc(Cl)cc1)c1ccccc1F	38126437	BHHYZUFRAHGUGC-UHFFFAOYSA-N	248.684	3.905	0	50	BHAA	
Cc1c(Cl)ccc2ccc(Cl)nc12	65337476	FJWUNDFOALTTAM-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
Oc1cc(OCc2ccccc2)ccc1Cl	114122449	WMQUMGDCWBHBCC-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
NC1(c2cccc(Cl)c2)CCC(F)(F)CC1	255189269	OUBLYRLBPOZUBH-UHFFFAOYSA-N	245.700	3.703	0	50	BHAA	
CC[C@@H](C)N(CC)Cc1cc(O)ccc1Cl	1620414005	NHKYLOBLDCZRDI-SNVBAGLBSA-N	241.762	3.666	0	50	BHAA	
Cc1cccc(NC(=O)/C=C/c2ccccc2)c1	58786	DCZZGCCJBFBLOX-ZHACJKMWSA-N	237.302	3.647	0	50	BHAA	
CC(C)c1ccc(NC(=O)N2CCCCC2)cc1	392891	VYXHSNOWIZJENX-UHFFFAOYSA-N	246.354	3.828	0	50	BHAA	
COc1cc(NCC2CCCCC2)cc(OC)c1	757705	JRKWLVDPAIOQAD-UHFFFAOYSA-N	249.354	3.696	0	50	BHAA	
Cc1ccc(OC(F)(F)C(F)(F)F)cc1	39566056	WRPAREFSOUFJMM-UHFFFAOYSA-N	226.144	3.529	0	50	BHAA	
C=C[C@@H](CCC(=C)C)[C@H](C(=O)O)C(C)C	43198923	CXLKJULDNNMQCF-NWDGAFQWSA-N	210.317	3.502	0	50	BHAA	
CCOc1cccc(Cl)c1Br	95495712	RHIQFKXMYDOGRW-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	
C1=CC[C@@]23CSC[C@@]2(C1)Cc1ccccc1C3	101037068	ZEHLKKQWOFVPTO-HZPDHXFCSA-N	242.387	3.855	0	50	BHAA	
Cc1oc(C(C)C)c(C(=O)O)c1C(C)C	958528231	LFEBOPQRTIEKNS-UHFFFAOYSA-N	210.273	3.533	0	50	BHAA	
CC(C)(C)c1ccc2sc(C(=O)O)cc2c1	2536925	AFIRGXFORSDNIY-UHFFFAOYSA-N	234.320	3.897	0	50	BHAA	
CCCCNCCCCOc1ccc(C)cc1C	2900162	BJPHRXXKVQHXMO-UHFFFAOYSA-N	249.398	3.852	0	50	BHAA	
CCc1ccc(OCCCCN2CCCC2)cc1	2901598	IYLDLFRRBHSAKH-UHFFFAOYSA-N	247.382	3.504	0	50	BHAA	
CCc1ccc(OCCCCN(CC)CC)cc1	2904058	JVYQYOFDYQOEJE-UHFFFAOYSA-N	249.398	3.750	0	50	BHAA	
COc1c(C(C)C)cc(C(=O)O)cc1C(C)C	34760137	IIDVLGKHIXHIMH-UHFFFAOYSA-N	236.311	3.640	0	50	BHAA	
Nc1ncc(C2(c3ccccc3)CCCC2)s1	379342	LTWNJQYTRJGESN-UHFFFAOYSA-N	244.363	3.585	0	50	BHAA	
CC(C)(C)c1nc(=S)c2c(o1)CCCC2	405064	HDXJORILQCRRTE-UHFFFAOYSA-N	223.341	3.580	0	50	BHAA	
CC(C)(C)C(=O)c1ccc(Br)cc1	2514232	LFGBQDTUMQMUQJ-UHFFFAOYSA-N	241.128	3.678	0	50	BHAA	
Clc1cc(Br)c2cc[nH]c2c1	14983150	FWMOVLKMGUEKOT-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
COC(=O)c1ccc(-c2ccc(F)c(C)c2)cc1	97757227	ICYCBFVLNBITME-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
C1=C(CCNCc2ccccc2)c2ccccc2C1	408513045	NCUQBYYZTPEWDK-UHFFFAOYSA-N	249.357	3.806	0	50	BHAA	
NCc1cccc(Oc2ccc(Cl)cc2)c1	2576556	OARRDZAFQFAGKN-UHFFFAOYSA-N	233.698	3.591	0	50	BHAA	in-vitro
Cc1ccc([C@@H](O)c2cc(C)cc(C)c2)cc1	4290261	FDWAFEHDUXKBBX-MRXNPFEDSA-N	226.319	3.694	0	50	BHAA	
CCCOc1ccc(Br)c(C)c1	38537476	OVTXNCOKSQVUIW-UHFFFAOYSA-N	229.117	3.546	0	50	BHAA	in-vitro
C[C@@H]1CCC(=O)C[C@@H]1Sc1ccccc1	207756391	DUTUEUMDWDCSMC-MFKMUULPSA-N	220.337	3.536	0	50	BHAA	
CC(C)(C)C1CC(N(C(=O)C2=CCC2)C2CC2)C1	2325752374	UJDFZTZHKVOJNO-UHFFFAOYSA-N	247.382	3.522	0	50	BHAA	
O=C(O)c1ccc(Oc2ccc(Cl)cc2)cc1	2386680	YVVCMTFJWOYNJW-UHFFFAOYSA-N	248.665	3.831	0	50	BHAA	
CC(C)(C)c1ccc(F)c(Br)c1	65337418	ADCKDGLOIVDKBH-UHFFFAOYSA-N	231.108	3.886	0	50	BHAA	in-vitro
Oc1ccc(-c2csc(-c3ccco3)n2)cc1	84896689	YUNHENWNWHOMJD-UHFFFAOYSA-N	243.287	3.776	0	50	BHAA	
Oc1cc(Cl)ccc1OCc1ccccc1	115277981	LXNZCTRVSFASBU-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccsc1	246426674	SMXXFNWEYQMNGI-NTZNESFSSA-N	249.379	3.541	0	50	BHAA	
CC(C)C(=O)Nc1cc(Cl)cc(Cl)c1	302158	YJQGNYHTBOOPTH-UHFFFAOYSA-N	232.110	3.588	0	50	BHAA	
CCC(=O)c1ccc(-c2ccc(O)cc2)cc1	389304	BIUZNGDMJVPQPO-UHFFFAOYSA-N	226.275	3.652	0	50	BHAA	
CC(C)(C)CC(C)(C)CC(C)(C)NCCCN	1640024	DOTLTZDNWUWACH-UHFFFAOYSA-N	242.451	3.556	0	50	BHAA	
S=c1sc2c(s1)SCS2	2508340	NFKGILAHEQYFBG-UHFFFAOYSA-N	210.395	3.694	0	50	BHAA	in-vitro
Nc1ccccc1Oc1cccc(Cl)c1	2538755	CADLUJRSKCJOCP-UHFFFAOYSA-N	219.671	3.715	0	50	BHAA	
CCCOC(=O)c1[nH]c2ccccc2c1CCC	601013385	PGMYPHVUTHNFCX-UHFFFAOYSA-N	245.322	3.687	0	50	BHAA	
CCOc1cccc(OCC)c2c(C)nc(C)c1-2	54457	MBQYKDRORDKJIU-UHFFFAOYSA-N	245.322	3.601	0	50	BHAA	
Brc1csc2ccccc12	158713	SRWDQSRTOOMPMO-UHFFFAOYSA-N	213.099	3.664	0	50	BHAA	biogenic,in-vitro
CCCCN(C)C(=O)Nc1cccc(Cl)c1	2161845	ZARXGSLQERUNSR-UHFFFAOYSA-N	240.734	3.604	0	50	BHAA	
CCCOC(=O)Nc1ccc(Cl)c(Cl)c1	2170909	VNIWDHNEDXSXER-UHFFFAOYSA-N	248.109	3.952	0	50	BHAA	
Cc1cc(=O)oc2cc(OCCC(C)C)ccc12	3905502	YPFDVBLXFDAPJT-UHFFFAOYSA-N	246.306	3.526	0	50	BHAA	biogenic
CC1=C[C@H](C)[C@H]2CO[C@H](c3cccnc3)[C@H]1[C@@H]2C	100537445	DYAZCFMRGIURJU-NIHBDADESA-N	243.350	3.617	0	50	BHAA	
C=CC=C1[C@H]2CC[C@H]1c1c(OC)ccc(OC)c12	101037668	FKVBGICXOWQDCH-VXGBXAGGSA-N	242.318	3.791	0	50	BHAA	
COc1ccc(C)cc1-c1ccc(C(C)C)nn1	1239763542	ABHFEPSWUHUSHL-UHFFFAOYSA-N	242.322	3.584	0	50	BHAA	
ClC1(Cl)c2ccccc2-c2ncccc21	109499	BSSOGTQGKNKPLG-UHFFFAOYSA-N	236.101	3.741	0	50	BHAA	
CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1	394751	HTVITOHKHWFJKO-UHFFFAOYSA-N	242.318	3.814	0	50	BHAA	biogenic,in-vitro
O=Cc1cc(C(F)(F)F)ccc1C(F)(F)F	2568276	PICGJIQKPLBIES-UHFFFAOYSA-N	242.118	3.537	0	50	BHAA	in-vitro
c1ccc(CCSCCc2ccncc2)cc1	2810253	SDPYIWYGSDDNMM-UHFFFAOYSA-N	243.375	3.600	0	50	BHAA	
Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)c(C)c1	6731844	WFQGVOATHIRVNV-GFCCVEGCSA-N	246.354	3.567	0	50	BHAA	
Sc1nc(-c2ccc(Cl)cc2)cs1	13143135	LXFBSCKJEIVRGP-UHFFFAOYSA-N	227.741	3.752	0	50	BHAA	in-vitro
CCNC/C=C/COc1ccc(C(C)(C)C)cc1	16622034	GOGWCMLWZUVSNY-VOTSOKGWSA-N	247.382	3.529	0	50	BHAA	
Fc1ccc(Br)cc1C(F)F	59796808	YHQZVEGLXIBPRA-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
Cc1cc[n+](C23CC4CC(CC(C4)C2)C3)cc1C	65336771	VHHZDJYUFZYTOF-UHFFFAOYSA-N	242.386	3.516	0	50	BHAA	
Clc1cccc2ccc(Br)nc12	65337490	QSVCZJXVMARGOP-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CC(C)(C)c1ccc(Br)c(F)c1	115244377	SYOOUBIFOOVLMY-UHFFFAOYSA-N	231.108	3.886	0	50	BHAA	
CC(=O)OCc1ccc(-c2ccccc2C)cc1	642771916	RIKOWCURBLYPNQ-UHFFFAOYSA-N	240.302	3.725	0	50	BHAA	
C[C@H](N)c1ccc(-c2ccnc(C(F)F)c2)cc1	725273468	FLIMYFKNAFQWGW-VIFPVBQESA-N	248.276	3.706	0	50	BHAA	
C=CC(=O)OCCCCCCCC(C)C	2039623	LVGFPWDANALGOY-UHFFFAOYSA-N	212.333	3.712	0	50	BHAA	
CCCCOC(=O)CP(=O)(CCC)CCC	3127760	XCGDOLSAPOZUKK-UHFFFAOYSA-N	248.303	3.513	0	50	BHAA	
O=C(O)c1ccc(-c2ccc3ccccc3n2)cc1	31997548	LHQTVFZTJQJXMP-UHFFFAOYSA-N	249.269	3.600	0	50	BHAA	
Cc1cc(C(=O)O)ccc1-c1cc(F)cc(F)c1	65350388	KUOWROUZXJHRQV-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	
Cc1ccc(C)c(C(=O)Nc2ccccc2C)c1	514640	JNQKOKGDOOISTH-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CCCCC/C=C/C(=O)Nc1ccccc1	2810275	FSFMUVMHTIWDRM-FMIVXFBMSA-N	217.312	3.762	0	50	BHAA	
CC1(C)c2ccccc2-c2ccc(O)cc21	16697775	FEHWLBQCZZOZBU-UHFFFAOYSA-N	210.276	3.699	0	50	BHAA	
C1=CC[C@@]23C=C[C@@]2(C1)Cc1ccccc1C3	101037726	PPNLCXLEESNQBQ-HOTGVXAUSA-N	208.304	3.678	0	50	BHAA	
Fc1cc(OC(F)F)cc(Cl)c1Cl	263624093	NHKJCGYVGMNMFM-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
c1cc(OC2CCCCC2)cc(-c2cc[nH]n2)c1	793363545	MRMQYHJBVMTQDV-UHFFFAOYSA-N	242.322	3.788	0	50	BHAA	
CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2	390827	YLDDCEXDGNXCIO-SNVBAGLBSA-N	219.328	3.783	0	50	BHAA	biogenic
Cn1c(-c2ccco2)nc2c3ccccc3ccc21	444247	USNXYJKYNHHECX-UHFFFAOYSA-N	248.285	3.987	0	50	BHAA	
COc1cccc(-c2ccc(C(C)=O)cc2)c1	2525656	RINJTUZMQGRYAL-UHFFFAOYSA-N	226.275	3.565	0	50	BHAA	
Cc1n[nH]c(C)c1-c1ccc(C)c2ncccc12	67910065	JYIXNFXLJDWFDP-UHFFFAOYSA-N	237.306	3.550	0	50	BHAA	
CCCC(C)(C)Nc1cc(C)ccc1OC	257373280	UKSCRNOKACQZDP-UHFFFAOYSA-N	221.344	3.994	0	50	BHAA	
Cc1csc(N)c1-c1nc2ccccc2s1	117161	YXXFAQKMMOVVIA-UHFFFAOYSA-N	246.360	3.915	0	50	BHAA	in-vitro
Fc1ccc2ncn(C3CCCCC3)c2c1	85476357	VNVCGBCUQSDFOA-UHFFFAOYSA-N	218.275	3.681	0	50	BHAA	
COc1ccc2nc(Cl)sc2c1Cl	212850009	URUHIOGINWPPKD-UHFFFAOYSA-N	234.107	3.612	0	50	BHAA	
Cc1c(C)n(C2CCCC2)c2ncnc(Cl)c12	334163862	PTGIYAMDTZJWGW-UHFFFAOYSA-N	249.745	3.817	0	50	BHAA	
CCc1ccc(NCc2ccc(O)cc2)cc1	397691	JGLYBODMQGLVJQ-UHFFFAOYSA-N	227.307	3.567	0	50	BHAA	
Cc1cc(C)c(-[n+]2c(C)cc(C)cc2C)c(C)c1	5792797	ISWJGQQLKBLZDO-UHFFFAOYSA-N	240.370	3.814	0	50	BHAA	
O=C(O)c1cc2ccc(C(F)(F)F)cc2s1	8730035	HYHNPVVUDRTIJR-UHFFFAOYSA-N	246.209	3.618	0	50	BHAA	in-vitro
Brc1cccc(OC2CCCC2)c1	19806508	SQWHABAKTKOIIR-UHFFFAOYSA-N	241.128	3.771	0	50	BHAA	
Clc1cc(Br)cc2ccncc12	307658157	BTLUGEXANPINDI-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Cc1c(Cl)nc2ccccc2c1Cl	332108	NVZMNNRRENJIRV-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	
Cc1cccc(NC2=NCC(C)(C)S2)c1C	340015	GIGLJJQYBLDHLU-UHFFFAOYSA-N	234.368	3.597	0	50	BHAA	
CCC[C@](C)(CO)COc1ccc(Cl)cc1	405341	GRNVEQVKGCKXQT-CYBMUJFWSA-N	242.746	3.518	0	50	BHAA	
CCc1cccc(NC(=O)c2cccc(F)c2)c1	441674	MUELDTTXVJAHCY-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
CCc1ccc([C@@H]2Cc3ccccc3N2)cc1	3715052	PQZHKWVTWPSJAT-INIZCTEOSA-N	223.319	3.958	0	50	BHAA	in-vitro
CCSc1ccc([C@H](O)c2ccccc2)cc1	4255828	MCYRBDHJDGBUQW-OAHLLOKOSA-N	244.359	3.880	0	50	BHAA	
Sc1c(Cl)ccc(Cl)c1S	4976290	AJCUDWCLDWDLNY-UHFFFAOYSA-N	211.138	3.571	0	50	BHAA	
CCCCC[C@@H](C)NC(=O)NC1CCCCC1	5464416	DOHSYLIAVBYZPU-GFCCVEGCSA-N	240.391	3.587	0	50	BHAA	
Fc1ccc(Cl)c(F)c1OC1CCCC1	261494088	POVDYZDSIAORIZ-UHFFFAOYSA-N	232.657	3.940	0	50	BHAA	
Cc1ccccc1/C=C1\OC(=O)c2ccccc21	42235	TUFDVWFQGACALX-GDNBJRDFSA-N	236.270	3.664	0	50	BHAA	
Cc1cc(C)cc(NC(=O)Nc2ccccc2)c1	443879	NUMLMHFHMHBFTE-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
COc1cc(Cl)ccc1-c1ccc(O)cc1	65340082	KQLYNMZESILFFQ-UHFFFAOYSA-N	234.682	3.721	0	50	BHAA	
FC(F)(F)Oc1ccc(Cl)cc1Cl	2390289	JYGSLPHFBUKVNC-UHFFFAOYSA-N	231.000	3.892	0	50	BHAA	in-vitro
CCCCCc1cnc(-c2ccccc2O)nc1	2472446	MZVPHJUBNWJBBZ-UHFFFAOYSA-N	242.322	3.582	0	50	BHAA	
C[C@H](N)c1ccc(Oc2ccc(F)cc2)cc1	19873661	DRVAKKWXGCYDJV-JTQLQIEISA-N	231.270	3.638	0	50	BHAA	
Cc1[nH]c2ccccc2c1NC(=O)CC(C)(C)C	1857527432	JPLXMEDTLSXGFR-UHFFFAOYSA-N	244.338	3.851	0	50	BHAA	
Nc1ccc2oc(-c3ccccc3)cc2c1	2538818	BDGHGQICSWOMQQ-UHFFFAOYSA-N	209.248	3.682	0	50	BHAA	
COc1ccc(NCC2CCCCC2)cc1OC	4007893	CEIIROOQJWHMMW-UHFFFAOYSA-N	249.354	3.696	0	50	BHAA	
CCOC1=N[C@@]23CC=CC[C@]12CCCCCC3	44607949	SWTLCXVJRROOMT-CABCVRRESA-N	233.355	3.864	0	50	BHAA	
Oc1cc(Cl)cc(-c2cccc(F)c2F)c1	65343212	UHIYLWJCTQOCBG-UHFFFAOYSA-N	240.636	3.991	0	50	BHAA	
c1ccc(CSCCc2ccccn2)cc1	71772973	HJFVLTIFNZIVAA-UHFFFAOYSA-N	229.348	3.558	0	50	BHAA	
Oc1ccc(C(F)(F)F)cc1OC1CCCC1	261493409	AMWMBPMUWVDZIU-UHFFFAOYSA-N	246.228	3.732	0	50	BHAA	
Cc1ccc(C)c(NC(=O)c2ccc(F)cc2)c1	142939	RXJUFFAPRIKORK-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Fc1cc(Cl)cc(Br)c1Cl	160403	CAYJMDVKWMVOLG-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	biogenic,in-vitro
CC(C)c1nc2cccc3cccc([nH]1)c32	481147	RYNTXOSYMIOQJA-UHFFFAOYSA-N	210.280	3.840	0	50	BHAA	
Cc1ccc(-c2c(C(=O)O)csc2C)cc1	2559454	PWCLBHGVPMVQSW-UHFFFAOYSA-N	232.304	3.730	0	50	BHAA	
CCc1ccc(C(=O)c2ccc(F)c(F)c2)cc1	4255053	IKAXVIMYHKRLJF-UHFFFAOYSA-N	246.256	3.758	0	50	BHAA	
Cc1cc(C)cc([C@@H](O)c2cccc(F)c2)c1	4255616	YIKVOASBEQYYNK-HNNXBMFYSA-N	230.282	3.524	0	50	BHAA	
Clc1ccc2c(N3CCCCC3)ccnc2c1	4335994	FNCNNOMKQUPPIK-UHFFFAOYSA-N	246.741	3.879	0	50	BHAA	
Cc1ccc(F)c(NC(=O)c2ccc(F)cc2)c1	5049171	NUTKLVHCQMKLSU-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
O=Cc1cc2cccc(C(F)(F)F)c2s1	79016493	PDXOHPUGUMSVCS-UHFFFAOYSA-N	230.210	3.733	0	50	BHAA	
FC1(F)CCc2[nH]c3ccc(Cl)cc3c2C1	675076017	ILYMPKABSXTYAK-UHFFFAOYSA-N	241.668	3.945	0	50	BHAA	
Cc1cc2nc(-c3ccc(N)cc3)oc2cc1C	43834	XHSMXFRBVSDVRL-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
O=C(Nc1ccccc1)Nc1ccc(Cl)cc1	286713	ORBJETIFXFIXKK-UHFFFAOYSA-N	246.697	3.984	0	50	BHAA	
CSc1ccc(CN2CCCCCC2)cc1	292276	QEYWEKIGIDEREK-UHFFFAOYSA-N	235.396	3.785	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2C)cc1C	361976	GHPFEHMFBNHVLQ-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CCN(c1ccccc1)N(CC)c1ccccc1	400061	OHCIZKCZWUDEPU-UHFFFAOYSA-N	240.350	3.954	0	50	BHAA	
O=C(CCNc1ccc(F)cc1)c1cccs1	446243	UEBSDFHYZCBVFE-UHFFFAOYSA-N	249.310	3.572	0	50	BHAA	
Fc1ccc(-c2nc3ccccc3o2)cc1	5059792	KETHPFOJWJUQFI-UHFFFAOYSA-N	213.211	3.634	0	50	BHAA	
CCC(C)(C)NC(=O)Nc1ccc(Cl)cc1	6741822	JLOOGNJQBLGNQM-UHFFFAOYSA-N	240.734	3.650	0	50	BHAA	
CC(C)(C)c1ccc2oc(=S)[nH]c2c1	26439829	OIOGHWZPVMHTEA-UHFFFAOYSA-N	207.298	3.788	0	50	BHAA	
CC(C)(C)O[C@@]12C=C[C@@H](C1)c1ccccc12	44143777	SUFYBTUNBLGCOM-NHYWBVRUSA-N	214.308	3.754	0	50	BHAA	
C[Si](C)(C)C1([C@@]23CCCC[C@H]2O3)CC1	169829290	NBNDXYINJRUQRQ-ZYHUDNBSSA-N	210.393	3.570	0	50	BHAA	
O=C(OC[C@@H]1CCCC(F)(F)C1)C1CCCC1	225731839	JKXIDUGVIQNYFE-SNVBAGLBSA-N	246.297	3.545	0	50	BHAA	
O=Cc1cccc(F)c1-c1cc(F)ccc1F	675070416	XUDSLWPTXNGXLD-UHFFFAOYSA-N	236.192	3.583	0	50	BHAA	
Cc1cccc(-c2noc(-c3ccccc3)n2)c1	2887001	LVOLWXPQHWLZBL-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
Cc1ccc2nc(C3CCCC3)[nH]c2c1	41043048	GEEKXNUYOPZRMK-UHFFFAOYSA-N	200.285	3.529	0	50	BHAA	
CC(C)(C)OC(=O)Nc1cc2ccccc2[nH]1	45949751	KSBPWHKOKZZKKY-UHFFFAOYSA-N	232.283	3.515	0	50	BHAA	
CS[C@H](N=O)c1ccccc1Br	71782499	PVSNUNNHSRHUPG-QMMMGPOBSA-N	246.129	3.577	0	50	BHAA	
c1ccc2c(c1)[C@H]1C[C@H]2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	253588848	VWMIKOJUDBEKIP-SYCBCXHKSA-N	210.320	3.933	0	50	BHAA	
Fc1c(Cl)cccc1-c1cccnc1	669379943	IRBJNIJBAIONEE-UHFFFAOYSA-N	207.635	3.541	0	50	BHAA	
Cc1cc(Br)ccc1-n1cccc1	1519688	BCQFVLPFCPDFFG-UHFFFAOYSA-N	236.112	3.548	0	50	BHAA	
CCCCOC(=O)[C@H](CC)CCCC	2522823	USPADFUBVAGYOJ-LLVKDONJSA-N	200.322	3.546	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc2cc[nH]c2c1	2527025	DVDFTRSGEMTSAL-UHFFFAOYSA-N	232.283	3.515	0	50	BHAA	
O=C(CCNc1cccc(F)c1)c1ccccc1	2876011	KSPVHMQMMFVLDD-UHFFFAOYSA-N	243.281	3.511	0	50	BHAA	
CCOC(=O)c1cc2cc(Cl)ccc2s1	6350444	KWUWHICWCSVHOZ-UHFFFAOYSA-N	240.711	3.731	0	50	BHAA	in-vitro
CC(=O)c1cccc(Nc2ccccc2)c1	21995840	ZWXDAANEJMSCEX-UHFFFAOYSA-N	211.264	3.633	0	50	BHAA	
Oc1cc(Cl)cc(-c2c(F)cccc2F)c1	65343219	JYQYIKOIUNHYEV-UHFFFAOYSA-N	240.636	3.991	0	50	BHAA	
Cc1ncc(C)c(-c2cccc(OC(C)C)c2)n1	67805327	OGNSDEQGQUTALP-UHFFFAOYSA-N	242.322	3.548	0	50	BHAA	
Clc1cc(Br)sc1Cl	82046651	OLGYPVCRHVQYRC-UHFFFAOYSA-N	231.929	3.817	0	50	BHAA	
O=C(Nc1ccccc1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21	169294851	QAUWUDWLPNVUBH-QLFBSQMISA-N	241.334	3.618	0	50	BHAA	
CCCCSCn1cnc2ccccc21	2160247	TZKYKOHCGCWBCW-UHFFFAOYSA-N	220.341	3.527	0	50	BHAA	
CCCN1CC=C(c2c[nH]c3ccccc23)CC1	13731903	FJAGJTZGNGENJB-UHFFFAOYSA-N	240.350	3.667	0	50	BHAA	
Clc1cc2ccncc2cc1Br	96321466	KZOSCZXUHGBLMP-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CO[C@@H](C)c1nc(-c2ccccc2F)cs1	175505536	NEVGAIUQUAJJGZ-QMMMGPOBSA-N	237.299	3.657	0	50	BHAA	
CCc1cccc(CC)c1NC(=O)NCC(C)C	397158	MPWOPAVUCNWBQY-UHFFFAOYSA-N	248.370	3.589	0	50	BHAA	
CCCCCC12CCC(C(=O)O)(CC1)CC2	2557062	IAQHPZFALQQESM-UHFFFAOYSA-N	224.344	3.992	0	50	BHAA	in-vitro
CC1(C)C[C@@]23CC=CC[C@@]2(CSC3)C1	45028045	DPXSUEVJWDWVCV-BETUJISGSA-N	208.370	3.876	0	50	BHAA	
CC(=O)c1ccc(Oc2ccccc2Cl)nc1	212871215	WHYFUZHGWJZZSC-UHFFFAOYSA-N	247.681	3.730	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1	29221	LFWFLJUXQPSBME-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
c1ccc(COc2ccc3[nH]ccc3c2)cc1	129178	JCQLPDZCNSVBMS-UHFFFAOYSA-N	223.275	3.747	0	50	BHAA	in-vitro
CCc1nc2ccccc2n1[C@@H](C)CC	572659	JVVZBIRKIVFVDD-JTQLQIEISA-N	202.301	3.570	0	50	BHAA	
S=c1nc(-c2ccc3ccccc3c2)cc[nH]1	2388342	LGLGIYOFLYYPPA-UHFFFAOYSA-N	238.315	3.959	0	50	BHAA	
CCCCc1nc2ccccc2n1CCC	15821279	OPBOVUXMSJWIJD-UHFFFAOYSA-N	216.328	3.789	0	50	BHAA	
Fc1cccc(Oc2ccc(Cl)cn2)c1	90345333	WXMGYKIENSHYEP-UHFFFAOYSA-N	223.634	3.666	0	50	BHAA	
CC1=C[C@@H]2[C@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C(=O)O	138908646	JYGAZEJXUVDYHI-XGFWRYKXSA-N	236.355	3.726	0	50	BHAA	biogenic
Cc1ccc(NC(=O)c2ccccc2C)c(C)c1	73252	DOKFVBUGSXXONL-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CC(C)CCNC(=O)c1ccc(C(C)C)cc1	375490	DCRIKMXONXGWFY-UHFFFAOYSA-N	233.355	3.586	0	50	BHAA	
Brc1ccc2c3c(cccc13)CC2	1043216	QALKJGMGKYKMKE-UHFFFAOYSA-N	233.108	3.701	0	50	BHAA	in-vitro
O=C1CC[C@H](c2ccccc2)c2ccccc21	1241236	YQUCNHUJKOVKNR-CYBMUJFWSA-N	222.287	3.795	0	50	BHAA	biogenic,in-vitro
CCOc1ccccc1CNc1cccc(F)c1	19920553	VBTIPTLIXQGNKG-UHFFFAOYSA-N	245.297	3.837	0	50	BHAA	
Sc1nc(Cl)cc2cc(Cl)ccc12	95099983	YJYLLQLBKLKWBM-UHFFFAOYSA-N	230.119	3.830	0	50	BHAA	
C[Si](C)(C)C1=CCc2ccccc2CC1	169827639	NJLDKWUWUFSTLP-UHFFFAOYSA-N	216.400	3.979	0	50	BHAA	
COc1cccc(Cl)c1-c1ccc(C=O)cc1	315337545	WEGBDQVWOBJYJU-UHFFFAOYSA-N	246.693	3.828	0	50	BHAA	
CC(C)C(=O)Nc1cccc(Cl)c1Cl	29784	KMSRKQVHMMBFNG-UHFFFAOYSA-N	232.110	3.588	0	50	BHAA	
CCN(CC)CCCOc1ccccc1C(C)C	2933285	HPUPCSICBWPVBG-UHFFFAOYSA-N	249.398	3.921	0	50	BHAA	
C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	4532240	OQYNUZDJQMOTFA-HNNXBMFYSA-N	222.291	3.624	0	50	BHAA	biogenic
O=C(O)[C@@H](Sc1ccccc1)c1ccccc1	4748581	UOCQATUFLPHRNG-ZDUSSCGKSA-N	244.315	3.605	0	50	BHAA	in-vitro
Clc1ccccc1Cc1nc2ccccc2[nH]1	11735011	XYDPQCXIGVLALP-UHFFFAOYSA-N	242.709	3.807	0	50	BHAA	
C[C@H](F)CCCn1ccc2ccccc21	96032891	KBLOSQQBEUFJES-NSHDSACASA-N	205.276	3.780	0	50	BHAA	in-vitro
CCCC[C@@H]1CCC[C@H]1Nc1cc(C)ncn1	170624869	TWPDQADNWLYPSX-CHWSQXEVSA-N	233.359	3.556	0	50	BHAA	
CCC[C@@]1(NC)C(C)(C)[C@H]2CC[C@@]1(C)C2	216002529	OUTQBPCFUIFUFX-FPMFFAJLSA-N	209.377	3.591	0	50	BHAA	
O=C1CCCC[C@@H]1C1=NCCCCCCC1	254806208	MSEJRTWMABOMBB-GFCCVEGCSA-N	221.344	3.541	0	50	BHAA	
CC(C)(C)c1ccccc1Oc1ccc(O)cn1	261493575	DXVPMUPFNBMGOA-UHFFFAOYSA-N	243.306	3.877	0	50	BHAA	
CC[C@H](C(=O)Nc1ccccc1)c1ccccc1	362296	BDKOFTGODYDQOQ-HNNXBMFYSA-N	239.318	3.819	0	50	BHAA	
O=Cc1cn(-c2ccc(F)cc2)c2ccccc12	373280	RVYKBUHPOPVEPZ-UHFFFAOYSA-N	239.249	3.582	0	50	BHAA	
Clc1ccc(Cl)c([C@@H]2CCCCN2)c1	2582641	YFDPMXCBDHALDH-NSHDSACASA-N	230.138	3.808	0	50	BHAA	in-vitro
CC(=O)c1ccc(Oc2cc(F)ccc2F)cc1	4290342	ABJHYLXLQNZALK-UHFFFAOYSA-N	248.228	3.960	0	50	BHAA	
Brc1cccc2ccsc12	8700425	NOICDPBEDNMHQK-UHFFFAOYSA-N	213.099	3.664	0	50	BHAA	in-vitro
Nc1cccc(COc2ccc(Cl)cc2)c1	19268470	KMLRTSYDMHTSJL-UHFFFAOYSA-N	233.698	3.501	0	50	BHAA	
Nc1cccc(-c2nc3ccc(Cl)cc3o2)c1	34924885	UYOQZGWIBYYUPP-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
Cc1cccc(NC(=O)C2C(C)(C)C2(C)C)c1C	50611	BQVDAXZPOCACJW-UHFFFAOYSA-N	245.366	3.924	0	50	BHAA	
CCOC(=O)N(c1ccccc1)c1ccccc1	169075	HKTSLDUAGCAISP-UHFFFAOYSA-N	241.290	3.981	0	50	BHAA	
CCCC(=O)Oc1ccc(Cl)cc1Cl	1684275	ZVLYZDINTHKGLR-UHFFFAOYSA-N	233.094	3.699	0	50	BHAA	
C[C@H](NCc1ccccc1)c1ccc(F)cc1	2575971	SKSDYYVUOGKGCR-LBPRGKRZSA-N	229.298	3.677	0	50	BHAA	
CN(Cc1ccccc1F)Cc1ccccc1F	40161827	NDDQINQUQCKBJV-UHFFFAOYSA-N	247.288	3.597	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)C1[C@H]2CCCC[C@H]12	467245274	ZLCICHYECNOTGG-RYUDHWBXSA-N	249.741	3.715	0	50	BHAA	
Cc1noc(C)c1-c1ccc2cccc(O)c2c1	1875354813	POMIGJMHMOIDCH-UHFFFAOYSA-N	239.274	3.817	0	50	BHAA	
Cc1ccc2nc(-c3cccc(Cl)c3)cn2c1	433064	AFAFENGOVTUNMP-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	
CCCC/C=C/C(F)(F)Br	2526366	LQSFBLRBYQAEKS-AATRIKPKSA-N	213.065	3.721	0	50	BHAA	in-vitro
CCCC(=O)OC(C)(C)[C@@H]1CC=C(C)CC1	14588965	LWKWNIYBQLKBMQ-GFCCVEGCSA-N	224.344	3.855	0	50	BHAA	endogenous,in-man
COc1ccc(CN2CCCCCCC2)cc1C	2811278	NTBLWXSXPRPBKO-UHFFFAOYSA-N	247.382	3.770	0	50	BHAA	
O=C(Nc1cccc(F)c1)Nc1ccccc1F	4539207	DJEHCKJEEPAXSQ-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CCCC[C@H](CC)COC(=O)CCC	5822094	LFEQNZNCKDNGRM-NSHDSACASA-N	200.322	3.546	0	50	BHAA	
Cc1ccc([C@H](C)NC(=O)C2CCCC2)cc1C	6741411	KSESQSSVBSPILU-ZDUSSCGKSA-N	245.366	3.671	0	50	BHAA	
CC[C@H](C(=O)O)C1CCC(C(C)(C)C)CC1	166326614	HVWTUWNQJCECNN-MCIGGMRASA-N	226.360	3.950	0	50	BHAA	
CC(C)COc1c(F)ccc(Cl)c1F	261494044	OMVUDMDIQHCUHC-UHFFFAOYSA-N	220.646	3.653	0	50	BHAA	
CCCc1occ(-c2ccccc2)c1C(=O)O	725246751	VQDPLBHRRTXNCX-UHFFFAOYSA-N	230.263	3.597	0	50	BHAA	
Cc1ccc2cc(-c3nncc(C)c3C)ccc2n1	2356167359	NFXILNQCGZXFDK-UHFFFAOYSA-N	249.317	3.617	0	50	BHAA	
S=c1[nH]c2ccccc2c2c1CCCC2	85101	RXJDRVLQPSRRCI-UHFFFAOYSA-N	215.321	3.776	0	50	BHAA	
CCC1=NC(CC)(CC)c2ccccc2O1	197106	QYZUWTXHEJCCSL-UHFFFAOYSA-N	217.312	3.903	0	50	BHAA	
c1ccc2c(CN3CCCCCC3)c[nH]c2c1	237940	PDUPXVBNXBQTQH-UHFFFAOYSA-N	228.339	3.544	0	50	BHAA	
Cc1cccc(Cn2cc(C=O)c3ccccc32)c1	264167	GRXZPUPSNRQSLN-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
Cc1ccccc1C(=O)Nc1ccc(F)cc1F	299561	ONSTZSBMSARXFC-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CN(C(=S)Nc1ccccc1)C1CCCCC1	396447	CAVLDGJVMTVLQJ-UHFFFAOYSA-N	248.395	3.648	0	50	BHAA	
Clc1cc(Br)c2ncccc2c1	38537383	NYZQVTHNVNLOQQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
COc1ccc(Br)cc1C(C)(C)C	155506	MJRUSXKALHWNDH-UHFFFAOYSA-N	243.144	3.755	0	50	BHAA	
Cc1ccc(NC(=O)OC2CCCCC2)cc1	396203	SLWJRFROELZPLD-UHFFFAOYSA-N	233.311	3.876	0	50	BHAA	
CCc1ccc2c(Cl)c(C(=O)O)sc2c1	484472	XLTCOYZLFMTWJI-UHFFFAOYSA-N	240.711	3.815	0	50	BHAA	
CCCCc1ccc(NC(=O)c2ccco2)cc1	2027724	LZZCYUYVWHIFLE-UHFFFAOYSA-N	243.306	3.875	0	50	BHAA	
CCC(=O)OCC[C@@H](C)CCC=C(C)C	2040978	POPNTVRHTZDEBW-LBPRGKRZSA-N	212.333	3.712	0	50	BHAA	endogenous,in-man
CCCCc1ccc(-n2cccc2C=O)cc1	3676311	XEXGMRGYTBBAKE-UHFFFAOYSA-N	227.307	3.632	0	50	BHAA	in-vitro
O=C(Nc1ccccc1)c1ccc(Cl)cc1F	7755567	MIHYHPJOKIVWIO-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
COC(=O)c1ccc(-c2ccc(F)cc2)c(C)c1	97757136	JGMCNTJFRYCVAE-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Clc1ccc2c(Cl)nc(Cl)nc2c1	1689167	MFVNIGBXSLGABC-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	in-vitro
Cc1cc(C)cc(OCCCCN2CCCC2)c1	2896592	YCYPWNGVPHGUEJ-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Cc1ccsc1CN(C)[C@H](C)c1ccccn1	65500871	VJQVBBCNYICFSA-GFCCVEGCSA-N	246.379	3.645	0	50	BHAA	
c1ccc2c(c1)[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C1	101003343	IFLJPDWUZBRIKL-DUBDDPSESA-N	208.304	3.998	0	50	BHAA	
Cc1ccccc1-n1cc(C=O)c2ccccc21	212129731	BTWKUCWQWZMXLE-UHFFFAOYSA-N	235.286	3.751	0	50	BHAA	
Oc1cccc(SCCC(F)(F)Cl)c1	402882190	IPWCXAQAJMRASG-UHFFFAOYSA-N	238.686	3.706	0	50	BHAA	
CC(C)S[C@@H]1CC(=O)CC[C@H]1C(C)C	725360568	IPTOHXORLWWBPE-NWDGAFQWSA-N	214.374	3.522	0	50	BHAA	
Cc1cc(NC(=O)c2ccccc2)sc1C	50166	OLPITMZYTXIQJJ-UHFFFAOYSA-N	231.320	3.617	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2Cl)cc1	126124	NKUJXBPYWPGLBA-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
O=C1Nc2c(Cl)cc(Cl)c3cccc1c23	128291	GODZYKLNGNOANY-UHFFFAOYSA-N	238.073	3.712	0	50	BHAA	
CC(C)=CC(=O)Nc1nc2ccc(C)cc2s1	145662	WQYJYOGIFKNIAK-UHFFFAOYSA-N	246.335	3.509	0	50	BHAA	
Cc1ccc(NC(=O)CC(C)C)cc1Cl	361710	UGIPOPHJKLRDIL-UHFFFAOYSA-N	225.719	3.633	0	50	BHAA	
C[C@H]1CCCC[C@@H]1OC(=O)NC1CCCCC1	396382	DDSKHAHMBAVXFS-AAEUAGOBSA-N	239.359	3.624	0	50	BHAA	
Cc1ccc(OCCCCNC(C)(C)C)c(C)c1	2901595	WSNAGUUXFCQFGJ-UHFFFAOYSA-N	249.398	3.851	0	50	BHAA	
CCc1cccc(OCCCN2CCCCC2)c1	3001327	LUVHOVUBYYUEBK-UHFFFAOYSA-N	247.382	3.504	0	50	BHAA	
CCOC1=N[C@]23CC=CC[C@]12CCCCCC3	71785349	SWTLCXVJRROOMT-HUUCEWRRSA-N	233.355	3.864	0	50	BHAA	
Cc1ccccc1C(=O)c1ccc(Cl)cc1	397641	OUQFWKJOKONNMD-UHFFFAOYSA-N	230.694	3.879	0	50	BHAA	
Cc1ccc(NC(=O)Nc2ccccc2C)cc1	1891482	GQIHFIQMGCJUNB-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
CCN(CC)CCCCOc1cc(C)cc(C)c1	2465895	ROVIXWUTSJDRMQ-UHFFFAOYSA-N	249.398	3.804	0	50	BHAA	
Cc1cccc(C)c1OCCCCNC(C)(C)C	2903480	KFJBQVORGQMHMD-UHFFFAOYSA-N	249.398	3.851	0	50	BHAA	
CC(C)c1ccc(NC(=O)C(C)(C)C)cc1	3093861	UTPMIUDAGOIYCR-UHFFFAOYSA-N	219.328	3.795	0	50	BHAA	
Cc1nc2cc(-c3cccnc3)ccc2s1	147589804	ATKPTSYUMOKYCQ-UHFFFAOYSA-N	226.304	3.667	0	50	BHAA	
CC(=O)c1ccccc1-c1ccccc1C(C)=O	3070018	AYOAGYXOEAQXIY-UHFFFAOYSA-N	238.286	3.759	0	50	BHAA	
Cc1c(C=O)c2ccccc2n1Cc1ccccc1	3878513	LFRXDIWPLQSKBS-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
COc1ccc([C@@H](C)NCc2ccccc2)cc1	4240727	UUERSPCNHLAMES-CYBMUJFWSA-N	241.334	3.546	0	50	BHAA	
c1ccc([C@H]2COC[C@H]2c2ccccc2)cc1	12349450	BQRJKBFGRQFFMF-IYBDPMFKSA-N	224.303	3.584	0	50	BHAA	biogenic,in-vitro
Fc1ccc(F)c(C(F)(F)F)c1Cl	66330507	XXZWVTAXADIDKW-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	in-vitro
Cc1ccncc1-c1cccc2[nH]ccc12	67688614	TXCZJIRMLQPMKS-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	
CC[C@H](C)NCc1ccc(Cl)c(C)c1	125467051	OAIALCASOUFOIO-JTQLQIEISA-N	211.736	3.537	0	50	BHAA	
C(=C/c1ccco1)\CNc1cccc(C2CC2)n1	2325705767	HAOUCVOYSCFKGS-DUXPYHPUSA-N	240.306	3.677	0	50	BHAA	
Cc1ccc(Br)c(Br)c1	1724751	LDCPXNOCWDGYIU-UHFFFAOYSA-N	249.933	3.520	0	50	BHAA	biogenic,in-vitro
CCCNC(=O)Nc1ccc(Cl)cc1Cl	2171141	GYYKGPBHRPUEID-UHFFFAOYSA-N	247.125	3.525	0	50	BHAA	
Cc1ccc([C@@H](C)NCc2ccccc2)cc1	4240785	LCMHOUMRBZARCR-CQSZACIVSA-N	225.335	3.846	0	50	BHAA	
CC(C)CCC[C@H](C)NC(=O)c1ccccc1	5284517	RBXYZSRXTQLYRB-ZDUSSCGKSA-N	233.355	3.631	0	50	BHAA	
O=C(Nc1ccccc1)[C@@H]1[C@H]2C=CCCCC[C@@H]12	13130237	QAUWUDWLPNVUBH-RRFJBIMHSA-N	241.334	3.618	0	50	BHAA	
CCOC(CCSc1ccccc1)OCC	15780632	DBMRPJZPRBHOLN-UHFFFAOYSA-N	240.368	3.568	0	50	BHAA	
c1ccc(-c2ccc3ccccc3c2)nc1	33606679	DBENTMPUKROOOE-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	
Clc1cc2ccoc2cc1Br	216631508	NHHOOAWAGMEKLC-UHFFFAOYSA-N	231.476	3.849	0	50	BHAA	
Cc1cccc(NC(=O)c2ccccc2)c1C	363352	KOKRWDZFZBINOW-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
CCCCN(CC)C(=O)c1ccc(C)c(C)c1	2728879	BUOUJLGEZWKBFS-UHFFFAOYSA-N	233.355	3.566	0	50	BHAA	
Fc1cncc(-c2ccccc2C(F)(F)F)c1	95495970	KZMQUSLUQIUOOA-UHFFFAOYSA-N	241.187	3.907	0	50	BHAA	
Cc1ccccc1C1=C(c2ccccc2)CCNC1	96027629	NJUPRNLBASDAJX-UHFFFAOYSA-N	249.357	3.899	0	50	BHAA	
Cc1cc(-c2ccc(C(=O)C3CC3)cc2)ccn1	96137621	CQZZBHKKFLHMKO-UHFFFAOYSA-N	237.302	3.650	0	50	BHAA	
CC(C)[C@@H]1CC(C)(C)c2ccc(O)cc21	1469211	RJBAMTHSSMILQI-LBPRGKRZSA-N	204.313	3.813	0	50	BHAA	
Cc1cc(Oc2ccccc2)ccc1C=O	44830814	WCSJFPSCOWYPRS-UHFFFAOYSA-N	212.248	3.600	0	50	BHAA	in-vitro
Cc1cc(C)cc(C(=O)c2ccccc2)c1	57380070	OLXZWWMXQRMOGP-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	
CC(C)(C)CC(=O)N[C@@H]1C[C@H]1C1CCCCC1	155877663	ICBWVEUIDLFVRU-QWHCGFSZSA-N	237.387	3.508	0	50	BHAA	
Cc1nc(-c2cccc(Cl)c2)cs1	6825124	VYQOJRKCALBHIX-UHFFFAOYSA-N	209.701	3.772	0	50	BHAA	in-vitro
Cc1cc(C)cc(NC(=O)c2ccccc2C)c1	101425	FSFQNORFDSVREA-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
O=C(Nc1ccc(F)cc1)c1cccc(Cl)c1	255630	KUABZWBUUUACJS-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
O=C(c1ccccc1)c1ccc(Cl)cc1	2504270	UGVRJVHOJNYEHR-UHFFFAOYSA-N	216.667	3.571	0	50	BHAA	biogenic
O[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1	4242472	GJWABINSTLSRPY-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	
N=C(Nc1ccc(Cl)cc1)c1ccccc1	5257066	JKSMLLRPARGTLT-UHFFFAOYSA-N	230.698	3.777	0	50	BHAA	
CC(C)Oc1cc(Br)ccc1Cl	69758754	JJGQFOSYETWZLC-UHFFFAOYSA-N	249.535	3.890	0	50	BHAA	in-vitro
CC1=C[C@H](C)[C@H]2CO[C@@H](c3cccnc3)[C@H]1[C@H]2C	248329936	DYAZCFMRGIURJU-MXRKXNECSA-N	243.350	3.617	0	50	BHAA	
Cc1nc2cc(-c3cscn3)ccc2s1	382744849	YQFQRAQIQHLUAJ-UHFFFAOYSA-N	232.333	3.728	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccccc2C)c1	225728	IQBLPLOTLDOUGK-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
c1ccc(-c2ccn(-c3ccccc3)n2)cc1	284242	LQUBXCVRJZGBLM-UHFFFAOYSA-N	220.275	3.539	0	50	BHAA	
Nc1ccccc1-c1cccc(C(F)(F)F)c1	2574094	FTJLIEDZSSPJHW-UHFFFAOYSA-N	237.224	3.955	0	50	BHAA	
Oc1ccc(-c2cccc3cccnc23)cc1	32520230	TYLBOBGRRKNPPA-UHFFFAOYSA-N	221.259	3.607	0	50	BHAA	
CCCCSc1ccc(Br)cn1	42351438	ZDHVWQYNEUEFLG-UHFFFAOYSA-N	246.173	3.736	0	50	BHAA	
CCC(=O)c1cc(Cl)cc(Cl)c1	49812541	KFXWPKDEAPLDKF-UHFFFAOYSA-N	203.068	3.586	0	50	BHAA	in-vitro
O=C(Nc1ccccc1)Oc1cccc(Cl)c1	283666	MWWXLTUEDSEXFE-UHFFFAOYSA-N	247.681	3.951	0	50	BHAA	
Cc1c(C)c(Cl)c(C)c(Cl)c1O	393623	YYJLTJNUMBZDQC-UHFFFAOYSA-N	205.084	3.624	0	50	BHAA	in-vitro
CC[C@H](C)c1nc2ccccc2n1CC	40417113	GQROFMNWYXCDKW-JTQLQIEISA-N	202.301	3.570	0	50	BHAA	
CSc1ccc(Cl)c(Br)c1	97756689	DTBNARAGZDLPCP-UHFFFAOYSA-N	237.549	3.824	0	50	BHAA	
Clc1ccc2ncnc(-c3ccccc3)c2c1	164399	PDVBMNDBLYNSIS-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	
O=C(O)CCC(c1ccccc1)c1ccccc1	330281	FLSBZXWDASEHJU-UHFFFAOYSA-N	240.302	3.683	0	50	BHAA	
CC[n+]1c(C)sc2c3ccccc3sc21	391766	WVJZELJCDYRMAQ-UHFFFAOYSA-N	234.369	3.732	0	50	BHAA	
C[C@H](c1ccccc1)[C@H](OC=O)c1ccccc1	409745	VYNGOGJIFUEHLX-CJNGLKHVSA-N	240.302	3.704	0	50	BHAA	
Fc1cc(Br)c(Cl)cc1S	36533082	VFNIBJCQLXCPRR-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
CC(C)Sc1ccc(Br)cc1	39241309	GXLZTSMJUOOUDW-UHFFFAOYSA-N	231.158	3.950	0	50	BHAA	in-vitro
Clc1ccc2ncccc2c1Br	139519349	JHXYMNBULATYDU-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CCN(CC)CCCCCCOc1ccccc1	2493383	DHWRSIZXAHTDLF-UHFFFAOYSA-N	249.398	3.968	0	50	BHAA	
CC(C)CC[C@H]1C[C@@H]1C(=O)Nc1ccccc1	3159824	OZRKJNXJNJNGBS-JSGCOSHPSA-N	231.339	3.697	0	50	BHAA	
CCCCC[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3	4955788	CAGSXORDNAXYTM-VGVBULKLSA-N	222.372	3.754	0	50	BHAA	
NCCCC(c1ccccc1)c1ccccc1	33506328	MAAQGZFMFXQVOG-UHFFFAOYSA-N	225.335	3.557	0	50	BHAA	in-vivo
CCCCC(=O)c1ccc(OC(F)(F)F)cc1	74937925	ZHTPWBYULNUCMH-UHFFFAOYSA-N	246.228	3.958	0	50	BHAA	
c1ccc(CCCCc2cccnc2)cc1	82050619	KSHNBYPPQSZPQQ-UHFFFAOYSA-N	211.308	3.647	0	50	BHAA	
Fc1cc(Br)c(F)c(C(F)F)c1	263625088	WQGPYOAMQQQFQZ-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
COCc1cc(-c2ccc(F)cc2)cs1	1875315771	GXEMROKKRZMOSH-UHFFFAOYSA-N	222.284	3.701	0	50	BHAA	
CCCN(CCC)C(=O)Nc1ccccc1CC	397209	OVYCZCIEXXMUQD-UHFFFAOYSA-N	248.370	3.903	0	50	BHAA	
Fc1ccc(Cc2ccc(F)cc2)cc1	409250	DXQVFHQUHOFROC-UHFFFAOYSA-N	204.219	3.556	0	50	BHAA	in-vitro
CCCCCCOc1ccccc1-c1nnco1	5418251	LNJJWHZDRMRJDO-UHFFFAOYSA-N	246.310	3.696	0	50	BHAA	
Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)o1	16602422	XLZPPNUXWAQNOE-UHFFFAOYSA-N	237.343	3.533	0	50	BHAA	
CCCCOc1ncc(Cl)cc1Cl	165937634	WVGOJXKMUVLKHQ-UHFFFAOYSA-N	220.099	3.567	0	50	BHAA	
C[Si](C)(C)Nc1cccc(OC(F)(F)F)c1	169809306	XUAXSJXKYFOXPW-UHFFFAOYSA-N	249.308	3.832	0	50	BHAA	
C[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CC=CC1	225634409	ZKSFCAYXYTVXDI-XDQVBPFNSA-N	219.372	3.509	0	50	BHAA	
COc1cccc(Cl)c1-c1ccc(N)cc1	316633121	NJHZCJXXKQWKAN-UHFFFAOYSA-N	233.698	3.598	0	50	BHAA	
C=CC(=O)N1CCCCC[C@H]1c1cccc(C)c1	848979365	UVMYZPSYZASUJY-HNNXBMFYSA-N	243.350	3.625	0	50	BHAA	
CC(=O)c1ccc(-c2cccs2)s1	108181	GKGAOTYPISAEEK-UHFFFAOYSA-N	208.307	3.679	0	50	BHAA	biogenic
CCCc1sc(N)nc1-c1ccc(C)c(C)c1	305349	VOOHNSHTPCVJRO-UHFFFAOYSA-N	246.379	3.962	0	50	BHAA	
CC(=O)c1ccc(OCc2cccc(C)c2)cc1	4342703	YGHXJHBIGWIVNU-UHFFFAOYSA-N	240.302	3.777	0	50	BHAA	
Oc1ccc(-c2nc3ccccc3[nH]2)cc1Cl	34575183	HPFOEQYAZPMRDG-UHFFFAOYSA-N	244.681	3.589	0	50	BHAA	
Cc1cc(C)c[n+](C23CC4CC(CC(C4)C2)C3)c1	65336772	QFTWSTZIZQJKJH-UHFFFAOYSA-N	242.386	3.516	0	50	BHAA	
Cc1cc(Oc2ccccc2)nc(CC2CC2)n1	2325818420	OFTOOISBNWOFDK-UHFFFAOYSA-N	240.306	3.530	0	50	BHAA	
CCC1(C2(O)CCCCC2)SCCCS1	393247	BHACLYGWKXKPJL-UHFFFAOYSA-N	246.441	3.658	0	50	BHAA	
Clc1nc2c(Cl)cccc2s1	406536	JJWANONAOYNRME-UHFFFAOYSA-N	204.081	3.603	0	50	BHAA	in-vitro
Cc1ccc(C)c(-c2cn3cccc(C)c3n2)c1	4235038	ZUJNFXYMPVGGAU-UHFFFAOYSA-N	236.318	3.927	0	50	BHAA	
Fc1cc(Cl)c(Cl)c(F)c1Cl	59060441	FSLSECKXKGUZHL-UHFFFAOYSA-N	217.429	3.925	0	50	BHAA	
Clc1ccc(CCCc2ccncc2)cc1	71773654	QBLUCDFGYXODSN-UHFFFAOYSA-N	231.726	3.910	0	50	BHAA	
Oc1cc(Cl)cc(OCc2ccccc2)c1	261494138	QSEHCSLFESGHMU-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
Cc1cccc(NC(=O)Oc2ccccc2)c1	396396	IZTYAOFWKLCNPQ-UHFFFAOYSA-N	227.263	3.606	0	50	BHAA	
CC(C)(C)c1cc(Cc2ccccc2)no1	437069	HCXQONBKPTUQPN-UHFFFAOYSA-N	215.296	3.563	0	50	BHAA	
O=C(O)c1cc(N=Nc2ccccc2)ccc1O	4787427	JHDYSXXPQIFFJZ-UHFFFAOYSA-N	242.234	3.506	0	50	BHAA	
Cc1ccc(C)c([C@@H](C)NC(=O)C(C)(C)C)c1	42671478	XNVPBYWMWNQWDN-GFCCVEGCSA-N	233.355	3.527	0	50	BHAA	
CC(C)=CCN[C@@H]1CCCC[C@H]1C(F)(F)F	124220103	PVOIFZGYKRDEJD-GHMZBOCLSA-N	235.293	3.663	0	50	BHAA	
CC1=C[C@H](C)[C@H]2CO[C@@H](c3cccnc3)[C@H]1[C@@H]2C	248329941	DYAZCFMRGIURJU-RQWRSEQRSA-N	243.350	3.617	0	50	BHAA	
FC(F)(F)c1cccc2c(Cl)ccnc12	56849	LINGICLAECZKAW-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	
CCNC(=O)N(c1ccccc1)c1ccccc1	169149	DIPWJRHVODJXKP-UHFFFAOYSA-N	240.306	3.554	0	50	BHAA	
CCc1c(C)nc2c(OC)cccc2c1Cl	291376	ZNIRMMHYZZNFNX-UHFFFAOYSA-N	235.714	3.768	0	50	BHAA	
CC(C)(c1ccccc1)[C@H]1CCCC[C@@H]1O	2577479	CTYOSJAXQPHWCK-KBPBESRZSA-N	218.340	3.515	0	50	BHAA	
CC(C)c1cccc(OCCCNC(C)(C)C)c1	2932214	AOGILEZGQCVYCI-UHFFFAOYSA-N	249.398	3.967	0	50	BHAA	
CCCCC(O)(CCCC)c1ccccc1O	4006662	BRRBYWJUQMCREF-UHFFFAOYSA-N	236.355	3.960	0	50	BHAA	
CCCC(CCC)C(=O)Nc1ccccc1OC	4842079	FMOLVLIRFDJWCF-UHFFFAOYSA-N	249.354	3.850	0	50	BHAA	
O=C(O)/C1=C/CCCCCCCCCC1	43198976	AYRFSEXTGFEZKA-ZRDIBKRKSA-N	210.317	3.912	0	50	BHAA	
Cc1ccc(-c2cc(Cl)cc(Cl)c2)nn1	67821241	QOTVNMMZSLINIX-UHFFFAOYSA-N	239.105	3.759	0	50	BHAA	
CCOc1c(Cl)ccc(Cl)c1F	261494531	ZUZREMOMJWEZHT-UHFFFAOYSA-N	209.047	3.531	0	50	BHAA	
Fc1cccc2cc(-c3nccs3)oc12	1875340121	MJBWVPDNJKGSMG-UHFFFAOYSA-N	219.240	3.695	0	50	BHAA	
NCCCCCCCc1c[nH]c2ccccc12	2010881	QMBZPQLSFZKDBT-UHFFFAOYSA-N	230.355	3.620	0	50	BHAA	biogenic
CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(O)c1ccccc1	5104905	CFNBWILWJDXHSR-IMJJTQAJSA-N	230.351	3.720	0	50	BHAA	
Clc1cnc(-c2cc3ccccc3o2)cn1	67975179	IKHIZILMFHDXTG-UHFFFAOYSA-N	230.654	3.543	0	50	BHAA	
CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@H]1C2	100549255	DWGYRUDDSQAWEA-UUFMSHNVSA-N	244.334	3.682	0	50	BHAA	
CCCCN(Cc1cnc[nH]1)C1CCCCCC1	952862662	PIXUPCLNLNUOGT-UHFFFAOYSA-N	249.402	3.735	0	50	BHAA	
CCCCc1ccc([C@H]2C[C@@H]2C(=O)OCC)cc1	2534331	DAKCGYYTKMEBBB-CABCVRRESA-N	246.350	3.696	0	50	BHAA	
Cc1ccccc1OCCCCNC(C)(C)C	2899307	CRMFTBKHJYWHGL-UHFFFAOYSA-N	235.371	3.542	0	50	BHAA	
CCOP(Nc1cccc(F)c1)OCC	3163842	DUZSOFBJYLWQAW-UHFFFAOYSA-N	231.207	3.538	0	50	BHAA	
CCc1ccc(NC(=O)c2cc(C)oc2C)cc1	15080564	LAMVYUWJYCZGFA-UHFFFAOYSA-N	243.306	3.711	0	50	BHAA	
c1ccc2c(c1)C[C@H](c1cc3ccccc3[nH]1)N2	34542852	JHOONDMVUXMXNH-MRXNPFEDSA-N	234.302	3.877	0	50	BHAA	
CCOc1cccc(-c2sc(NC)nc2C)c1	58002525	ROJBBNWREBKFKD-UHFFFAOYSA-N	248.351	3.559	0	50	BHAA	
O=C(Nc1ccccc1)c1cccc(Cl)c1	126197	QDIUKUHOHYCIRM-UHFFFAOYSA-N	231.682	3.592	0	50	BHAA	
Cc1cc(Cl)ccc1NC(=O)OC(C)C	395205	NIYDRALZZUCCII-UHFFFAOYSA-N	227.691	3.605	0	50	BHAA	
CSc1ccc([C@H](O)c2ccc(C)cc2)cc1	4268974	NJXXIRJTUBIDBF-OAHLLOKOSA-N	244.359	3.799	0	50	BHAA	
Cc1ccc(C(=O)Oc2ccc(C)cc2C)cc1	4542407	HOKIPPDZPLNXTE-UHFFFAOYSA-N	240.302	3.831	0	50	BHAA	
CCN[C@H](Cc1ccccc1)c1ccccc1	5853383	IGFZMQXEKIZPDR-MRXNPFEDSA-N	225.335	3.580	0	50	BHAA	in-vitro
CC1=CC[C@@H](C(C)(C)OC(=O)C(C)C)CC1	14588966	SMQUXKIIXFOJKI-GFCCVEGCSA-N	224.344	3.711	0	50	BHAA	endogenous,in-man
CCCCCCSCCCN1CCSC1	33754567	FKCWRXHPVZGXRB-UHFFFAOYSA-N	247.473	3.696	0	50	BHAA	
c1ccc2nc(NC3CCCC3)ccc2c1	36854597	DNKYRFGJIDZBSE-UHFFFAOYSA-N	212.296	3.589	0	50	BHAA	
Fc1ccc2c(Cl)c(Cl)cnc2c1	41702309	HHLWDPXPWAROFT-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	in-vitro
c1ccc(-c2nc[nH]c2-c2ccccc2)cc1	65175	CPHGOBGXZQKCKI-UHFFFAOYSA-N	220.275	3.744	0	50	BHAA	in-man
c1ccc(-c2nnsc2-c2ccccc2)cc1	108792	QVGVWLHVMVQIQI-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
COc1cc(NC2CCCCCC2)cc(OC)c1	4007928	VOAVARQONYZFDG-UHFFFAOYSA-N	249.354	3.839	0	50	BHAA	
S=c1[nH]c2ccccc2n1Cc1ccccc1	5687886	NPCKYDJGUXAGPP-UHFFFAOYSA-N	240.331	3.747	0	50	BHAA	
Cc1ccc(OCc2cnc(Cl)s2)cc1	86777239	CWFYALSNNSIKRM-UHFFFAOYSA-N	239.727	3.684	0	50	BHAA	
Fc1ccc(F)c(-c2ccccc2F)c1	205834588	UPEDBZQDDKCRQH-UHFFFAOYSA-N	208.182	3.771	0	50	BHAA	
CCOC(=O)C[C@H]1CC[C@H](c2ccccc2)CC1	257352825	NQKKTEIOHKETAT-CTYIDZIISA-N	246.350	3.914	0	50	BHAA	
Cc1cc(=O)c2sccc2n1[C@H]1CC[C@@H](C)C1	334956413	LTENADZUBULOHF-KOLCDFICSA-N	247.363	3.733	0	50	BHAA	
CC(C)(C)c1ccc(-c2cc(N)cc(O)c2)cc1	854174439	AJGXDBWTTZMNPP-UHFFFAOYSA-N	241.334	3.939	0	50	BHAA	
CCO[C@H](C)c1ccc(-c2ccnc(O)c2)cc1	1506400277	CPEJMWZRYQAXLP-LLVKDONJSA-N	243.306	3.552	0	50	BHAA	
CC(C)OC(=O)Nc1cccc(Cl)c1Cl	395163	UXEAHIFQYGDANS-UHFFFAOYSA-N	248.109	3.950	0	50	BHAA	
CO[C@@H]1c2ccccc2[C@H]2c3ccccc3C[C@H]12	4799829	YVSWPWVLBDPPOL-GVDBMIGSSA-N	236.314	3.692	0	50	BHAA	
Cc1cc(C)cc(-c2ccc(CC(=O)O)cc2)c1	41283708	OOHTVAZDYJTVRC-UHFFFAOYSA-N	240.302	3.598	0	50	BHAA	in-vitro
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@]2(C)C[C@@H]12	104290959	MFBMSFICEUZSLU-QUIZZNFMSA-N	244.334	3.705	0	50	BHAA	
Brc1ccc(C23CC(C2)C3)cc1	237985522	YJEHNVZISFSOBB-UHFFFAOYSA-N	223.113	3.501	0	50	BHAA	
Clc1ccc(OCC2CC2)c(Cl)c1	261493938	MEYQUFVLGSDKQC-UHFFFAOYSA-N	217.095	3.782	0	50	BHAA	
CC1=Nc2ccccc2N=C(N)[C@H]1c1ccccc1	211472	PQTNTLAURNVWGR-OAHLLOKOSA-N	249.317	3.565	0	50	BHAA	
COc1ccc(C(C)c2ccc(OC)cc2)cc1	282097	CQXQDXZMKXKMRS-UHFFFAOYSA-N	242.318	3.856	0	50	BHAA	
Cc1cc(Cl)c(Cl)cc1NC(=O)C1CC1	398415	QDLODPUOGGTQDK-UHFFFAOYSA-N	244.121	3.650	0	50	BHAA	
CC(C)(C)CC(CC(C)(C)C)C(=O)O	1648403	PQKYLIYFBFVIOW-UHFFFAOYSA-N	200.322	3.560	0	50	BHAA	
FC(F)(F)/C(Cl)=C(\Cl)C(F)(F)F	57988152	XDIDQEGAKCWQQP-OWOJBTEDSA-N	232.938	3.800	0	50	BHAA	
Cc1ccc(CNc2ccc3c(c2)CCC3)o1	181889	RGXXLUAUZXPVMR-UHFFFAOYSA-N	227.307	3.689	0	50	BHAA	
COc1ccc(CNc2cccc(C)c2)cc1	279895	WJBUQDJQMPWYEB-UHFFFAOYSA-N	227.307	3.616	0	50	BHAA	
c1ccc(C(c2ccccc2)n2ccnc2)cc1	4984210	MAZMHPQDNYKCOI-UHFFFAOYSA-N	234.302	3.521	0	50	BHAA	
Cc1ccc(CNc2ccc3[nH]ncc3c2)s1	23282722	LPIGZEOVIBUCFZ-UHFFFAOYSA-N	243.335	3.545	0	50	BHAA	
CCOC(=O)CCCC[C@H]1CC=C(C)CC1	39247194	WORUOURZKKLYDH-ZDUSSCGKSA-N	224.344	3.856	0	50	BHAA	
Cc1ccc2c(c1)C(=O)c1ccc(C)cc1-2	199422951	INNMONPUVKTIEY-UHFFFAOYSA-N	208.260	3.515	0	50	BHAA	in-vitro
CC[C@H](C)c1ccc(O)c(C(=O)C(C)C)c1	232354884	NFXVQZRHMNDVEN-JTQLQIEISA-N	220.312	3.744	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	232063	IKOQAZLFSPOYRG-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CC(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1	361248	PHSJJLICQTWSOW-UHFFFAOYSA-N	235.327	3.597	0	50	BHAA	
COc1ccc(NCc2ccc(Cl)cc2)cc1	571330	GQRCXKTWRYIKBP-UHFFFAOYSA-N	247.725	3.961	0	50	BHAA	
C[C@]1(c2ccccc2)CC1(Cl)Cl	2167101	NXYPRVQXSWVEOB-SECBINFHSA-N	201.096	3.522	0	50	BHAA	
CCCc1ccc2cc(OC)ccc2c1	33637075	DEMSTJLFNCGWTN-UHFFFAOYSA-N	200.281	3.801	0	50	BHAA	
c1ccc2c(c1)CC1(CCCCC1)CN2	117133157	ZKTGXUDCMWDZMQ-UHFFFAOYSA-N	201.313	3.605	0	50	BHAA	
CC[C@@H](C)N[C@H](c1ccccc1)c1nccs1	123256319	IDMAVXXRWCOFBM-DGCLKSJQSA-N	246.379	3.621	0	50	BHAA	
CC1=CC[C@@H]2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[C@@H]2CC=C[C@H]12	257358691	VUNCQWNEUUJXQY-RCZWDNKTSA-N	242.362	3.760	0	50	BHAA	
O=C(Cc1ccccc1Cl)Nc1ccccc1	3480915	LVDDTTZHZYHPPW-UHFFFAOYSA-N	245.709	3.521	0	50	BHAA	
CCC(CC)NC(=O)Nc1cccc(Cl)c1	18177819	OBOBUXGYTTWEPE-UHFFFAOYSA-N	240.734	3.650	0	50	BHAA	
CCc1cnc(C)nc1/C=C/c1ccccc1	65398366	MDAUYWUXKFGNDT-MDZDMXLPSA-N	224.307	3.518	0	50	BHAA	
CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)C2(C)C	101083027	ZMMCKTGRRVVQIW-VXGBXAGGSA-N	236.355	3.568	0	50	BHAA	
FC(F)c1n[nH]cc1SCc1ccccc1	225807854	PSVFLPIHERYKFZ-UHFFFAOYSA-N	240.278	3.640	0	50	BHAA	
Cc1nc2cc(-c3ccns3)ccc2s1	1875240587	CEJRNGGYGSCTIE-UHFFFAOYSA-N	232.333	3.728	0	50	BHAA	
CCn1c(NC2CCCCC2)nc2ccccc21	513462	NJWFKXMAIJGTGY-UHFFFAOYSA-N	243.354	3.801	0	50	BHAA	
CCCNC(=O)Nc1cc(Cl)cc(Cl)c1	2143131	JWWQWLWLWIKCPA-UHFFFAOYSA-N	247.125	3.525	0	50	BHAA	
CC(C)c1ccc(NC(=S)N2CCCC2)cc1	5559590	NQBWPHPQRWUHIW-UHFFFAOYSA-N	248.395	3.603	0	50	BHAA	
CCCC[C@H](CC)COC(=O)c1ccc(N)cc1	41067445	ZJQXUTDROPGVLH-LBPRGKRZSA-N	249.354	3.642	0	50	BHAA	
c1ccc(OCCCCCc2ccccn2)cc1	96027110	ZCAMTCVHPDZQQB-UHFFFAOYSA-N	241.334	3.873	0	50	BHAA	
Cc1nc2cc(Br)c(F)cc2s1	238493631	YXSZLMCYTFFBNF-UHFFFAOYSA-N	246.104	3.506	0	50	BHAA	
Cc1cccc(NC(=O)CCC2CCCCC2)n1	311265	ZBMINCNWAAAJMJ-UHFFFAOYSA-N	246.354	3.689	0	50	BHAA	
CC(=O)Nc1ccc(Sc2ccc(C)o2)cc1	409402	VNLKDLMRZHTDMN-UHFFFAOYSA-N	247.319	3.698	0	50	BHAA	
Cc1cccc2c1C(=O)c1c(C)cccc1-2	3130545	LJYATQRMZUCOSJ-UHFFFAOYSA-N	208.260	3.515	0	50	BHAA	
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O	3978626	SVURIXNDRWRAFU-OGMFBOKVSA-N	222.372	3.610	0	50	BHAA	biogenic,in-vitro
Cc1ccc2nc(C3CCCCC3)[nH]c2c1	13119460	BTTUILOCKWTBFO-UHFFFAOYSA-N	214.312	3.919	0	50	BHAA	
O=C1CC[C@@H](c2ccccc2F)c2ccccc21	39343593	UQEMVIDJUWWBHF-GFCCVEGCSA-N	240.277	3.934	0	50	BHAA	
CC(C)c1cncnc1-c1ccc(Cl)s1	67587203	AQDDYIPPSVTFRB-UHFFFAOYSA-N	238.743	3.982	0	50	BHAA	
CC(C)[C@H]1CCC(=O)C[C@@H]1SC(C)(C)C	725360556	IPHCWDMMTTZRTL-NEPJUHHUSA-N	228.401	3.912	0	50	BHAA	
Cc1ccc(-c2ocnc2CC2CC2)cc1F	2356164390	QYBZJAGSBGODOS-UHFFFAOYSA-N	231.270	3.742	0	50	BHAA	
c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1	87679	GWALHEDYKGBNEV-UHFFFAOYSA-N	247.301	3.887	0	50	BHAA	
COC(=O)c1cccc(-c2ccccc2Cl)c1	1260194	ZRBYBHMVOOJEDE-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
Cc1cccc(OCCOc2cccc(C)c2)c1	1707445	OAGNKYSIOSDNIG-UHFFFAOYSA-N	242.318	3.761	0	50	BHAA	in-vitro
CCC(=O)c1cc(Cl)ccc1Cl	2580760	KRBDEZHXQICPAA-UHFFFAOYSA-N	203.068	3.586	0	50	BHAA	in-vitro
O=C(c1ccc(Cl)cc1)c1cccc(F)c1	11631585	FIFXBQVRZOTUNN-UHFFFAOYSA-N	234.657	3.710	0	50	BHAA	in-vitro
c1ccc2c(c1)C1c3ccccc3C2[C@@H]2C[C@@H]12	101020698	CIDHTKPJWDPQRW-NUWOQIAWSA-N	218.299	3.914	0	50	BHAA	
Cc1noc(C)c1-c1nc(C(C)(C)C)cs1	150227736	ZMGYGUMXKWUPEM-UHFFFAOYSA-N	236.340	3.712	0	50	BHAA	
COc1ccc2c(c1)Nc1ccccc1S2	35763	DLYKFPHPBCTAKD-UHFFFAOYSA-N	229.304	3.903	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)c2cccc(Cl)c2)c1	126161	OHNRNTJVTMQERU-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
Cc1cc(Cl)ccc1NC(=O)C(C)(C)C	401783	ZNOIVABHKZATSH-UHFFFAOYSA-N	225.719	3.633	0	50	BHAA	
CC[C@H](C)c1ccc(-n2cccc2C=O)cc1	1527081	CQVQUDCJLWKGFQ-LBPRGKRZSA-N	227.307	3.803	0	50	BHAA	in-vitro
Fc1ccc(C(F)(F)F)c(F)c1Cl	2540169	CYFUOBOYBXLKCT-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	in-vitro
Cc1cc(F)ccc1NC(=O)c1ccccc1C	7750999	OZNPLMLTAKPQCS-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CC(C)COc1cccc(Cl)c1F	261494140	QTAVTZKTHCQSEK-UHFFFAOYSA-N	202.656	3.514	0	50	BHAA	
CC(C)CCN(C)Cc1cc(O)ccc1Cl	1473113240	CYZUAMMAJDUARB-UHFFFAOYSA-N	241.762	3.524	0	50	BHAA	
Cc1ccc(C(=O)c2ccccc2)cc1C	1706082	JENOLWCGNVWTJN-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	in-vitro
Clc1ccc([C@H]2CCCCN2)c(Cl)c1	2534020	YHDPNUBWYAFEEQ-LLVKDONJSA-N	230.138	3.808	0	50	BHAA	in-vitro
C[C@@H](NC(=O)c1ccccc1Cl)C(C)(C)C	12381121	SJQFDBFRIVRZFY-SECBINFHSA-N	239.746	3.504	0	50	BHAA	
Clc1ccc(CNCc2cccs2)cc1	16430640	BQPFLLLNGOCIMK-UHFFFAOYSA-N	237.755	3.691	0	50	BHAA	
CN1CCC[C@@H]2CCC[C@@H](c3ccccc3)[C@@H]21	71773127	JOUQNHPNPHYSCX-HRCADAONSA-N	229.367	3.665	0	50	BHAA	
CCCCC(=O)N1CC[C@H](c2ccc(C)cc2)C1	359999248	YZLGBZHGTJPSKK-HNNXBMFYSA-N	245.366	3.501	0	50	BHAA	
C[C@@H](CC1CC1)Nc1ccc2oc(CO)cc2c1	585117290	XJWDNLWHJGFSGE-JTQLQIEISA-N	245.322	3.526	0	50	BHAA	
COc1cccc(-n2ccc3ccccc32)c1	185293	IGJQHYWPULMJPU-UHFFFAOYSA-N	223.275	3.639	0	50	BHAA	
COc1ccc(NCc2cc(F)ccc2F)cc1	214164	UCNSXRCELDUFGY-UHFFFAOYSA-N	249.260	3.586	0	50	BHAA	
Cc1oc2c(c(C)cc3oc(=O)cc(C)c32)c1C	489332	CQDXLVWXVIBMET-UHFFFAOYSA-N	242.274	3.773	0	50	BHAA	biogenic
Clc1nc2cc(Cl)c(Cl)cc2[nH]1	1727424	SUQYOUJCBGMSLV-UHFFFAOYSA-N	221.474	3.523	0	50	BHAA	in-vitro
CCCCNC(=O)Nc1ccc(Cl)cc1C	2170885	WDZXXGOYFIVHBO-UHFFFAOYSA-N	240.734	3.570	0	50	BHAA	
N=c1oc2ccccc2cc1-c1ccccc1	4831127	SEMOZQZSHHXJOR-UHFFFAOYSA-N	221.259	3.579	0	50	BHAA	
C[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C)[C@]13C=C[C@@]21CC=CC3	249690805	KYBVGURWBOKRGE-XFHWEBQZSA-N	212.336	3.967	0	50	BHAA	
CCC(CC)C(=O)Nc1cc(C)cc(C)c1	363693	KEBFKCMRLXFNFV-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)o1	483431	MBISZKMHRVKTKI-UHFFFAOYSA-N	243.306	3.964	0	50	BHAA	
O=C(O)Cc1ccc(-c2cccc(Cl)c2)cc1	1257243	OFYYGQTZEFSDIM-UHFFFAOYSA-N	246.693	3.634	0	50	BHAA	in-vitro
Cc1c(F)cccc1NC(=O)c1cccc(F)c1	1426305	OOCQIFMOKOOBIR-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC[C@](C)(O)[C@](C)(CC)c1ccccc1	3132923	QRQGNYLQOQLEKT-KGLIPLIRSA-N	206.329	3.515	0	50	BHAA	
CC[C@H](C)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C	5876009	GKALCFQHWDCYST-GMXVVIOVSA-N	231.339	3.795	0	50	BHAA	
Cc1ccc(C)c([C@H](C)NC(=O)C2CCCC2)c1	6700059	UQKNSTVJSIFTKO-ZDUSSCGKSA-N	245.366	3.671	0	50	BHAA	
Cc1c(C)n(C(C)C)c2ccc(C=O)cc12	222927367	SYDLLYXYDUNXLV-UHFFFAOYSA-N	215.296	3.652	0	50	BHAA	
Fc1ccc(OC2CCCC2)cc1Cl	261493731	IDXDRNCBERTDCA-UHFFFAOYSA-N	214.667	3.801	0	50	BHAA	
Cc1cccc(NC(=O)Cc2cccs2)c1C	477395	FOTQGQSUJAUDEA-UHFFFAOYSA-N	245.347	3.546	0	50	BHAA	
Oc1ccc2sc3ccccc3c2c1	480814	XCIQGLJEEKGMRM-UHFFFAOYSA-N	200.262	3.760	0	50	BHAA	in-vitro
O=C(O)c1ccccc1Sc1ccccc1	1672344	PMLBXJKQYSENQH-UHFFFAOYSA-N	230.288	3.536	0	50	BHAA	
CSc1ccc(-c2ccccc2O)cc1	16948294	SCSCYJCXMRAVOK-UHFFFAOYSA-N	216.305	3.781	0	50	BHAA	in-vitro
Cc1ccc2c(Cl)cc(Cl)cc2n1	32099471	HOGMFBWKANERDP-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
O=C1CCCCC[C@@H]1c1ccccc1Cl	44126068	UKNJBPMTSDGPBJ-LLVKDONJSA-N	222.715	3.957	0	50	BHAA	
Cc1cn2c(n1)-c1ccccc1Nc1ccccc1-2	71774242	PPJDGNATUBQBAY-UHFFFAOYSA-N	247.301	3.905	0	50	BHAA	
CCSc1ncc(C(F)(F)F)cc1Cl	255927719	JYONYNQKCWEVLE-UHFFFAOYSA-N	241.665	3.866	0	50	BHAA	
Clc1ccc(Br)cc1Cl	395590	CFPZDVAZISWERM-UHFFFAOYSA-N	225.900	3.756	0	50	BHAA	in-vitro
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C	1996369	ZRVAAGAZUWXRIP-UHFFFAOYSA-N	244.382	3.829	0	50	BHAA	in-vitro
Cc1ccc(Br)c(C(F)(F)F)c1	2382285	WXXDBPIOFOYRLP-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
O=C(O)c1ccc(Oc2ccccc2Cl)cc1	2513169	MVCATMWWLOULMN-UHFFFAOYSA-N	248.665	3.831	0	50	BHAA	in-vitro
CCCCC(=O)Nc1ccc(F)c(Cl)c1	2998916	FGTIMPDLDJNZLK-UHFFFAOYSA-N	229.682	3.608	0	50	BHAA	
CC1(C)CCCCC12Oc1ccccc1O2	43214736	KXTPJUIMZLOYJO-UHFFFAOYSA-N	218.296	3.754	0	50	BHAA	
Fc1cccc2c(Br)cccc12	63148584	ZYBZDDMAAQTLEV-UHFFFAOYSA-N	225.060	3.741	0	50	BHAA	in-vitro
Cc1ccc2nc(-c3ccc(C)c(N)c3)oc2c1	122994	RGNOSZJCKGNNKE-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
O=C(O)c1cc2cc(C(F)(F)F)ccc2s1	169303	ROIKYRUNAMGSHG-UHFFFAOYSA-N	246.209	3.618	0	50	BHAA	in-vitro
Cc1cc(Br)c(C(C)C)cc1O	169797	YDZJYFWYHBUUKA-UHFFFAOYSA-N	229.117	3.587	0	50	BHAA	in-vitro
O=C(Nc1ccccc1)OC1CCCCC1	395037	CEUNIYVZFAQQSI-UHFFFAOYSA-N	219.284	3.568	0	50	BHAA	
CSc1ccccc1C(=O)Nc1ccccc1	582438	MHSFQLRSHXSBDJ-UHFFFAOYSA-N	243.331	3.661	0	50	BHAA	
O=C(CC1CCCCC1)Nc1ccccc1F	859343	ATKUVNDPCFMMCU-UHFFFAOYSA-N	235.302	3.735	0	50	BHAA	
Cc1ccccc1CN[C@H](C)c1ccccc1	4167729	KNHPPIQCIOYHFR-CQSZACIVSA-N	225.335	3.846	0	50	BHAA	
CC(F)(F)c1ccc(F)cc1Br	63361098	IWWXVLPLYCRPJI-UHFFFAOYSA-N	239.034	3.700	0	50	BHAA	
O=C(/C=C/c1cccs1)NC1CCCCCC1	376604	IGGYSCHXVAPPCX-MDZDMXLPSA-N	249.379	3.600	0	50	BHAA	
c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1	432650	TZGVTJQEPWNPGD-UHFFFAOYSA-N	247.301	3.887	0	50	BHAA	
C[C@@H]1CCOC2(CCC(C(C)(C)C)CC2)O1	451895	YXVMHTMPUCZZEW-LKSINWNRSA-N	226.360	3.744	0	50	BHAA	
ClC1(Cl)C(Cl)(Cl)C1(Cl)Cl	1715469	AVFQBLKYJWKKJP-UHFFFAOYSA-N	248.751	3.522	0	50	BHAA	
CC(=O)c1ccc2c(c1)[nH]c1ccccc12	1868833	UTQDTPYWVOXWMK-UHFFFAOYSA-N	209.248	3.524	0	50	BHAA	
CCCCNCCCCOc1ccc(CC)cc1	4996490	BSCCAXKZXXYFMV-UHFFFAOYSA-N	249.398	3.798	0	50	BHAA	
C1=CC[C@]23CSC[C@@]2(C1)Cc1ccccc1C3	45027950	ZEHLKKQWOFVPTO-IYBDPMFKSA-N	242.387	3.855	0	50	BHAA	
CCC[C@@H]1OC[C@@H]2[C@H](C)[C@@H]1C(C)=C[C@H]2C	248195826	PLNTZIJJUMKIGW-QJPDTAOJSA-N	208.345	3.650	0	50	BHAA	biogenic
CCCCOc1cc(Cl)ccc1OC	261494126	QMWNVBGKXDMKAN-UHFFFAOYSA-N	214.692	3.528	0	50	BHAA	
O=C(O)[C@H](CC=C(Cl)Cl)c1ccccc1	403334850	DVTZYKAMFYBUKV-SECBINFHSA-N	245.105	3.564	0	50	BHAA	
Fc1cc(F)c2nccc(-c3cccnc3)c2c1	426487395	MWEKUJMFYLGACU-UHFFFAOYSA-N	242.228	3.575	0	50	BHAA	
CCC[C@@](C)(CO)COc1ccc(Cl)cc1	405340	GRNVEQVKGCKXQT-ZDUSSCGKSA-N	242.746	3.518	0	50	BHAA	
CCCCC(=O)Nc1ccc(Cl)cc1C	1777502	PIEDXLVZYHGFEE-UHFFFAOYSA-N	225.719	3.777	0	50	BHAA	
Cc1ccc(C(C)C)c(Br)c1	2037795	XMIWWDSQSRUTKQ-UHFFFAOYSA-N	213.118	3.881	0	50	BHAA	
Cc1sc(N)nc1C12CC3CC(CC(C3)C1)C2	3878910	KEPZEVZDHSROMF-UHFFFAOYSA-N	248.395	3.502	0	50	BHAA	
CC1(C)[C@H]2CC[C@]3(C2)[C@H]1C(=O)CCC3(C)C	5762179	VCOCESNMLNDPLX-WBIUFABUSA-N	220.356	3.818	0	50	BHAA	in-vitro
Cc1ccc(N2CNc3ccc(C)cc3C2)cc1	23549791	ARACBZRLCMTRBZ-UHFFFAOYSA-N	238.334	3.693	0	50	BHAA	
C1=C(c2nc(-c3cncs3)no2)CCCCC1	329610388	RCVCNNWRFNPFQI-UHFFFAOYSA-N	247.323	3.541	0	50	BHAA	
CCO[C@H](C)c1ccc(-c2ncccc2O)cc1	426551418	ZYFYKVZCSOLEIQ-LLVKDONJSA-N	243.306	3.552	0	50	BHAA	
O=C1O[C@@H](c2ccc(Cl)cc2)c2ccccc21	170541	SUSCNWIPCFTMMQ-ZDUSSCGKSA-N	244.677	3.600	0	50	BHAA	biogenic
CC[C@H](C)NC(=O)c1ccc(Cl)cc1Cl	235780	JVXMWYNJFMRUSP-ZETCQYMHSA-N	246.137	3.522	0	50	BHAA	
Cc1cccc(NC(=O)c2ccc(F)cc2)c1C	298862	LHMIFTDMQDMDDC-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1ccc(C)c(Cn2cnc3ccccc32)c1	352861	KAUYGLBHEVVUBY-UHFFFAOYSA-N	236.318	3.701	0	50	BHAA	
CCC(c1ccc(O)cc1)c1ccc(O)cc1	402242	YKPAABNCNAGAAJ-UHFFFAOYSA-N	228.291	3.640	0	50	BHAA	biogenic,in-vitro
Nc1ccc(Br)cc1-c1ccccc1	1602545	QNZCSSKDCUYENG-UHFFFAOYSA-N	248.123	3.698	0	50	BHAA	
Cc1scc(C(=O)N[C@H](C)C(C)(C)C)c1C	13744784	JDLRQBLOPSVLQS-SNVBAGLBSA-N	239.384	3.529	0	50	BHAA	
CC[C@@H](NC(=O)C(C)(C)C)c1ccc(C)cc1	70236933	KFANVCMJRXEWLU-CYBMUJFWSA-N	233.355	3.608	0	50	BHAA	
O=c1cc(-c2ccccc2F)oc2ccccc12	482516	WGCVYBFPCUCTRY-UHFFFAOYSA-N	240.233	3.599	0	50	BHAA	
CCC(=O)OC/C=C(\C)CCC=C(C)C	1677808	BYCHQEILESTMQU-FMIVXFBMSA-N	210.317	3.632	0	50	BHAA	in-vitro
CC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12	2143322	IOLWBDDQDKVRIE-AOCRQIFASA-N	248.325	3.873	0	50	BHAA	
Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O	95212	HTWWGBVBMFKAMA-UHFFFAOYSA-N	242.274	3.773	0	50	BHAA	biogenic
Cc1cc(C)c(NC(=O)c2ccccc2)c(C)c1	142973	PZPICRHMNVKCCO-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1cc(Cl)ccc1NC1=NC[C@@H](C)S1	278023	NKUYQMIQBUTTOG-MRVPVSSYSA-N	240.759	3.552	0	50	BHAA	
CCc1c(CCC(C)=O)oc2ccc(C)cc12	518836	BSTOBQKSHRRYEO-UHFFFAOYSA-N	230.307	3.825	0	50	BHAA	biogenic
CC(C)(C)NCCOc1ccc2ccccc2c1	2931553	WKYZEGKWGLAQQR-UHFFFAOYSA-N	243.350	3.607	0	50	BHAA	
C[C@H](O)CC1(C)c2ccccc2-c2ccccc21	3125061	LAAVDJOFEYEVTK-LBPRGKRZSA-N	238.330	3.744	0	50	BHAA	
S=c1[nH]c2cc(Cl)cc(Cl)c2[nH]1	3887547	HNKJSTHUMPQTMF-UHFFFAOYSA-N	219.096	3.532	0	50	BHAA	in-vitro
Cn1c(/C=C/c2ccccc2)nc2ccccc21	4003246	QDZVXONVFRIVPN-VAWYXSNFSA-N	234.302	3.744	0	50	BHAA	
CC(=O)[C@@]1(C)CC=C2CCCC[C@@]2(C)C1	71786113	SCNOGLGLLDCTJX-KBPBESRZSA-N	206.329	3.882	0	50	BHAA	
CC(C)S[C@H]1CC(=O)CC[C@H]1C(C)C	725360570	IPTOHXORLWWBPE-RYUDHWBXSA-N	214.374	3.522	0	50	BHAA	
Cc1cccc(C(=O)Nc2cc(C)ccc2C)c1	101276	PIOZLXDXIAZDGP-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1ccc(OC(=O)Oc2ccc(C)cc2)cc1	396315	IZJIAOFBVVYSMA-UHFFFAOYSA-N	242.274	3.881	0	50	BHAA	
Oc1ccc(CNc2ccc(Cl)cc2)cc1	397781	ZDEUJEHDUBUXNW-UHFFFAOYSA-N	233.698	3.658	0	50	BHAA	
CCc1cccc(CC)c1NC(=O)NC(C)(C)C	401507	KTYXQIAKDDGHFB-UHFFFAOYSA-N	248.370	3.731	0	50	BHAA	
Clc1cccc(CNCc2ccccc2)c1	9194455	GXANNDMRRFEMAA-UHFFFAOYSA-N	231.726	3.630	0	50	BHAA	
OCc1ccc(Oc2ccc(Cl)cc2)cc1	20435359	KJGZOJJWQRGHCL-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
CCCCc1ccsc1Br	34538930	KNBLITSBUDZSJW-UHFFFAOYSA-N	219.147	3.853	0	50	BHAA	in-vitro
Cc1ccc2cc(C(=O)C(C)(C)C)ccc2n1	123475261	CAEBUXHJRJLFCJ-UHFFFAOYSA-N	227.307	3.772	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	257357692	PLKZREXNHMCRGP-RGEWXMFXSA-N	244.378	3.674	0	50	BHAA	
C[C@H]1CCCC[C@H]1Oc1ccccc1CCCO	584907139	DPLPACOUWRVFGN-DZGCQCFKSA-N	248.366	3.569	0	50	BHAA	
CC(=O)OC[C@H]1C=C(c2ccccc2C)C=CC1	1772715421	UQMJKTNSLJBMAH-CQSZACIVSA-N	242.318	3.518	0	50	BHAA	
Cc1ccc2nc(-c3ccccc3Cl)cn2c1	433066	XNQVRVZSBTWRRB-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	
CC(C)(C)c1ccc(C(C)(C)C)c(O)c1	1695283	KDBZVULQVCUNNA-UHFFFAOYSA-N	206.329	3.987	0	50	BHAA	biogenic
COc1ccc(-c2ccccc2C(C)=O)cc1	2525653	RZWZMAGUDRTXDT-UHFFFAOYSA-N	226.275	3.565	0	50	BHAA	in-vitro
CCCCNCCCCCOc1ccccc1C	5008266	MHSQOJJAGIEOOP-UHFFFAOYSA-N	249.398	3.934	0	50	BHAA	
CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1	5696403	SALKRYBXVDVQGA-TYNCELHUSA-N	245.366	3.643	0	50	BHAA	
Brc1ncccc1-c1ccccc1	14982294	BCKWPWFSMVGPRC-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	
Fc1ccc(CNC2CCCCC2)c(Cl)c1	20035643	XSBMDLKRKUMWNH-UHFFFAOYSA-N	241.737	3.901	0	50	BHAA	
c1ccc2c(c1)C[C@H]1[C@H](C2)[C@H]2O[C@H]1c1ccccc12	104229036	JAPYNJXJPWUCEV-XSLAGTTESA-N	248.325	3.844	0	50	BHAA	
Cc1cnc(-c2coc3cc(Cl)ccc23)nc1	1875290050	MTLVIUDPPOCCAU-UHFFFAOYSA-N	244.681	3.852	0	50	BHAA	
c1ccc(CNc2nccc3ccccc23)cc1	13164	VHOZFSQGOUEHHG-UHFFFAOYSA-N	234.302	3.847	0	50	BHAA	
O=C(Nc1ccccc1)c1c(F)cccc1Cl	439267	WLEPFLMOOJUATL-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
O=Cc1ccc(C(F)(F)F)cc1C(F)(F)F	2575061	DLRCWXOCZIUZBS-UHFFFAOYSA-N	242.118	3.537	0	50	BHAA	in-vitro
O=C(Nc1ccc2c(c1)CCC2)C1CCCCC1	3136078	ADQNSRXQZKBMQK-UHFFFAOYSA-N	243.350	3.694	0	50	BHAA	
COc1ccc(C)cc1[C@H]1Cc2ccccc2N1	3715055	YTDJTCJLYRWFDY-OAHLLOKOSA-N	239.318	3.713	0	50	BHAA	
CC(C)Oc1ccc([C@H](CCN)C(C)C)cc1	5048164	UFIDCGUVRHXCHN-OAHLLOKOSA-N	235.371	3.562	0	50	BHAA	
CCCOCCCCCCCCCC(=O)O	5835698	HSRAJJQTYQHRSA-UHFFFAOYSA-N	230.348	3.618	0	50	BHAA	biogenic,in-vitro
Fc1ccc(-n2nccc2-c2ccccc2)cc1	26897136	GGFYIYBQOJNNLW-UHFFFAOYSA-N	238.265	3.678	0	50	BHAA	
N[C@@H](CCCOc1ccccc1)c1ccccc1	43458348	OFULAOXGJPMRMF-INIZCTEOSA-N	241.334	3.546	0	50	BHAA	
CC(C)Oc1cccc(NC(=O)C2CCCC2)c1	72115413	LSYAMWCVKLRGIS-UHFFFAOYSA-N	247.338	3.603	0	50	BHAA	
CC(=O)[C@H](C)c1cc2ccccc2s1	166212329	VONODQNXGPGXGS-QMMMGPOBSA-N	204.294	3.594	0	50	BHAA	
CCOC(=O)c1ccc(-c2ccc(C)cc2)s1	2385695	AFGHNUXPONWSCT-UHFFFAOYSA-N	246.331	3.900	0	50	BHAA	
CC(C)Oc1ccc(Cl)c(Br)c1	2545233	OGNRHIXYWKPIGR-UHFFFAOYSA-N	249.535	3.890	0	50	BHAA	
C=CCCCC[C@](C)(C(=O)O)c1ccccc1	45074595	JZHWLMQJEHZIBY-HNNXBMFYSA-N	232.323	3.775	0	50	BHAA	
O=Cc1cc2c(C(F)(F)F)cccc2s1	165110051	VCHLKWCXMAPNFU-UHFFFAOYSA-N	230.210	3.733	0	50	BHAA	
Cc1ccc(C(=O)c2ccccc2Cl)c(O)c1	58227	OTCDVKUDWWUJPO-UHFFFAOYSA-N	246.693	3.585	0	50	BHAA	
Cc1ccc2oc(-c3cccc(N)c3C)nc2c1	154836	FPHIAHDEBCGDQX-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
C[C@@H]1N(Cc2ccccc2)CC12CCCCC2	1195261	KDXZIEBCIJZYPX-AWEZNQCLSA-N	229.367	3.841	0	50	BHAA	
CC(=O)c1ccc(CCc2ccccc2)cc1	1845686	KIRXEYNVGWVPRO-UHFFFAOYSA-N	224.303	3.674	0	50	BHAA	in-vitro
CC[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	2015169	IYEPZNKOJZOGJG-OAHLLOKOSA-N	240.302	3.932	0	50	BHAA	in-man
CC(C)(C)c1cc(CC(=O)O)cc(C(C)(C)C)c1	7023264	VOMXJSLQKJJZSU-UHFFFAOYSA-N	248.366	3.909	0	50	BHAA	
CC[C@@H](C)c1ccc(O)c(Br)c1	12403773	ZAINGYFRUOVIGY-SSDOTTSWSA-N	229.117	3.668	0	50	BHAA	in-vitro
Brc1cccc(-c2ccncc2)c1	39408613	LCTYNEHIFPECNL-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
C[Si](C)(C)c1cccc(-c2ccccc2)c1	195773149	GXKHDONHBOTZRQ-UHFFFAOYSA-N	226.395	3.899	0	50	BHAA	
C1=C[C@@H]2C=C[C@H]3C(c4ccccc4)=C[C@@H]1[C@H]23	216395785	XRSSQIQMXCVBAC-NYTXWWLZSA-N	206.288	3.688	0	50	BHAA	
Fc1cccc2c(N=c3cc[nH]cc3)cccc12	2325893998	IGRZQYMFKHRPOQ-UHFFFAOYSA-N	238.265	3.539	0	50	BHAA	
CN(C)[C@H](CCc1ccccc1)c1ccccc1	32170728	GFGRRRKNHSDLAO-QGZVFWFLSA-N	239.362	3.922	0	50	BHAA	
O=Cc1ccc2ccc(-c3ccccc3)nc2c1	66339820	GRFNOZJZUIOWTO-UHFFFAOYSA-N	233.270	3.714	0	50	BHAA	
CCC[C@@H](C)n1ccnc1-c1cccc(C)n1	71415614	RFJQKFSJBPRZFO-GFCCVEGCSA-N	229.327	3.615	0	50	BHAA	
CCO[C@@H](C)c1ccc(-c2cnn(CC)c2)cc1	96148922	BRABKEFSPUPZAO-LBPRGKRZSA-N	244.338	3.668	0	50	BHAA	
CC(C)(C)[C@H]1CC=C([Si](C)(C)C)[C@@H](O)C1	169827550	SSOZKSWGJTVHNK-QWRGUYRKSA-N	226.436	3.607	0	50	BHAA	
Cc1ccc(F)cc1NC(=O)c1ccccc1C	312823	JPWSFDFFAIELRQ-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CCCCc1ccc(Br)cc1	2390036	BRGVKVZXDWGJBX-UHFFFAOYSA-N	213.118	3.792	0	50	BHAA	in-vitro
CC[C@](C)(O)C(c1ccccc1)c1ccccc1	3132882	TUZWVXGLUKCSBN-KRWDZBQOSA-N	240.346	3.980	0	50	BHAA	
Cc1ccc([C@H](O)c2ccc(Cl)cc2)cc1	4242618	CYLLIAPEJJBIRK-AWEZNQCLSA-N	232.710	3.730	0	50	BHAA	in-vitro
CCSc1nc(C)nc2c1oc1ccccc12	4301430	GPOVRRSXJHUYLV-UHFFFAOYSA-N	244.319	3.796	0	50	BHAA	
O=C(O)C1(CCc2ccccc2)CCCCC1	41259274	YBPPWOLVLAYLSA-UHFFFAOYSA-N	232.323	3.654	0	50	BHAA	
C[C@@H](CCCC(C)(C)O)NC1CCCCCC1	3684447	ROHUHIWEOOVMEQ-ZDUSSCGKSA-N	241.419	3.629	0	50	BHAA	
CC[C@H](O)CC[C@@]1(C)CCC(C)=C[C@@H]1C	3882001	SUQHUQJFQPNSCG-MELADBBJSA-N	210.361	3.920	0	50	BHAA	biogenic
C(=C/c1nnc(-c2ccccc2)o1)\c1ccccc1	4951670	MIQDFIINRMWWAK-VAWYXSNFSA-N	248.285	3.907	0	50	BHAA	
Clc1nccc(-c2ccc3ccccc3c2)n1	12396834	NZIPCHARTLTIOR-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	
O=C(O)c1ccc(-c2ccccc2)cc1Cl	47207383	SIJOLCGREMQDIW-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Brc1ccccc1-c1cccnc1	146489940	XEQMSSLGEYCVDC-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
O=Cc1cn(C2CC2)c2cc(C3CC3)ccc12	222927842	PKCQOWHNWKIUJI-UHFFFAOYSA-N	225.291	3.666	0	50	BHAA	
Cc1c(Cl)cc2c(c1Cl)CCCN2	307575727	KYIIFQBSUGTHBR-UHFFFAOYSA-N	216.111	3.660	0	50	BHAA	
O=Cc1ccc(-c2ccccc2C(F)(F)F)o1	57022	BECHPBVVELWRBW-UHFFFAOYSA-N	240.180	3.778	0	50	BHAA	
Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1	122999	QZWFTMFERGNVLX-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(F)cc2C)cc1	1079565	LOTNVQKSWZCYIV-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
O=C(CCc1ccccc1)c1ccccc1	1089845	QGGZBXOADPVUPN-UHFFFAOYSA-N	210.276	3.502	0	50	BHAA	endogenous,in-man
C[C@H]1CC[C@H](C(C)(C)c2ccccc2)[C@@H](O)C1	2539369	WTQIZFCJMGWUGZ-QEJZJMRPSA-N	232.367	3.761	0	50	BHAA	
CCCNc1ccc(Br)c(C)c1	19908155	BGDQYMXRQSGRQA-UHFFFAOYSA-N	228.133	3.579	0	50	BHAA	
CC(C)Oc1cc(Cl)ccc1Cl	105655334	LLPFQJLKFDPDKS-UHFFFAOYSA-N	205.084	3.781	0	50	BHAA	
Cc1nc2cc(Cl)ccc2n1-c1ccccc1	236068	BDYHHBOQBZEHLL-UHFFFAOYSA-N	242.709	3.987	0	50	BHAA	
CCc1cc2c(NC3CCCC3)ncnc2s1	572948	YYHONPQPKQQCOQ-UHFFFAOYSA-N	247.367	3.608	0	50	BHAA	
Cc1ccc(C)c(OCCCNC(C)(C)C)c1C	2931301	QIFNCPVFDVJCQV-UHFFFAOYSA-N	249.398	3.769	0	50	BHAA	
C[C@@H](Oc1ccccc1)c1nc2ccccc2[nH]1	3277524	LXOLJRITACRNID-LLVKDONJSA-N	238.290	3.703	0	50	BHAA	
Cc1ccc2oc(-c3ccccc3O)nc2c1	5547815	FZQGBQAOJPVIOS-UHFFFAOYSA-N	225.247	3.509	0	50	BHAA	
Cc1ccc(C)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1	244187140	VMNUJZBAOUTBFJ-IHRRRGAJSA-N	243.350	3.678	0	50	BHAA	
Cc1ccc(-c2nnc(-c3cccs3)o2)cc1	187418	UFSABVPRBSDFAW-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
S=c1[nH]nc(-c2ccco2)n1C1CCCCC1	535253	HUMGDSMVFUPLEV-UHFFFAOYSA-N	249.339	3.706	0	50	BHAA	
CCCCC[C@H](C(=O)O)c1ccccc1C	2159887	ZPAZIQAQASNDHW-ZDUSSCGKSA-N	220.312	3.744	0	50	BHAA	
CC(C)c1cccc(OCCNC(C)(C)C)c1	2933463	IGSKLEGWQKCLLM-UHFFFAOYSA-N	235.371	3.577	0	50	BHAA	
Cc1ccccc1NC(=O)c1cc(F)ccc1F	16649899	FOTAYUYLKTZPET-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CCc1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	101747800	NRSVTLCAUHRCIH-FPMFFAJLSA-N	243.350	3.624	0	50	BHAA	
CCCCOc1cc(C)cc2oc(=O)cc(C)c12	2840444	GLSYMOVNNQMTIB-UHFFFAOYSA-N	246.306	3.589	0	50	BHAA	biogenic
Cc1ccnc(NCc2ccc(Cl)cc2)c1	4124859	NQBXTWUDCJPOEJ-UHFFFAOYSA-N	232.714	3.656	0	50	BHAA	
CC[C@H](C)c1ccc(O)c(Br)c1	12403774	ZAINGYFRUOVIGY-ZETCQYMHSA-N	229.117	3.668	0	50	BHAA	in-vitro
FC(F)(F)[C@H]1C=C1CCOCc1ccccc1	95629981	XQSBVBUNFDPUAP-LBPRGKRZSA-N	242.240	3.712	0	50	BHAA	
COC(=O)c1ccccc1-c1ccc(C)c(F)c1	97757137	XUKHPWSCKBEWEO-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CN(Cc1ccco1)c1ccnc2ccsc12	172821411	GLTXEKWUMCXHHN-UHFFFAOYSA-N	244.319	3.526	0	50	BHAA	
CCOc1ccc(NC(=O)C2CCCCC2)cc1	353843	BLDXAFRTVQGMOC-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
Cc1cccc(OC(=O)NC2CCCCC2)c1C	398652	PUKCIGYTFSTMTQ-UHFFFAOYSA-N	247.338	3.725	0	50	BHAA	
CCCOC(=O)Nc1c(Cl)cccc1Cl	2171783	BPFSTSIQVGXYSG-UHFFFAOYSA-N	248.109	3.952	0	50	BHAA	
CC[C@H](C)NCCCCOc1cc(C)ccc1C	2823845	MTBJAXNPFALDNI-HNNXBMFYSA-N	249.398	3.851	0	50	BHAA	
c1ccc2c(C[C@H]3CCCCN3)cccc2c1	3734638	MKNYCCHEHJVUHR-OAHLLOKOSA-N	225.335	3.524	0	50	BHAA	in-vitro
COc1cc(Cl)ccc1[C@@H]1CCCCCN1	4237894	XGQUKTYNXGRVRD-LBPRGKRZSA-N	239.746	3.553	0	50	BHAA	in-vitro
Cc1c(F)cccc1NC(=O)c1ccc(F)cc1	16623979	HJCNUFJELZUSDH-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC1=CCCN(C23CC4CC(CC(C4)C2)C3)C1	65336776	YBFIUUMCEXDWQY-UHFFFAOYSA-N	231.383	3.607	0	50	BHAA	
Cc1c(Cl)nc(Cl)c(C)c1Cl	669370065	YXQGFVYUGULKAT-UHFFFAOYSA-N	210.491	3.659	0	50	BHAA	
Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1	29220	JLVPHVCBTREPJZ-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
OCc1ccc(-c2cc(Cl)cc(Cl)c2)o1	360900	JEHATNRRILNGKC-UHFFFAOYSA-N	243.089	3.746	0	50	BHAA	
c1ccc(C(c2ccccc2)[C@H]2CCCN2)cc1	2569919	OXOBKZZXZVFOBB-MRXNPFEDSA-N	237.346	3.571	0	50	BHAA	in-vitro
O=Cc1ccc(OCc2ccccc2)cc1Cl	34212542	NYDXXBPGGPYUDR-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	
c1ccc(Nc2nccn2-c2ccccc2)cc1	71773332	YZCLOPGTTDUJPI-UHFFFAOYSA-N	235.290	3.616	0	50	BHAA	
Cc1cccc(N[N+](=O)c2cccc(C)c2)c1	409415859	XICZWOKYPFMTAM-UHFFFAOYSA-N	227.287	3.741	0	50	BHAA	
CC(C)c1ccccc1NC(=O)c1ccco1	29991	QVQJWMXHUDSAAD-UHFFFAOYSA-N	229.279	3.655	0	50	BHAA	
Cc1cccc(C)c1NC(=O)Nc1ccccc1	241425	KQUIMGLCJSOHFO-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
CCCC[C@@H](CC)CNC(=O)c1ccccc1	2181346	HSJYKKAHUWSVNF-CYBMUJFWSA-N	233.355	3.633	0	50	BHAA	
Cc1ccc(-c2ccc(C=O)s2)cc1	2385698	CNHGZKBPLKLVSD-UHFFFAOYSA-N	202.278	3.536	0	50	BHAA	in-vitro
Cc1ccc(C(=O)Nc2cccc(C)c2C)s1	5558530	PYKUIMCENHCPRS-UHFFFAOYSA-N	245.347	3.926	0	50	BHAA	
CC[C@H](C)c1ccccc1NC(=O)[C@H]1C[C@@H]1C	5876013	GKALCFQHWDCYST-GVXVVHGQSA-N	231.339	3.795	0	50	BHAA	
CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1C	72117668	XYSGFJGMWAXUJX-CYBMUJFWSA-N	233.355	3.608	0	50	BHAA	
CC(=O)c1c(-c2ccc(Cl)cc2)noc1C	123969	XSAMMAPYCPHHKH-UHFFFAOYSA-N	235.670	3.506	0	50	BHAA	
CCCCc1cccc(Br)c1	65356427	WLVSTXWBNDJBBG-UHFFFAOYSA-N	213.118	3.792	0	50	BHAA	
Cc1ccc(NC(=O)SC(C)C)cc1	396810	QQTXTMOLZZWYSB-UHFFFAOYSA-N	209.314	3.669	0	50	BHAA	
CCC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	441437	FFDYIBFVDLYMJA-LBPRGKRZSA-N	247.382	3.903	0	50	BHAA	
c1ccc(-c2nnc(-c3ccccc3)s2)cc1	711442	LKZWCRGTHNZTQN-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
Cc1csc(Nc2ccc(Cl)cc2)n1	2876323	YFMDICSBNKOPAE-UHFFFAOYSA-N	224.716	3.849	0	50	BHAA	
C(/C=C/c1ccccn1)=C\c1ccccc1	6056538	NJCSDLLKYWVORU-ZVSIBQGLSA-N	207.276	3.808	0	50	BHAA	
CC(C)OCCCNCc1ccc(C(C)C)cc1	12382971	FWYFVYWEAIAQHP-UHFFFAOYSA-N	249.398	3.715	0	50	BHAA	
C[C@H](Nc1nnc(C2CCC2)o1)C1=CCCCC1	95359459	SQUFREDIJZPYOI-JTQLQIEISA-N	247.342	3.638	0	50	BHAA	
CCCCc1ccc(-c2cc(CO)ccn2)cc1	97743052	VLXUNFURVORJBF-UHFFFAOYSA-N	241.334	3.584	0	50	BHAA	
O=C1C[C@H](c2ccccc2)c2cccc(F)c21	1396639	TUQUCVQMVSSGPM-GFCCVEGCSA-N	226.250	3.544	0	50	BHAA	
Oc1ccc([C@@H]2CCCc3ccccc32)cc1	38284203	XYMDDBCMZHMKKX-INIZCTEOSA-N	224.303	3.860	0	50	BHAA	in-vitro
CC1=CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2[C@H](O)[C@@H]2CC=C[C@@H]12	257359066	YCMCSGLLCUSKCL-NBRORCAESA-N	244.378	3.552	0	50	BHAA	
Cc1cc(-c2cnc(C(C)(C)C)[nH]2)ccc1F	1506407477	JNOWFVMCISRWKP-UHFFFAOYSA-N	232.302	3.822	0	50	BHAA	
C[C@H]1CCC[C@@H](/C=C/Nc2cccc(F)c2)C1=O	1776111213	GWWOPNSQFMLRMU-OMJLJAAMSA-N	247.313	3.757	0	50	BHAA	
CCCC1(NC(=O)c2ccccc2)CCCC1	184599	LXDSARNJDQBWAI-UHFFFAOYSA-N	231.339	3.529	0	50	BHAA	
CCC(=O)c1ccc(N2CCCCCC2)c(F)c1	269015	FWEPWVLEYFZGBQ-UHFFFAOYSA-N	249.329	3.799	0	50	BHAA	
Cc1ccnc(Sc2ncccc2Cl)c1	335079	OXOQNNWMWUFUMQ-UHFFFAOYSA-N	236.727	3.590	0	50	BHAA	
Cc1cc(C)c(NC(=O)CC(C)C)c(Cl)c1	11990452	OZYLNUGAJPSXTH-UHFFFAOYSA-N	239.746	3.941	0	50	BHAA	
CC(=O)C[C@H](C)SCc1ccc(Cl)cc1	159113025	BISPBSNTHFVOJW-JTQLQIEISA-N	242.771	3.941	0	50	BHAA	
c1ccc2c(c1)CCN([C@H]1CCc3ccccc31)C2	225417810	DTWORJYPULNCJR-SFHVURJKSA-N	249.357	3.732	0	50	BHAA	
COc1ccc(C(=O)c2ccccc2)cc1Cl	346031	IGNLOYXQTDSIAQ-UHFFFAOYSA-N	246.693	3.580	0	50	BHAA	
Cc1ccc(NCc2ccc(O)cc2)cc1C	397730	ZRCLGRPWOTXFLO-UHFFFAOYSA-N	227.307	3.621	0	50	BHAA	
CC(C)(C)c1ccc(C=O)c(Br)c1	21987080	WVCSDKHZXVXDMV-UHFFFAOYSA-N	241.128	3.559	0	50	BHAA	
Cc1nc(-c2c(C)[nH]c3ccccc23)cs1	285831	DKSNBEKKVJAXRR-UHFFFAOYSA-N	228.320	3.908	0	50	BHAA	
Cc1ccc(NC(=O)NC2CCCCC2)cc1C	395280	JTALIXBIKQUNSF-UHFFFAOYSA-N	246.354	3.758	0	50	BHAA	
Cc1[nH]c2c(C)cccc2c(=S)c1C	65362862	NQNXLUJYNSTVNB-UHFFFAOYSA-N	203.310	3.823	0	50	BHAA	
Fc1ccccc1OCc1cnc(Cl)s1	86777212	UIHGYOCPKVHGOE-UHFFFAOYSA-N	243.690	3.515	0	50	BHAA	
CC(F)(F)c1cc(F)cc(Br)c1	143667075	DRKGWPCEPAJOHZ-UHFFFAOYSA-N	239.034	3.700	0	50	BHAA	
Cc1ccc2sc(SCCF)nc2c1	150037896	FWGBBVAZBPFKDF-UHFFFAOYSA-N	227.329	3.666	0	50	BHAA	
CCN(CC)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1	170620571	UQTSAPHDPNZMBU-QWHCGFSZSA-N	239.403	3.707	0	50	BHAA	
Cc1ccc(-c2cnc3ccc(F)cc3c2)cn1	426535682	IZWPQOBFPZPMJQ-UHFFFAOYSA-N	238.265	3.744	0	50	BHAA	
Cc1nc2cc(-c3ccncc3F)ccc2s1	1241226910	QCNWHAUPBPKXNE-UHFFFAOYSA-N	244.294	3.806	0	50	BHAA	
C[C@@H]1CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C	1233809	QTLDMKVNVOUSIV-OSMZGAPFSA-N	232.323	3.714	0	50	BHAA	biogenic
CC(C)(C)OC(=O)Nc1cccc(Cl)c1	1640971	NHKRPSNCGCLFHJ-UHFFFAOYSA-N	227.691	3.687	0	50	BHAA	
Cc1cc(C)cc(OCCCCNC(C)(C)C)c1	2902817	WGVQUNMZRXYVDT-UHFFFAOYSA-N	249.398	3.851	0	50	BHAA	
CC(C)CCC[C@H](C)NC(=O)Cc1ccccc1	3308006	ODZLPBUMLCMIMI-AWEZNQCLSA-N	247.382	3.560	0	50	BHAA	
CCCCOc1cnc(Cl)c(Cl)c1	74937903	ISBKBHNNRGUINP-UHFFFAOYSA-N	220.099	3.567	0	50	BHAA	in-vitro
Cc1cc(C)cc(NC(=O)Cc2cccs2)c1	30440	IZNYZNHCBSPHJE-UHFFFAOYSA-N	245.347	3.546	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1cccc(Cl)c1	30884	PJWKQSPGIOENGT-VIFPVBQESA-N	225.719	3.715	0	50	BHAA	
Cc1cc(C)c2nc(-c3ccc(N)cc3)oc2c1	276291	OGMMERZSTYUSGW-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
Fc1ccc(Br)c2ccccc12	403985	VAUJZKBFENPOCH-UHFFFAOYSA-N	225.060	3.741	0	50	BHAA	biogenic,in-vitro
Cc1cc(C)cc(C(=O)N(C(C)C)C(C)C)c1	496644	BDRCYUTWQFVQJW-UHFFFAOYSA-N	233.355	3.562	0	50	BHAA	
CC[C@H](C)c1ccccc1OCCNC(C)C	3001775	AHPWWFGANJDJDG-ZDUSSCGKSA-N	235.371	3.577	0	50	BHAA	
O=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1	8729818	UDKIDYYYCVXONJ-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	
Brc1ccccc1-c1ccncc1	59522991	GZZVURXUOZUXDO-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
C[C@H]1[C@H](C)CCC[C@H]1NCc1cccs1	238854624	OOCOMBWGZIHIQR-NTZNESFSSA-N	223.385	3.662	0	50	BHAA	
Cc1cccc(NC(=O)N(C(C)C)C(C)C)c1	395286	PFYXEIUOIUMJSP-UHFFFAOYSA-N	234.343	3.646	0	50	BHAA	
CCCCCCNc1ccc(OC)cc1OC	3075590	NAGYXHOWLXFTCD-UHFFFAOYSA-N	237.343	3.696	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1C	29935	GRVRYMGAADCAAA-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CCc1ccccc1NC(=O)NC1CCCCC1	397043	ZUFAXYGISWKBNQ-UHFFFAOYSA-N	246.354	3.703	0	50	BHAA	aggregator
c1ccc(Nc2nccc3ccccc23)cc1	406447	IVKBQKXRJFEWRY-UHFFFAOYSA-N	220.275	3.978	0	50	BHAA	
CCN(CC)CCCCOc1ccc(C)cc1C	2494411	NSSUOMPVHDMIHF-UHFFFAOYSA-N	249.398	3.804	0	50	BHAA	
CCCCC[C@@H](C)NC(=O)c1ccccc1C	2513497	QOKZLYCJDYLZMB-CYBMUJFWSA-N	233.355	3.694	0	50	BHAA	
CCOC(=O)c1cccc(-c2ccccc2)c1	2567512	UWJOIAKPUPVYPW-UHFFFAOYSA-N	226.275	3.530	0	50	BHAA	in-vitro
CCCCCc1ccc(/C(C)=C/C(=O)O)cc1	5125487	CRVLBCGJELEIKF-VAWYXSNFSA-N	232.323	3.907	0	50	BHAA	
Brc1cccnc1-c1ccccc1	14982298	QODMOFYNGFSWSQ-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
CCCOc1cc(Cl)ccc1Cl	105655338	DGWFKKPIIMPNCH-UHFFFAOYSA-N	205.084	3.782	0	50	BHAA	
Cc1ccccc1Oc1cc(F)cc(F)c1N	132809142	ZWNULFNDNQEUQC-UHFFFAOYSA-N	235.233	3.648	0	50	BHAA	
CN(C)c1ccc(-c2ccc3ocnc3c2)cc1	1240914385	HGVLHDJPIFYTGO-UHFFFAOYSA-N	238.290	3.561	0	50	BHAA	
C(=C/c1cccc2[nH]ncc12)\c1ccccc1	1875263571	QKLLHUMUAYVOCQ-MDZDMXLPSA-N	220.275	3.733	0	50	BHAA	
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1	29633	RUYDNAMXAAGBCA-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CCO[C@@H](C(=O)c1ccccc1)c1ccccc1	42733	KMNCBSZOIQAUFX-MRXNPFEDSA-N	240.302	3.647	0	50	BHAA	in-vitro
Cc1ccc(NCCC(=O)c2ccc(C)o2)cc1	446385	LGCGJYJJZMZAQM-UHFFFAOYSA-N	243.306	3.581	0	50	BHAA	
CCCCn1c(C)c(C(C)=O)c2cc(O)ccc21	1830188	IKDHTRJHHYORLQ-UHFFFAOYSA-N	245.322	3.658	0	50	BHAA	
Cc1ccc(C)c(OCCCN2CCCCC2)c1	2894877	XWNYGHYOWDJWBH-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Cc1c(C(C)C)sc(-n2cccc2)c1C(=O)O	12404871	OWLWEMBSINVAHN-UHFFFAOYSA-N	249.335	3.669	0	50	BHAA	
Cc1cc(S)c(Cl)c(Br)c1	67796558	PWXNFOYQUNNEGS-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
CCOc1ccc(Cl)c(F)c1Cl	261493476	BWQAYFNMYFXXGB-UHFFFAOYSA-N	209.047	3.531	0	50	BHAA	
Cc1ccc(-c2cccc(O)c2F)cc1F	725270040	CZRCLFOBBHCRFQ-UHFFFAOYSA-N	220.218	3.646	0	50	BHAA	
C=CC(=O)N1CCCCC[C@@H]1c1cccc(C)c1	848979367	UVMYZPSYZASUJY-OAHLLOKOSA-N	243.350	3.625	0	50	BHAA	
CCCC(=O)[C@@H](CC)Sc1ccoc1C	2000964	GFRRQSASJZMMJC-LLVKDONJSA-N	226.341	3.828	0	50	BHAA	endogenous,in-man
Clc1ccc([C@@H]2CCCCN2)c(Cl)c1	3734671	YHDPNUBWYAFEEQ-NSHDSACASA-N	230.138	3.808	0	50	BHAA	in-vitro
COC(=O)c1cccc(-c2ccccc2C)c1C	95495508	LHDJDKYCEOXUDL-UHFFFAOYSA-N	240.302	3.757	0	50	BHAA	
c1ccc(-c2cnc(-c3ccccc3)nc2)cc1	209723	HEYRZXKTUUUXKL-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	aggregator
CCOc1cccnc1Sc1ccccc1	331425	LGOBXVNKDRLIAO-UHFFFAOYSA-N	231.320	3.632	0	50	BHAA	
Cc1occc1C(=O)Nc1ccc(C(C)C)cc1	484396	FDGOJOFSWBFBJH-UHFFFAOYSA-N	243.306	3.964	0	50	BHAA	
Cc1cc(C)cc(Oc2ccccc2CO)c1	5724871	NYGFBJCVDKYETM-UHFFFAOYSA-N	228.291	3.588	0	50	BHAA	
CCOc1ccc(Br)cc1Cl	71779398	JMGHGJRBIZDABO-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	in-vitro
Clc1c(Br)ccc2[nH]ccc12	115152227	JMHJTELEAIHBJT-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	
CCCCCOc1ncc(C)cc1Cl	261493722	HVKJMDTWGJJAKO-UHFFFAOYSA-N	213.708	3.612	0	50	BHAA	
Cc1cc(C)cc(NC(=O)c2cccc(F)c2)c1	362367	JBXZBLMJIZJZNX-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1cccc(C)c1NC(=O)N1CCCC[C@H]1C	400231	PHXOIHZDCXNJNG-CYBMUJFWSA-N	246.354	3.710	0	50	BHAA	
C[C@H](c1ccccc1)[C@@H](OC=O)c1ccccc1	409747	VYNGOGJIFUEHLX-CZUORRHYSA-N	240.302	3.704	0	50	BHAA	
O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F	2378577	DZDSQRPDUCSOQV-UHFFFAOYSA-N	243.011	3.738	0	50	BHAA	
COc1ccc(Cl)c(F)c1OCC(C)C	261493831	KDRPWSVSMPCSER-UHFFFAOYSA-N	232.682	3.523	0	50	BHAA	
O=Cc1ccc(Oc2ccc(Cl)cc2)cc1	2382448	BLCXBCYVCDPFEU-UHFFFAOYSA-N	232.666	3.945	0	50	BHAA	in-vitro
CCCC/C(=C/C(=O)OCC)c1ccccc1	4773803	YNPRWNBUAVKRDJ-OWBHPGMISA-N	232.323	3.823	0	50	BHAA	
Cc1cc(C(F)(F)F)ccc1Br	63148520	NXHNLJDFFBZSKJ-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
Cc1ccncc1-c1ccc(F)cc1Cl	67833360	USUNZGCNWZJHCN-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
Cc1ccc(Cl)c2c1c(C=O)cn2C1CC1	140782959	BGSPIWRESGVHGR-UHFFFAOYSA-N	233.698	3.751	0	50	BHAA	
CC(C)c1nc(Cl)cc(C2CCC2)n1	238161850	FILIUWPPQAVSLA-UHFFFAOYSA-N	210.708	3.521	0	50	BHAA	
O=C([C@@H]1CC=CCC1)N1CCC[C@@H]2CCCC[C@H]21	249321100	LJKOXWQCEZCOGD-RRFJBIMHSA-N	247.382	3.524	0	50	BHAA	
CC(C)CN(CC(C)C)C(=O)Nc1ccccc1	286941	WFEWIENMTHORKY-UHFFFAOYSA-N	248.370	3.833	0	50	BHAA	biogenic
O[C@@H](c1ccccc1)c1ccc(Cl)c(F)c1	4242475	IHXGOBHUOPVANK-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	
COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1	5818450	BSPXLUNXIPOSMM-UHFFFAOYSA-N	238.290	3.547	0	50	BHAA	
CCCn1c([C@H](C)CC)nc2ccccc21	40417432	IARFTRLCRQXGBN-LLVKDONJSA-N	216.328	3.960	0	50	BHAA	
CC[C@](C)(O)c1ccc(Cl)c(Cl)c1	53146734	SZFLMSXKIZPHKN-JTQLQIEISA-N	219.111	3.611	0	50	BHAA	
Fc1ccc(CC2CCN(C3CCC3)CC2)cc1	200527007	OUVYIVBIYIKGJH-UHFFFAOYSA-N	247.357	3.633	0	50	BHAA	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccsc1	246426658	SMXXFNWEYQMNGI-NQBHXWOUSA-N	249.379	3.541	0	50	BHAA	
CCOc1cc(Cl)c(F)c(C(F)(F)F)c1	261494175	RMCUDVWYKOJRFL-UHFFFAOYSA-N	242.599	3.897	0	50	BHAA	
O=c1oc(-c2ccccc2)c(-c2ccccc2)o1	120139	SROHGOJDCAODGI-UHFFFAOYSA-N	238.242	3.567	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)C1CCCCC1	409057	WGUWTOYIQWKLDD-UHFFFAOYSA-N	237.730	3.859	0	50	BHAA	
Fc1cc(Br)c(Cl)c(F)c1F	2545215	QVKOVRVAPIYNAL-UHFFFAOYSA-N	245.425	3.520	0	50	BHAA	
Cc1cc(S)cc(Cl)c1Br	71792238	VTGUHJSCEYLLHH-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
CC(=O)C[C@@H](C)SCc1ccc(Cl)cc1	159113157	BISPBSNTHFVOJW-SNVBAGLBSA-N	242.771	3.941	0	50	BHAA	
COc1cnccc1-c1c[nH]c2ccc(C)cc12	2356148604	IKZCKKQQGSLXFU-UHFFFAOYSA-N	238.290	3.547	0	50	BHAA	
CC(=O)c1cc(F)c(N2CCCCCC2)cc1C	139863	AZXXKGBOUGGAIG-UHFFFAOYSA-N	249.329	3.717	0	50	BHAA	
Cc1ccc(C(=O)c2ccccc2)c(C)c1	1081516	UYSQHMXRROFKRN-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	in-vitro
CCCC(=O)[C@H](CC)Sc1ccoc1C	2000965	GFRRQSASJZMMJC-NSHDSACASA-N	226.341	3.828	0	50	BHAA	endogenous,in-man
CCN(CC)CCCCCOc1ccccc1C	2496715	IPTVSYDKZYAXAR-UHFFFAOYSA-N	249.398	3.886	0	50	BHAA	
CCCCC(=O)Nc1ccc(Cl)cc1F	2757246	RCMJMXXPOXTHII-UHFFFAOYSA-N	229.682	3.608	0	50	BHAA	
Cc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1	8579163	SWRQHHJAXCNFGU-UHFFFAOYSA-N	235.286	3.504	0	50	BHAA	in-vitro
O=C(NC1CCCC1)c1csc2ccccc12	13329246	MRBWTYBAFKHHQK-UHFFFAOYSA-N	245.347	3.574	0	50	BHAA	
Sc1c(Cl)cc(Cl)cc1Cl	14769784	OOXQIHPXUMNXJZ-UHFFFAOYSA-N	213.516	3.936	0	50	BHAA	in-vitro
Cc1c(Br)csc1C(F)(F)F	409444116	FIRLWDRJRVHSJX-UHFFFAOYSA-N	245.063	3.838	0	50	BHAA	
Cc1ccc(CCSc2ccccc2)cn1	270980	IRZJERJSSYTSQX-UHFFFAOYSA-N	229.348	3.725	0	50	BHAA	
Brc1cccc2sccc12	8700543	QPBSEYFVZDMBFW-UHFFFAOYSA-N	213.099	3.664	0	50	BHAA	in-vitro
CSc1ccc2c(C)cc(Cl)nc2c1	19093660	RUYYKVHMGWOUCK-UHFFFAOYSA-N	223.728	3.919	0	50	BHAA	in-vitro
Cc1cc(F)c(Cl)cc1Br	67794473	QFIDNOZNUSQTAE-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CCCC[C@H](C(=O)c1ccccc1)N1CCCC1	299817193	KYIJLDDXQWBNGX-OAHLLOKOSA-N	245.366	3.524	0	50	BHAA	in-vitro
C[C@@H]1CCCC[C@H]1Oc1ccccc1CCCO	584907141	DPLPACOUWRVFGN-UKRRQHHQSA-N	248.366	3.569	0	50	BHAA	
Cc1cccc(NC(=O)OCc2ccco2)c1C	397234	DZYLLDRRLPLXBR-UHFFFAOYSA-N	245.278	3.645	0	50	BHAA	
CCCCOc1cccc(Br)c1	19806507	ATFKAEIPFYHIRS-UHFFFAOYSA-N	229.117	3.628	0	50	BHAA	
Nc1nc2c(-c3ccccc3)cccc2s1	20432685	SIVSDUVSMURHKT-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	
CC[C@H]1CCCCN1Cc1ccc(OC)c(C)c1	279401	PMUOMFGRPVAPMX-HNNXBMFYSA-N	247.382	3.768	0	50	BHAA	
Cc1ccc2oc(-c3ccc(N)c(C)c3)nc2c1	344745	USNUQFSZYXTEED-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc2[nH]ccc2c1	2527026	VGVLKMYJBZYCIS-UHFFFAOYSA-N	232.283	3.515	0	50	BHAA	in-vitro
Cc1ccc(Oc2ccc(C=O)cc2)cc1C	8550738	LVEQYFHOJSJFCJ-UHFFFAOYSA-N	226.275	3.908	0	50	BHAA	in-vitro
C[C@@H](c1cccc(-c2ncccc2F)c1)N(C)C	65395455	RZXABPBHWNCKSN-NSHDSACASA-N	244.313	3.510	0	50	BHAA	
Cc1ncc(C)c(-c2cc3ccccc3o2)n1	67983277	LDMXNTONCUXQOH-UHFFFAOYSA-N	224.263	3.507	0	50	BHAA	
Fc1ccc([C@H]2CCN(CC3CCCC3)C2)cc1	97425546	JJUDALMSKMJRTE-HNNXBMFYSA-N	247.357	3.805	0	50	BHAA	
CC(C)NC(=O)Nc1cc(Cl)ccc1Cl	395453	RNEFGAIQYYBVIH-UHFFFAOYSA-N	247.125	3.523	0	50	BHAA	
CCCOC(=O)Nc1ccc(C)c(Cl)c1	2171281	BHPZTXFUDYZONF-UHFFFAOYSA-N	227.691	3.607	0	50	BHAA	
Cc1ccc(C(F)(F)F)cc1Br	2382282	TWWUWLMGYSLODU-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	biogenic,in-vitro
O=C(c1c(Cl)cccc1Cl)C1CC1	168623336	DWAMSGJRCLTENE-UHFFFAOYSA-N	215.079	3.586	0	50	BHAA	in-vitro
CCc1cccc(NC(=O)c2cccs2)c1	312087	VCYXMCFKTCIPRD-UHFFFAOYSA-N	231.320	3.563	0	50	BHAA	
CCOP(=O)(Cc1ccc(F)cc1)OCC	34147463	FIYRZOAUPPNGAO-UHFFFAOYSA-N	246.218	3.592	0	50	BHAA	in-vitro
COc1cc(NCc2ccsc2)ccc1F	162859692	RECPPZKGJSGUJZ-UHFFFAOYSA-N	237.299	3.508	0	50	BHAA	
Oc1ccc(CSC2CCCC2)cc1	261493420	AQRDCLDWAVDQKL-UHFFFAOYSA-N	208.326	3.568	0	50	BHAA	
COc1ccc2nc(C)c3c(c2c1)S[C@H](C)C3	290700	ULOVXTCIGNRESU-MRVPVSSYSA-N	245.347	3.589	0	50	BHAA	
CCSc1cnc(-c2ccccc2)n1CC	396022	RMVUPVKSDLWVKP-UHFFFAOYSA-N	232.352	3.682	0	50	BHAA	
Cc1ccc(/C=C2/SC(=S)N=C2O)c(C)c1	2536911	FVAZWQJWDBXJSC-UXBLZVDNSA-N	249.360	3.633	0	50	BHAA	
CCNCc1ccc(-c2ccc(Cl)cc2)o1	4998567	YYYLGDSBLBDEIY-UHFFFAOYSA-N	235.714	3.710	0	50	BHAA	
Fc1ccc(-c2noc(-c3cccs3)n2)cc1	6702451	YPLJKOQZBGOIJR-UHFFFAOYSA-N	246.266	3.604	0	50	BHAA	
Cc1ccc(C)c(C(=O)N(C)c2ccccc2)c1	46469325	HDHUHVUDUFOHCQ-UHFFFAOYSA-N	239.318	3.580	0	50	BHAA	
CCn1nc(C2CC2)nc1C1CCCCCC1	670440779	UNHNOXRQTWFVKR-UHFFFAOYSA-N	233.359	3.613	0	50	BHAA	
Cc1ccc2[nH]c3c(c2c1)SC(C)(C)CC3=O	172929	AWKAFNNKNRCFAA-UHFFFAOYSA-N	245.347	3.933	0	50	BHAA	
C[C@H]1CC2(CCCCC2)[N+]([O-])=Cc2ccccc21	333270	ARBPNYCSPXVPRZ-ZDUSSCGKSA-N	243.350	3.826	0	50	BHAA	
Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C	6725661	LUDSGWSRADYFNT-TZMCWYRMSA-N	246.354	3.695	0	50	BHAA	
COC(=O)c1ccc(-c2cccc(F)c2)c(C)c1	97757125	UYKBMRZLWCXVNE-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1sccc1-c1cccc(O)c1F	725269988	AYXPDBZPJYEJGZ-UHFFFAOYSA-N	208.257	3.568	0	50	BHAA	
Cn1cc(C(=O)Cc2ccccc2)c2ccccc21	54759	GCAICKMEZCUWNK-UHFFFAOYSA-N	249.313	3.604	0	50	BHAA	
COc1ccccc1CNc1cc(C)cc(C)c1	263784	IHGSZQWULHXBAS-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
CSc1ccc([C@@H](O)c2ccc(F)cc2)cc1	4255979	LDKVLIOZSUOIRZ-AWEZNQCLSA-N	248.322	3.629	0	50	BHAA	
CC[C@H](O)CC[C@]1(C)CC[C@@H](C)C[C@H]1C	245312882	YKHBDWNQEULVTF-MQYQWHSLSA-N	212.377	4.000	0	50	BHAA	
COc1ccc(Cl)c(OC(F)F)c1Cl	263624866	UUSGUEMCPUXFIV-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
C[C@H]1CC[C@@H](C(C)(C)O)CC2=C1CC[C@@H]2C	1996067	TWVJWDMOZJXUID-SDDRHHMPSA-N	222.372	3.920	0	50	BHAA	biogenic,in-vitro
CCCCc1ccc([C@@H]2C[C@H]2C(=O)OCC)cc1	2731935	DAKCGYYTKMEBBB-LSDHHAIUSA-N	246.350	3.696	0	50	BHAA	
CCCC[n+]1ccccc1CCc1ccccc1	2810098	PYLKAXSKUPZEHV-UHFFFAOYSA-N	240.370	3.559	0	50	BHAA	
CCC(=O)O[C@@H](C)[C@H](CC)c1ccccc1	3137282	OASFSUPPTYRXOE-AAEUAGOBSA-N	220.312	3.522	0	50	BHAA	
NCCC[C@H](Oc1ccccc1)c1ccccc1	33469430	ABYSKMBKHNEEFQ-INIZCTEOSA-N	241.334	3.546	0	50	BHAA	
Cc1ccc2cc(Br)cc(C)c2n1	36075667	RZJSSQBKYWNNAW-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	in-vitro
CC(C)=CC(=O)Nc1ccccc1C(F)(F)F	145688	KDHZIKNJIFJKGJ-UHFFFAOYSA-N	243.228	3.610	0	50	BHAA	
c1nc(C23CC4CC(CC(C4)C2)C3)cs1	4031873	FEEKMNKFGWVFHN-UHFFFAOYSA-N	219.353	3.611	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)N2CCC(C)CC2)c1C	6726623	LBMDYZDFNKOUAQ-UHFFFAOYSA-N	246.354	3.567	0	50	BHAA	
COc1cnc(Cl)c2cc(Cl)ccc12	95708159	HOBCGPSQZNVUSJ-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	in-vitro
CC(C)(C)NC(=O)c1ccc(Cl)cc1Cl	407542	OFYMPLOWRZYCTN-UHFFFAOYSA-N	246.137	3.522	0	50	BHAA	
CCCCCOc1ccc(Cl)cc1C=O	2558313	CHJJJWLNRWOAJS-UHFFFAOYSA-N	226.703	3.722	0	50	BHAA	
CCCNCc1ccc(OC2CCCC2)cc1	4857957	NAHVXQPEJIMNFE-UHFFFAOYSA-N	233.355	3.508	0	50	BHAA	
Cc1ccn2c(N=O)c(-c3ccccc3)nc2c1	5479113	BQXJKMUOAGHTFY-UHFFFAOYSA-N	237.262	3.708	0	50	BHAA	
O=Cc1ccccc1OCc1ccc(Cl)cc1	65193	AKOPNWAGXMASTH-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
CCc1cccc(NC(=O)c2ccc(F)cc2)c1	369220	KAQZMGJIZWJTPK-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
c1ccc2c(c1)NCCc1c-2[nH]c2ccccc12	401198	RGMNDZJGDBENRC-UHFFFAOYSA-N	234.302	3.803	0	50	BHAA	
Cc1cc(O)c(C)c(C)c1OCc1ccccc1	408151	HARBYIUXNNCKAN-UHFFFAOYSA-N	242.318	3.896	0	50	BHAA	
O=C(O)c1ccc(CSc2ccccc2)cc1	444231	PPCGTVWKHISHFJ-UHFFFAOYSA-N	244.315	3.677	0	50	BHAA	
Cc1c(Br)cccc1Br	2011444	OCSKCBIGEMSDIS-UHFFFAOYSA-N	249.933	3.520	0	50	BHAA	in-vitro
CCCCN(CCCC)c1cccc(O)c1	2504740	KHSTZMGCKHBFJX-UHFFFAOYSA-N	221.344	3.799	0	50	BHAA	in-vitro
CCC[C@@H](C)C(=O)N(CC)c1ccccc1C	2739484	HETUAMPTNMGJGD-CYBMUJFWSA-N	233.355	3.784	0	50	BHAA	
Cc1ccc(-c2ccc(O)cc2)cc1F	65339948	XVZNGVKCUOUMSI-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
[C-]#[N+]c1ccc(OCc2ccccc2)cc1	95698375	MOIWVJYGBWLIEW-UHFFFAOYSA-N	209.248	3.816	0	50	BHAA	in-vitro
CCc1sc2sncc2c1Br	42373	JZEJGSUANNDVAT-UHFFFAOYSA-N	248.170	3.683	0	50	BHAA	
Cc1ccccc1NC(=O)c1ccccc1Cl	126119	AKDQLCZFOLMOLB-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CC[C@@H](C(=O)N1CCCC[C@H]1C)c1ccccc1	444021	IGSQQCDDDKDUEQ-UKRRQHHQSA-N	245.366	3.581	0	50	BHAA	
COc1cccc(CNC2CCCCCC2)c1	4685501	HPNXXRIVYAOFFC-UHFFFAOYSA-N	233.355	3.508	0	50	BHAA	
CC[C@H](NC(=O)c1cccs1)c1ccccc1	6731125	OKGFKSVKGOXUNO-LBPRGKRZSA-N	245.347	3.629	0	50	BHAA	
CCc1ccccc1NC(=O)N[C@H](C)C(C)(C)C	13323621	ORVSYUBOOWVTPM-LLVKDONJSA-N	248.370	3.805	0	50	BHAA	
Clc1ccc2nccc(Br)c2c1	26507943	FEBLUGZKVJAOLT-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
C[C@@H]1C[C@]2(C)Oc3ccccc3[C@H]3OC[C@H]1C[C@H]32	100561587	VNZLCOOICNIDQE-GUEXDDAASA-N	244.334	3.571	0	50	BHAA	
CC1=C[C@H](C)[C@@H](CNCc2ccco2)[C@@H](C)C1	226152347	YHIFVIYJGMJLIA-KCQAQPDRSA-N	233.355	3.608	0	50	BHAA	
Cc1ccc(-c2cccc(CN3CC[C@@H]3C)c2)o1	825197799	FKUCJLDTISZLEP-LBPRGKRZSA-N	241.334	3.849	0	50	BHAA	
O=Cc1ccc(OCc2ccccc2)c(Cl)c1	163308	XFPGRCKILOWFOL-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
Cc1ccc(C)c(NC(=O)OC2CCCC2)c1	400215	SZUSYNHIRGHCEM-UHFFFAOYSA-N	233.311	3.795	0	50	BHAA	
Cc1ccc(NC(=O)CC2CCCC2)cc1	17154661	NQKQSQAWEHKGPQ-UHFFFAOYSA-N	217.312	3.514	0	50	BHAA	
COc1cccc(CNc2ccc(C)c(C)c2)c1	275592	FJSYAYYCHDJPNW-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
COc1cccc(C(=O)c2cccc(Cl)c2)c1	2574649	LBADCHNQRBNLEH-UHFFFAOYSA-N	246.693	3.580	0	50	BHAA	
CCCCCOc1ccc(Cl)cc1C(=O)O	2584159	ISNNBBUUAKKBHA-UHFFFAOYSA-N	242.702	3.607	0	50	BHAA	
Cc1cccc(NC(=O)N2[C@@H](C)CCC[C@@H]2C)c1	6698857	FPLNYUWNFGVJGF-STQMWFEESA-N	246.354	3.790	0	50	BHAA	
c1ccc(COc2ccc3cccnc3c2)cc1	33753278	SIDLHXXVIBTSJZ-UHFFFAOYSA-N	235.286	3.814	0	50	BHAA	
FC(F)(F)c1cc(Cl)cc2cccnc12	38537146	OZRDWVIFEHZWCL-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
CC1=CCCC(C(=O)O)=C[C@@H]2[C@H](CC1)C2(C)C	299811856	BBGNZFMMXLMZRC-QWHCGFSZSA-N	234.339	3.790	0	50	BHAA	
Oc1ccc(-c2cc3cccnc3cc2F)cc1	1241062634	QQSBCSXQYRKBQB-UHFFFAOYSA-N	239.249	3.747	0	50	BHAA	
CCC/C(=C\c1ccc(Cl)cc1)C(=O)O	4528917	VAJBWUCNVWZFHF-CSKARUKUSA-N	224.687	3.608	0	50	BHAA	
COc1ccc(O[C@@H](C)c2ccccc2)cc1	4558272	OHKJTDCMSYRPJK-LBPRGKRZSA-N	228.291	3.835	0	50	BHAA	
Cc1ccc(C(=O)N2CCCCCCC2)cc1C	6730450	MTHOIVVKZHHYIK-UHFFFAOYSA-N	245.366	3.710	0	50	BHAA	
Cc1cc(C)c([S@@](=O)c2ccccc2)c(C)c1	44139397	NPTGGTKSCLGSSS-QGZVFWFLSA-N	244.359	3.779	0	50	BHAA	in-vitro
Cc1ccc(-c2cccc(N)c2)cc1Cl	74937824	FLQKPXLFFIQNGD-UHFFFAOYSA-N	217.699	3.898	0	50	BHAA	
O=C(O)[C@@H](CC=C(Cl)Cl)c1ccccc1	403334856	DVTZYKAMFYBUKV-VIFPVBQESA-N	245.105	3.564	0	50	BHAA	
Cc1cc(C)cc(-c2ccc(C(=O)O)c(C)c2)c1	575449250	RSORKAOOFDZGTI-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	
Cc1cccc(C)c1NC(=O)c1cccs1	484760	JKMGXSAANJKKIH-UHFFFAOYSA-N	231.320	3.617	0	50	BHAA	
CC1(C)C(c2ccccc2)=NN=C1c1ccccc1	1711617	LYRPGZWRXNELOP-UHFFFAOYSA-N	248.329	3.920	0	50	BHAA	
Cc1cccc(C(=O)c2ccc(Cl)cc2)c1	4242625	QNLZAQKYBMIIPN-UHFFFAOYSA-N	230.694	3.879	0	50	BHAA	
Fc1cc(Cl)ccc1CC(F)(F)F	67794640	RRVLPECOHSARMT-UHFFFAOYSA-N	212.573	3.584	0	50	BHAA	
CCCC(=O)Nc1ccc2ccccc2c1	398606	ZAKNXUSPSUTULS-UHFFFAOYSA-N	213.280	3.578	0	50	BHAA	
Cc1ccc(CCSc2ccc(F)cc2)cn1	2472067	OKAONPYMGBATSB-UHFFFAOYSA-N	247.338	3.864	0	50	BHAA	
C(=C/c1nc2ccccc2[nH]1)\c1ccccc1	3876593	QQLPPRIZUPEKMV-ZHACJKMWSA-N	220.275	3.733	0	50	BHAA	in-vitro
O=C1CCSc2c1ccc1ccccc21	4826725	OKEZXNVTIJMUQU-UHFFFAOYSA-N	214.289	3.518	0	50	BHAA	
CC(C)CN(CC(C)C)c1ccccc1	33762854	LMOOEMRNWCISOX-UHFFFAOYSA-N	205.345	3.805	0	50	BHAA	
CSc1cccc(-c2ccc(C(C)=O)s2)n1	426388416	OFUQQCIHZOOYJK-UHFFFAOYSA-N	249.360	3.735	0	50	BHAA	
Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1	117549	MRIBPIAKCVDXLY-UHFFFAOYSA-N	230.694	3.879	0	50	BHAA	in-vitro
Clc1ccc(-c2nc3ccccc3[nH]2)cc1	226009	PTXUJRTVWRYYTE-UHFFFAOYSA-N	228.682	3.883	0	50	BHAA	in-vitro
CCN(CC)c1ccc(-c2ccccn2)cc1	400144	SAQPQTKYCWAAMJ-UHFFFAOYSA-N	226.323	3.595	0	50	BHAA	
CCC(=O)Nc1ccccc1Oc1ccccc1	474852	FIOZJHQKCLUYPF-UHFFFAOYSA-N	241.290	3.827	0	50	BHAA	
CCCCNCCCOc1c(C)cc(C)cc1C	2897954	NOAYZDPXAWNDRM-UHFFFAOYSA-N	249.398	3.770	0	50	BHAA	
COc1ccc(CNc2ccc(F)c(F)c2)cc1	19918066	NWUFSYNTAPDZJY-UHFFFAOYSA-N	249.260	3.586	0	50	BHAA	
O=C(O)c1c(Cl)cccc1-c1ccccc1	38844211	OWQFUZVFXVZJFE-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
CC(C)(C)c1cc(C=O)c(N)c(C(C)(C)C)c1	220445163	OBOCJRZPVBLYJE-UHFFFAOYSA-N	233.355	3.676	0	50	BHAA	
COc1c(C(C)C)cc(NC(C)=O)cc1C(C)C	90679	NHKDNNJILNMIFC-UHFFFAOYSA-N	249.354	3.900	0	50	BHAA	
Cc1nc2ccccc2nc1-c1cccs1	129221	ZXZRMFGGDBQQRR-UHFFFAOYSA-N	226.304	3.667	0	50	BHAA	
CCCc1sc(N)nc1-c1ccc(C)cc1	304917	BFIWRBLVPZXIAN-UHFFFAOYSA-N	232.352	3.653	0	50	BHAA	
Clc1ccc2nc(-c3ccccc3)cn2c1	71129	ROYBUECMVNTZLP-UHFFFAOYSA-N	228.682	3.655	0	50	BHAA	
CCCN(CCC)C(=S)Nc1ccccc1	270499	KDZPENUZEKSMDE-UHFFFAOYSA-N	236.384	3.505	0	50	BHAA	
CCSc1ccc2cc(C)ccc2[n+]1CC	402519	SOVLBOMQTPNGBI-UHFFFAOYSA-N	232.372	3.568	0	50	BHAA	
c1c[n+](C2CCCCC2)cn1C1CCCCC1	2540593	OTZSBKIHBGXKOY-UHFFFAOYSA-N	233.379	3.786	0	50	BHAA	in-vitro
Cc1ccc(C(=O)c2ccc(C)cc2)cc1	2566122	ZWPWLKXZYNXATK-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	
Fc1ccc(NCc2ccco2)cc1Cl	4989345	QQVZNBIDRWSYPW-UHFFFAOYSA-N	225.650	3.684	0	50	BHAA	
O=C(Nc1ccccc1)[C@H]1[C@H]2CCCCC=C[C@@H]21	5101738	QAUWUDWLPNVUBH-SOUVJXGZSA-N	241.334	3.618	0	50	BHAA	
CC(C)CCSc1ccccc1C(=O)O	6883439	UACLGFBCPUCMFP-UHFFFAOYSA-N	224.325	3.523	0	50	BHAA	
C=Cc1ccc(F)c(C(F)(F)F)c1F	91251929	HCEKLZUWPVOJJQ-UHFFFAOYSA-N	208.129	3.627	0	50	BHAA	in-vitro
c1ccc2c(c1)C[C@@H]1[C@H]3O[C@@H](c4ccccc43)[C@@H]1C2	104229031	JAPYNJXJPWUCEV-MHORFTMASA-N	248.325	3.844	0	50	BHAA	
CC[C@@H](C)NCc1ccc(Cl)c(C)c1	125466882	OAIALCASOUFOIO-SNVBAGLBSA-N	211.736	3.537	0	50	BHAA	
CCC(=O)c1ccc(O)c(-c2ccccc2)c1	129735201	VIYVUONLZIOXJN-UHFFFAOYSA-N	226.275	3.652	0	50	BHAA	
Cc1c(-c2csc(N)n2)oc2ccc(F)cc12	1481526951	DTDNGFUTVZMMPU-UHFFFAOYSA-N	248.282	3.586	0	50	BHAA	
Clc1ccc(C(Cl)(Cl)Cl)cn1	226188	VLJIVLGVKMTBOD-UHFFFAOYSA-N	230.909	3.562	0	50	BHAA	
c1ccc([C@H]2COC[C@@H]2c2ccccc2)cc1	1664208	BQRJKBFGRQFFMF-HZPDHXFCSA-N	224.303	3.584	0	50	BHAA	biogenic,in-vitro
Cc1cccn2cc(-c3ccc(Cl)cc3)nc12	2480731	AMPHJRFSHYVSDJ-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	biogenic
CC1(C)C[C@@]2(C)OC(=O)O[C@@]2(C)c2ccccc21	4717346	WEHIQXLVIKJUOY-CABCVRRESA-N	246.306	3.509	0	50	BHAA	
CCNCc1ccc(-c2cccc(Cl)c2)o1	4942891	UWYIIHVPIFARRT-UHFFFAOYSA-N	235.714	3.710	0	50	BHAA	
Cc1nccnc1-c1ccc(Cl)cc1Cl	65396640	MGXPCDHZUPEJLT-UHFFFAOYSA-N	239.105	3.759	0	50	BHAA	
O=Cc1cccc(OCc2ccc(Cl)cc2)c1	65195	SBIKVRRNAVDMQC-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
CC(=O)c1ccc(Br)c2ccccc12	1622183	CSVHMWORIJZGTJ-UHFFFAOYSA-N	249.107	3.805	0	50	BHAA	
CC(C)(C)c1cccc(C(C)(C)C)c1O	1681254	DKCPKDPYUFEZCP-UHFFFAOYSA-N	206.329	3.987	0	50	BHAA	biogenic,in-vivo
CO[C@@H]1c2ccccc2[C@@H]2c3ccccc3C[C@H]12	4799833	YVSWPWVLBDPPOL-YESZJQIVSA-N	236.314	3.692	0	50	BHAA	
Fc1cc(F)c2c(Cl)c(Cl)cnc2c1	41702428	WOYRCVMLXQNZSJ-UHFFFAOYSA-N	234.032	3.820	0	50	BHAA	in-vitro
FC(F)(F)CCc1nc2cc(Cl)ccc2[nH]1	55385664	MMYZZRHHDBFLRB-UHFFFAOYSA-N	248.635	3.711	0	50	BHAA	
Cc1csc(C(F)(F)F)c1Cl	67794638	VQXNGPZGAAPKIC-UHFFFAOYSA-N	200.612	3.729	0	50	BHAA	
Cc1ccc(Sc2ccc(N)cc2)cc1	170194	AJSXOVAGVRPACZ-UHFFFAOYSA-N	215.321	3.728	0	50	BHAA	
c1ccc(-c2cc3c4cccn4ccn3c2)cc1	270673	OJSXMKVRRMKMDM-UHFFFAOYSA-N	232.286	3.859	0	50	BHAA	
C[C@H](c1ccccc1)[C@@H](O)c1ccccc1	1720282	VNBGFQGEVUPRIW-IUODEOHRSA-N	212.292	3.524	0	50	BHAA	
CCCN(CCC)C(=O)Nc1ccc(CC)cc1	6730254	QWKDAPAXHGNDSC-UHFFFAOYSA-N	248.370	3.903	0	50	BHAA	
Cc1ccc(F)c2sc(Br)nc12	11920206	LRXXSJHRMSCSGX-UHFFFAOYSA-N	246.104	3.506	0	50	BHAA	in-vitro
Cc1ccc(-c2nnc(-c3occc3C)o2)cc1	12274776	JEKJNVNSQSTLEY-UHFFFAOYSA-N	240.262	3.613	0	50	BHAA	
Clc1ccc(CN2CCCC2)cc1Cl	14193451	WDZCZBAYSVRTKY-UHFFFAOYSA-N	230.138	3.589	0	50	BHAA	
C[C@@H]1C[C@H]2C[C@@]34C=CC[C@@H]3CC[C@H]4[C@@]2(C)C1=O	71786398	DWQHJENFMHTEFG-BVQXACOFSA-N	230.351	3.594	0	50	BHAA	
CC(C)Oc1ccc(Cl)cc1Cl	90413400	SKZUJEUNTYZIRO-UHFFFAOYSA-N	205.084	3.781	0	50	BHAA	
O=C(/C=C/c1ccco1)Oc1ccccc1Cl	70820	AEPPTDDUKBQBCX-BQYQJAHWSA-N	248.665	3.552	0	50	BHAA	
Cc1ccc([C@H](C)NCc2ccccc2)cc1	2575972	LCMHOUMRBZARCR-AWEZNQCLSA-N	225.335	3.846	0	50	BHAA	
O=C1CCCCc2ccc(cc2)CCCC1	4530396	UVPJGEQEAFTJNH-UHFFFAOYSA-N	216.324	3.695	0	50	BHAA	
FC(F)(F)c1sccc1Br	15442290	WAEYJGSTKDPCSW-UHFFFAOYSA-N	231.036	3.529	0	50	BHAA	in-vitro
CC[C@@](O)(c1ccc(Cl)cc1)C(C)C	37755273	URBZTJFYFKMWNO-LBPRGKRZSA-N	212.720	3.594	0	50	BHAA	
CC(C)(N)COc1ccc2ccccc2c1Cl	143354822	DQWVFDGWHHHOJY-UHFFFAOYSA-N	249.741	3.609	0	50	BHAA	
CCCN(CCC)C(=O)c1ccccc1Cl	29529	DYEHYKOHRTUEMT-UHFFFAOYSA-N	239.746	3.602	0	50	BHAA	
O=C1CCSc2ccc3ccccc3c21	53489	ZFGBYVYXAMNRCE-UHFFFAOYSA-N	214.289	3.518	0	50	BHAA	
COc1c(Cl)ccc(Cl)c1Cl	2005764	OTFNCXLUCRUNCH-UHFFFAOYSA-N	211.475	3.655	0	50	BHAA	
Cc1ccc(C(=O)c2ccc(F)c(F)c2)cc1	3668443	JMTNHBNSLSLHQI-UHFFFAOYSA-N	232.229	3.504	0	50	BHAA	
COc1ccc([C@@H]2Cc3ccccc3N2)cc1C	3715060	SOUWKRSQFUREFZ-HNNXBMFYSA-N	239.318	3.713	0	50	BHAA	in-vitro
CC(C)(C)OC(=N)CC(Cl)(Cl)Cl	5229850	XPCUHQWXLWXWNS-UHFFFAOYSA-N	232.538	3.539	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc(F)c(Cl)c1	7610508	KKHMVPYUCTZPEE-UHFFFAOYSA-N	245.681	3.826	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2)c(C)c1	557915	FQMUMJCNWMIVMU-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
Cc1cc(C(=O)Nc2cccc(Cl)c2)c(C)o1	9318952	YDAGKTKSJUWDDP-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)cc2)c(C)c1	38068712	AWHSTQFMFDLAFO-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
CCCCOc1cc(F)ccc1Br	74937755	HXDXLVKJJHIJTR-UHFFFAOYSA-N	247.107	3.767	0	50	BHAA	in-vitro
Cc1cc(O)c(C(=O)c2ccccc2)cc1Cl	58229	IOGQACQRFGDUPT-UHFFFAOYSA-N	246.693	3.585	0	50	BHAA	in-vitro
Cc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1	4663991	OPBSAVHQPYKEQP-UHFFFAOYSA-N	222.291	3.847	0	50	BHAA	
CCC[C@@H]1Nc2ccccc2[C@H]2OCCC[C@@H]12	136363676	URAWUVAUCHYFOU-KCQAQPDRSA-N	231.339	3.749	0	50	BHAA	
CCCCOc1cc(Cl)c(F)cc1F	261494023	OCKIZWHCGHPIQG-UHFFFAOYSA-N	220.646	3.797	0	50	BHAA	
Cc1ccc(NC(=O)CCC2CCCCC2)nc1	461643	GYADJTSOVUPDAS-UHFFFAOYSA-N	246.354	3.689	0	50	BHAA	
CCCCOc1ccccc1NC(=O)CCCC	1777622	UXWNCNAZHXLUPG-UHFFFAOYSA-N	249.354	3.994	0	50	BHAA	
CCCCNCCCCCOc1ccc(C)cc1	2902530	HATZPGXLPDDTQQ-UHFFFAOYSA-N	249.398	3.934	0	50	BHAA	
CCSc1cccc(Br)c1	30677815	DYKHQTGFDPTFQD-UHFFFAOYSA-N	217.131	3.561	0	50	BHAA	in-vitro
COc1ccc(-c2ccc(C)c(F)c2)cc1C=O	132000896	IRERTWGIXVJAMH-UHFFFAOYSA-N	244.265	3.622	0	50	BHAA	
C[C@H]1CCC[C@H](/C=C/Nc2cccc(F)c2)C1=O	1776111215	GWWOPNSQFMLRMU-VDTGWRSZSA-N	247.313	3.757	0	50	BHAA	
Fc1ccc(-c2cn3cc(Cl)ccc3n2)cc1	132919	BAMACVXNZHBYIR-UHFFFAOYSA-N	246.672	3.794	0	50	BHAA	
c1ccc([C@@H]2COC[C@H]2c2ccccc2)cc1	1664207	BQRJKBFGRQFFMF-HOTGVXAUSA-N	224.303	3.584	0	50	BHAA	biogenic,in-vitro
CCc1ccc(-c2cccc(C(=O)O)c2)cc1	20390986	CHQHBOMSKFIMJY-UHFFFAOYSA-N	226.275	3.614	0	50	BHAA	in-vitro
Cc1ncccc1-c1csc(C(C)C)n1	408518908	JJWCOXFBZBPBJV-UHFFFAOYSA-N	218.325	3.637	0	50	BHAA	
Cc1cc(C)c2c(C)cc(Cl)nc2c1	55002	LPTKXGDEXQXRMU-UHFFFAOYSA-N	205.688	3.813	0	50	BHAA	
CC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1	2242934	ZYJDCZQBRUWWOU-UHFFFAOYSA-N	245.244	3.690	0	50	BHAA	
CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1	6701302	YNHVADNXVKMBGP-LBPRGKRZSA-N	239.318	3.551	0	50	BHAA	
Nc1ccc2c(c1)Oc1ccccc1S2	71773698	HNCPPIFZZJBRSI-UHFFFAOYSA-N	215.277	3.526	0	50	BHAA	
CC(C)(C)OC(=O)Nc1cc2ccccc2o1	204647839	AKWKOAIDKNPCSS-UHFFFAOYSA-N	233.267	3.780	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CCCC[C@H]21	467245271	ZLCICHYECNOTGG-ITGUQSILSA-N	249.741	3.715	0	50	BHAA	
Cc1cc(C)cc(NC(=O)c2cccc(C)c2)c1	297264	KLZZKRUWHXMCFQ-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
O=C(OCC1CCCCC1)C1CCCCC1	1841140	XWINVLMFYISLRL-UHFFFAOYSA-N	224.344	3.690	0	50	BHAA	in-vitro
Cc1ccccc1NC(=O)OCc1ccccc1	472238	XHJLADWDZOROLZ-UHFFFAOYSA-N	241.290	3.744	0	50	BHAA	
Cc1cccc(OC(=O)/C=C/c2ccccc2)c1	510923	UOKXRJSJEVRPEX-ZHACJKMWSA-N	238.286	3.614	0	50	BHAA	
Cc1ccccc1NC(=O)N1[C@@H](C)CCC[C@H]1C	18007156	GPLJPVVSNMQVHK-BETUJISGSA-N	246.354	3.790	0	50	BHAA	
CCSc1ccccc1NC(=O)c1ccco1	33359608	PULNCQPKHJNDRA-UHFFFAOYSA-N	247.319	3.644	0	50	BHAA	
C[C@H](C(=O)O)c1cccc(Oc2ccccc2)c1	301	RDJGLLICXDHJDY-NSHDSACASA-N	242.274	3.667	0	50	BHAA	biogenic,fda
Cc1cccc(NC(=O)c2ccccc2Cl)c1	126121	QMUDBMHUUBUXHG-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
O=C(CC1CCCCC1)NC1CCCCCC1	859478	HVOOCVWPISEJFY-UHFFFAOYSA-N	237.387	3.796	0	50	BHAA	
Cc1ccc(-[n+]2c(C)cc(C)cc2C)c(C)c1	2519822	JMYFZIQNXJWGOZ-UHFFFAOYSA-N	226.343	3.505	0	50	BHAA	
CCCCC(=O)Nc1cccc2ccccc12	2847980	FOZJTWQCZFOTMH-UHFFFAOYSA-N	227.307	3.969	0	50	BHAA	
N=C1CCCN1c1c(Cl)cccc1Cl	19833996	UFJMRMLCJDRDRV-UHFFFAOYSA-N	229.110	3.571	0	50	BHAA	
CCCCOCN(CCCC)CCCC	44124530	JLSGWKHRBGZJAI-UHFFFAOYSA-N	215.381	3.663	0	50	BHAA	
C=C(NOCc1cccc2ccccc12)SC	71765892	SXKRCZKYTMUJRU-UHFFFAOYSA-N	245.347	3.695	0	50	BHAA	
FCCCCOc1ccc(Br)cc1	74938077	AOLMDZFMAHMJFL-UHFFFAOYSA-N	247.107	3.578	0	50	BHAA	
O=Cc1ccc(SC2CCCC2)cc1	82594002	OBQBKUFSLZFZEK-UHFFFAOYSA-N	206.310	3.534	0	50	BHAA	
CC(=O)c1ccccc1CC[Si](C)(C)C	195919221	XVRPYUOTXBEOLE-UHFFFAOYSA-N	220.388	3.770	0	50	BHAA	
FC(F)c1ccnc(NC2CCCCCC2)n1	479847146	AXQGPRZVJJPYOB-UHFFFAOYSA-N	241.285	3.549	0	50	BHAA	
O=C(O)c1c(-c2ccccc2)coc1C1CCC1	725246845	YPBUFHUJFCHFAE-UHFFFAOYSA-N	242.274	3.912	0	50	BHAA	
CCCc1ccc(OC(=O)c2cccs2)cc1	149538	HLOUXCNVTAPNCB-UHFFFAOYSA-N	246.331	3.920	0	50	BHAA	
Cc1cccc(OC(=O)C2CCCCC2)c1C	364022	AZYGTWRJOZKBKV-UHFFFAOYSA-N	232.323	3.789	0	50	BHAA	
CCC(=O)O[C@H](CC)[C@H](C)c1ccccc1	409772	CWWGTVBUXMFTSG-DGCLKSJQSA-N	220.312	3.522	0	50	BHAA	
Cc1ccc(NC(=O)c2cc(C)ccc2C)cc1	514622	KUTOZKXOURYDQW-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
C[Si](C)(C)C(Cl)(Cl)[Si](C)(C)C	170154234	WWPQQMDJOWANKG-UHFFFAOYSA-N	229.299	3.915	0	50	BHAA	
C[C@H](SC(C)(C)C)C(=O)c1ccccc1	616573599	WWJGOMAEWHSHTK-JTQLQIEISA-N	222.353	3.790	0	50	BHAA	
Cc1ccc2oc(-c3ccccc3)cc(=O)c2c1	58123	NOQJBXPAMJLUSS-UHFFFAOYSA-N	236.270	3.768	0	50	BHAA	biogenic,in-vivo
O=C(Nc1ccc(F)cc1)c1ccccc1Cl	293461	PMHCCURYPFIWPW-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
O=C(O)c1ccc2c(c1)Sc1ccccc1O2	336233	WFQWCLKNTPDVJP-UHFFFAOYSA-N	244.271	3.642	0	50	BHAA	
FC(F)(F)CC(Cl)(Cl)C(F)(F)F	2379346	AOERTVADMVAHAA-UHFFFAOYSA-N	234.954	3.675	0	50	BHAA	
c1ccc(C(=C2CCNCC2)c2ccccc2)cc1	2507532	UNPKOFGAQOEDMF-UHFFFAOYSA-N	249.357	3.872	0	50	BHAA	
CCNc1ccc(Cl)c(C(F)(F)F)c1	32014700	INNSDYDXEKBZEV-UHFFFAOYSA-N	223.625	3.791	0	50	BHAA	
C[C@@H]1CC(=O)[C@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@@H](C)C1	242592216	OMRXGTVRYFLYAG-RQWGMIHLSA-N	220.356	3.674	0	50	BHAA	
Fc1ccc(-c2ccnc(C(F)F)c2)cc1	725273419	AGICETFKIMCUFQ-UHFFFAOYSA-N	223.197	3.825	0	50	BHAA	
Nc1c(Cl)cc(C(F)(F)F)cc1Cl	56905	ITNMAZSPBLRJLU-UHFFFAOYSA-N	230.016	3.594	0	50	BHAA	
O=Cc1ccc(OCc2cccc(Cl)c2)cc1	151810	QLYLREZHERJGAH-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	
COc1ccc(NCc2ccc(C)cc2)cc1	410241	LNTCVDXWYBHGBH-UHFFFAOYSA-N	227.307	3.616	0	50	BHAA	
CCCC[C@H](CC)C(=O)NC(CC)CC	2856558	JXGFPBCPRGSWSN-NSHDSACASA-N	213.365	3.508	0	50	BHAA	
O=C(Nc1ccccc1)Nc1ccc(F)c(F)c1	6339792	MCPINGKPGHHIDF-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CCCCC(=O)Nc1c(C)[nH]c2ccccc12	1875270405	GSMHYIZSMBXDAP-UHFFFAOYSA-N	230.311	3.605	0	50	BHAA	
Cc1cc(Sc2ccc(Cl)cc2)ncn1	189026	SXJUINSEOOPEOV-UHFFFAOYSA-N	236.727	3.590	0	50	BHAA	
S=c1nc(-c2ccccc2)oc2c1CCCC2	225616	ADESGXWSHWCJOO-UHFFFAOYSA-N	243.331	3.950	0	50	BHAA	
Oc1c(Cl)cc(Cl)c2ccccc12	402846	HVLJEMXDXOTWLV-UHFFFAOYSA-N	213.063	3.852	0	50	BHAA	
FC(F)(F)c1ccc(Cl)c([C@H]2CCCN2)c1	3732410	BYUYOLSCIFICBO-SNVBAGLBSA-N	249.663	3.783	0	50	BHAA	
CC(C)(C)c1ccc(C(=O)O)c(C(C)(C)C)c1	7023227	PINAENFSXQEGCA-UHFFFAOYSA-N	234.339	3.980	0	50	BHAA	
COc1cncc(-c2ccc(F)c(Cl)c2)c1	669380239	KFFHWKMJZHHSPR-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
O=C(CCNc1cccc(Cl)c1)c1ccco1	313477	DJPRWCZFMGHZRR-UHFFFAOYSA-N	249.697	3.618	0	50	BHAA	
Cc1c(Cl)c(C)c(Cl)c(O)c1Cl	393669	ZNEWEUWJXXZLAD-UHFFFAOYSA-N	225.502	3.969	0	50	BHAA	in-vitro
CC[C@@]1(C)C[C@@H](c2csc(C)n2)CCO1	432782	YPZFGDOTQMFJSL-JQWIXIFHSA-N	225.357	3.514	0	50	BHAA	
Cc1cnccc1CCCCc1ccccc1	34404922	JEDYHKWYHRZSFV-UHFFFAOYSA-N	225.335	3.955	0	50	BHAA	
O=Cc1ccccc1Oc1ccc(F)c(F)c1	167977	XOJHFAVMLHRBBZ-UHFFFAOYSA-N	234.201	3.570	0	50	BHAA	
CN(C)C(=O)Oc1ccc(Cl)c2ccccc12	316705	ZDZUKCUXVDXCRM-UHFFFAOYSA-N	249.697	3.554	0	50	BHAA	
CSC(=S)c1ccc2ccccc2c1	330099	CXBUBCUQYMCHMX-UHFFFAOYSA-N	218.346	3.878	0	50	BHAA	
CCCCNCCOc1cccc(C(C)C)c1	5951511	AWAVBGDHIUFZOW-UHFFFAOYSA-N	235.371	3.579	0	50	BHAA	
Cc1ccc([C@@H](C)CCN2CCCC[C@@H]2C)o1	39408725	VETYRGYMDFMOAY-STQMWFEESA-N	235.371	3.956	0	50	BHAA	
COc1ccc(C(C)C)c(Br)c1	145172421	TXGONKBBXWVIBE-UHFFFAOYSA-N	229.117	3.581	0	50	BHAA	
Cc1cccc2c(-c3ccnc(Cl)n3)c[nH]c12	498051135	VWBDMYMILZQSKP-UHFFFAOYSA-N	243.697	3.587	0	50	BHAA	
Cc1[nH]c2ccccc2c1NC(=O)CCC(C)C	1875270407	HGJQNPCYMBVJBR-UHFFFAOYSA-N	244.338	3.851	0	50	BHAA	
Cc1cc(C)c2c(C)nn(C3CCCCC3)c2n1	209149	JTKOXSMVRIQUKP-UHFFFAOYSA-N	243.354	3.862	0	50	BHAA	
CC(=O)c1ccc(Oc2ccc(F)cc2)cc1	4255996	HPLGELQKWAOYKR-UHFFFAOYSA-N	230.238	3.821	0	50	BHAA	in-vitro
CCCCOc1c(F)ccc(Cl)c1F	261494097	PUSJRXHLFNCLJI-UHFFFAOYSA-N	220.646	3.797	0	50	BHAA	
CC(C)(C)c1cccc(Br)c1	1593158	FDXXHPYFJDKWJS-UHFFFAOYSA-N	213.118	3.747	0	50	BHAA	in-vitro
Fc1ccc(C(F)(F)F)cc1Br	2390038	RZJOIMPUMMQKFR-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Nc1cc(Cl)ccc1NCc1ccccc1	3269641	XVEGCHXSQSIOKO-UHFFFAOYSA-N	232.714	3.534	0	50	BHAA	
Oc1cccc2c(Cl)cc(C(F)(F)F)nc12	8729800	YVIDUTTVQCFPKE-UHFFFAOYSA-N	247.603	3.613	0	50	BHAA	
Cc1ccccc1[C@H]1CCCC[C@H]1N(C)C	96027172	JVJVUMAHCRTZHP-HUUCEWRRSA-N	217.356	3.583	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1	143476	OWQDZYRWBHZBCH-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Clc1ccc(/C=C/c2ccncc2)cc1	152052	PONMZBJRRLHVPF-OWOJBTEDSA-N	215.683	3.905	0	50	BHAA	in-vitro
Cc1ccc(OC(=O)Nc2ccccc2F)cc1	399814	ATFGUGDMQJYDPR-UHFFFAOYSA-N	245.253	3.745	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N[C@H](C)C(C)(C)C)c1	6731019	ZWZCHPXBJQTPDA-GFCCVEGCSA-N	248.370	3.860	0	50	BHAA	
C[C@@H](NCc1ccccc1)C1CCCCC1	34279051	OMHARYGQHXTRHT-CYBMUJFWSA-N	217.356	3.745	0	50	BHAA	
Cc1ccc(-c2c(F)cc(N)cc2F)cc1	86005687	RCVSXOLDAMDBLJ-UHFFFAOYSA-N	219.234	3.522	0	50	BHAA	
Fc1cccc2c(Br)csc12	145798092	YKCDCTCEGXQORR-UHFFFAOYSA-N	231.089	3.803	0	50	BHAA	
CC(C)(C)Oc1ccc(-c2cncc(O)c2)cc1	1236580775	OSLSQPCQJKEWFP-UHFFFAOYSA-N	243.306	3.632	0	50	BHAA	
Cc1ccc(SCCc2ccccn2)cc1	439520	ZACPEFYIRBPILY-UHFFFAOYSA-N	229.348	3.725	0	50	BHAA	
O=Cc1ccc(-c2ccc(Cl)cc2F)o1	466639	NPEKTQYNJCJCQT-UHFFFAOYSA-N	224.618	3.552	0	50	BHAA	in-vitro
FC(F)(F)Cc1ccc(Br)cc1	63361014	SYERREWLUUWURN-UHFFFAOYSA-N	239.034	3.554	0	50	BHAA	in-vitro
CC[C@H]1[C@@H](C)CCN1Cc1ccc(F)cc1F	170599709	HRPXUIMTWUNKED-HZMBPMFUSA-N	239.309	3.585	0	50	BHAA	
CO[C@H](C)c1cccc(-c2nccn2C(C)C)c1	426370786	RCFCOIAWEFIZGW-GFCCVEGCSA-N	244.338	3.838	0	50	BHAA	
C=Cc1ccc(-c2c(C)n[nH]c2C)cc1C	1875340006	HYUWKEVJVYMMHJ-UHFFFAOYSA-N	212.296	3.645	0	50	BHAA	
COc1ccc(SC(=O)c2ccccc2)cc1	124170	TXWJODCQLJTZHC-UHFFFAOYSA-N	244.315	3.628	0	50	BHAA	
O=C(O)C1(c2ccc(Cl)cc2)CCCCC1	156542	UPNXUJXIIZGXLQ-UHFFFAOYSA-N	238.714	3.627	0	50	BHAA	in-vitro
Cc1cccc(-c2nc3ccccc3s2)c1O	2584535	NABPZMVNQIEOIO-UHFFFAOYSA-N	241.315	3.977	0	50	BHAA	
C1=CC[C@@]23C=C[C@]2(C1)Cc1ccccc1C3	71786846	PPNLCXLEESNQBQ-IYBDPMFKSA-N	208.304	3.678	0	50	BHAA	
NCC[C@H](CCc1ccccc1)c1ccccc1	76621594	BXXWFBYYNGNPPK-KRWDZBQOSA-N	239.362	3.752	0	50	BHAA	
COc1ccc(CN(C)C2CCCCC2)cc1C	217021	YDCADMWACCNXFD-UHFFFAOYSA-N	247.382	3.768	0	50	BHAA	
O=C(NC1CCCCCCC1)c1ccccc1	443595	YWQYYDSXZUHGDO-UHFFFAOYSA-N	231.339	3.529	0	50	BHAA	
Cc1cccc(-c2nc3ccccc3n2C)c1	572723	QMMNZLWHTVXKGW-UHFFFAOYSA-N	222.291	3.549	0	50	BHAA	
CCN(c1ccccc1)c1ccc(C=O)cc1	1583081	DBKDVEPBROVGLY-UHFFFAOYSA-N	225.291	3.657	0	50	BHAA	in-vitro
CCCCOC(=O)Nc1c(C)cccc1C	1770647	NBTJYAMBEKGPSZ-UHFFFAOYSA-N	221.300	3.652	0	50	BHAA	
CCSc1ccc(-c2ccc(C=O)cn2)cc1	2527569	PDCZCFBSFOLVBU-UHFFFAOYSA-N	243.331	3.673	0	50	BHAA	
CC(C)(C)C(=O)CCc1ccc(Cl)cc1	2562558	ILQGIJDYSLHIOX-UHFFFAOYSA-N	224.731	3.888	0	50	BHAA	in-vitro
Cc1cc(NC2CC2)nc2cc(Cl)ccc12	23550220	PNGBAKDTFUKGGC-UHFFFAOYSA-N	232.714	3.771	0	50	BHAA	
CC(C)=CC(=O)N(Cc1ccc(C)s1)C1CC1	67841522	NNOLLTZGSZNHLG-UHFFFAOYSA-N	249.379	3.514	0	50	BHAA	
CCc1ccc(NC(=O)C(CC)CC)cc1	442374	NESSZYAILSWDBA-UHFFFAOYSA-N	219.328	3.624	0	50	BHAA	
Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1	510930	IANCOMABALMZHX-FMIVXFBMSA-N	238.286	3.614	0	50	BHAA	
COc1cc(/C=C/c2ccccc2)cc(OC)c1	1676026	BIYGTLDPTJMNET-CMDGGOBGSA-N	240.302	3.874	0	50	BHAA	biogenic,in-vitro
O=C(Nc1ccccc1F)Oc1ccccc1F	4539171	WEVLKNAHLVKCKP-UHFFFAOYSA-N	249.216	3.576	0	50	BHAA	
CCCc1ccc(C(=O)N2CCC(C)CC2)cc1	16605469	YBJXTJYITYIXRG-UHFFFAOYSA-N	245.366	3.511	0	50	BHAA	
Cc1cc(Br)cc(Cl)c1S	36533061	GMNSRPABLCSISB-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
COc1cc2ccccc2cc1Br	39616923	VFAPZPJQVMNTEX-UHFFFAOYSA-N	237.096	3.611	0	50	BHAA	in-vitro
CC(C)Cc1cccc(CC(C)C)c1N	45074638	PSIJIENWURFNAS-UHFFFAOYSA-N	205.345	3.666	0	50	BHAA	
Cc1cccc(NC(=O)c2cc(C)ccc2C)c1	514643	XNZBUHPNRKBFLX-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CCC[C@H](NC(C)=O)C12CC3CC(CC(C3)C1)C2	13330756	ODTPGAMXYJKIMX-DQGBIZLVSA-N	249.398	3.508	0	50	BHAA	
Cc1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1	65461591	GJWFKYKNJFIKEV-UHFFFAOYSA-N	227.094	3.692	0	50	BHAA	
Cc1ccc(-c2ccc(C)c(C(=O)O)c2)cc1	87743018	HYCSNDDSKGAZRU-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
O=C(Cc1ccc(Cl)cc1)c1ccccc1	333418	HGIDMJOUQKOWMX-UHFFFAOYSA-N	230.694	3.765	0	50	BHAA	
CCCCC(=O)c1ccc(OC(C)C)cc1	2776514	ISMAUWIWSVCAGV-UHFFFAOYSA-N	220.312	3.847	0	50	BHAA	
Clc1ccc(CNC2CCCCC2)cc1	5996902	BRAAMEFOGGQBFT-UHFFFAOYSA-N	223.747	3.762	0	50	BHAA	
FC(F)(F)c1ccc(S)c(Cl)c1	36532982	YSXXAMORSGVFKZ-UHFFFAOYSA-N	212.623	3.648	0	50	BHAA	
C1=C[C@]2(CCCS2)[C@]2(C=C1)CCCS2	43762989	OOHZAYTUNOEBMK-RYUDHWBXSA-N	224.394	3.644	0	50	BHAA	
CCN(CC)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1	170620572	UQTSAPHDPNZMBU-OLZOCXBDSA-N	239.403	3.707	0	50	BHAA	
CC1=CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2[C@H](O)[C@@H]2CC=C[C@H]12	257359065	YCMCSGLLCUSKCL-LPFHWZMVSA-N	244.378	3.552	0	50	BHAA	
CC(C)(C)S[C@@H]1CC(=O)CCC1(C)C	725361046	KLZMKGJTKQOVDR-SNVBAGLBSA-N	214.374	3.666	0	50	BHAA	
C[C@H](Oc1ccc(C=O)cc1)c1ccccc1	615689	LMMGNTKBNYFCSQ-LBPRGKRZSA-N	226.275	3.639	0	50	BHAA	
Clc1ccc(Cl)c([C@H]2CCCCN2)c1	3734675	YFDPMXCBDHALDH-LLVKDONJSA-N	230.138	3.808	0	50	BHAA	in-vitro
CCCC[C@@H](CC)C(=O)N1CCCCCCC1	6725499	YFTFSDNGQXJJAO-CQSZACIVSA-N	239.403	3.996	0	50	BHAA	
CC(C)(C)c1ccc(-c2ccc(N)nc2)cc1	16947822	GZPLGDSJCFACQF-UHFFFAOYSA-N	226.323	3.628	0	50	BHAA	
COc1ccccc1-c1ccc2ccccc2n1	19865988	JDFCFENIOLRWFR-UHFFFAOYSA-N	235.286	3.910	0	50	BHAA	
O=C(Cc1ccc(F)cc1)c1ccc(Cl)cc1	122407	DEWHNPKDNJHLIN-UHFFFAOYSA-N	248.684	3.905	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)Nc2ccccc2)cc1C	390002	GOGSWYNOHOZGSD-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
CC(C)NC(=O)Nc1cccc(Cl)c1Cl	395154	YYBRZGHTAJQCJR-UHFFFAOYSA-N	247.125	3.523	0	50	BHAA	
Fc1ccc([C@H]2Cc3cc(F)ccc3N2)cc1	3700498	AIKZSNJIXLXMNQ-CQSZACIVSA-N	231.245	3.674	0	50	BHAA	
Cc1ccc(CN[C@@H](C)c2ccccc2)cc1	4167373	UDQILIFIYSJMCU-AWEZNQCLSA-N	225.335	3.846	0	50	BHAA	
CCSc1ccc(C(=O)C(F)(F)F)cc1	4255843	PZELFQVSBHVSAQ-UHFFFAOYSA-N	234.242	3.544	0	50	BHAA	
Cc1ccc(O)c([C@@H](C)c2ccccc2)c1	4530477	DJRYJQNZAYJVGF-LBPRGKRZSA-N	212.292	3.852	0	50	BHAA	
CCCCSCc1nc2cc(C)ccc2[nH]1	22216066	RQRIHWFYFSXDBB-UHFFFAOYSA-N	234.368	3.905	0	50	BHAA	
CC(C)(C)[C@H](N)c1cccc2ccccc12	54439043	FQTPRCXAYUOOGA-CQSZACIVSA-N	213.324	3.886	0	50	BHAA	
CSc1c[nH]c2ccc(Br)cc12	91692823	YLHTXVVSBGIOSU-UHFFFAOYSA-N	242.141	3.652	0	50	BHAA	
c1cc(-c2nc(-c3cscn3)cs2)co1	225551626	ZEIUJZKQEFMBMC-UHFFFAOYSA-N	234.305	3.527	0	50	BHAA	
Cc1ccc2c(c1)sc[n+]2Cc1ccccc1	272618	WGSCUZMYPYSFDI-UHFFFAOYSA-N	240.351	3.546	0	50	BHAA	
COc1ccc(CNc2ccc(C)cc2)cc1	394958	XNMYZFQKCCQEIP-UHFFFAOYSA-N	227.307	3.616	0	50	BHAA	
Clc1ncc(CSCc2ccco2)s1	86777660	XISDBYLYPHSBQW-UHFFFAOYSA-N	245.756	3.823	0	50	BHAA	
Cc1cc(=O)c2sccc2n1[C@@H]1CC[C@@H](C)C1	334956414	LTENADZUBULOHF-MWLCHTKSSA-N	247.363	3.733	0	50	BHAA	
Cc1nc(C)c(-c2ccc3sc(C)nc3c2)[nH]1	1875241844	JGTFWUNKWGSMDM-UHFFFAOYSA-N	243.335	3.612	0	50	BHAA	
Fc1ccccc1NC(=S)Nc1ccccc1	5091981	WPQXHWHWOAYXJY-UHFFFAOYSA-N	246.310	3.635	0	50	BHAA	
C[C@@H](NCCCOC1CCCCC1)C1CCC1	178426044	QXFNKXSYAXXXBI-CYBMUJFWSA-N	239.403	3.504	0	50	BHAA	
Cc1cccc(C)c1NC(=O)NC1CCCCC1	297764	HVSAFMPDLHSZKR-UHFFFAOYSA-N	246.354	3.758	0	50	BHAA	
Cc1ccc(C(=O)c2cccc(Cl)c2)cc1	2019655	MVYBBEGJXRCIGB-UHFFFAOYSA-N	230.694	3.879	0	50	BHAA	
O=C(O)c1cccc(-c2ccc(Cl)cc2)c1	2581035	OWFMSKZVCPGDEJ-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Cc1ccc(C)c(-c2cccc(C(=O)O)c2C)c1	65349785	AMAQFQINEAJOEJ-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	in-vitro
FCCCCCn1ccc2ccccc21	96032861	CRRVPRNYXWCQPP-UHFFFAOYSA-N	205.276	3.781	0	50	BHAA	in-vitro
C[C@H](CC1CC1)Nc1ccc2oc(CO)cc2c1	585117291	XJWDNLWHJGFSGE-SNVBAGLBSA-N	245.322	3.526	0	50	BHAA	
COc1cccc2c3c(c(C)nc12)C[C@@H](C)S3	34238	YYPPVHYJGCMWKH-MRVPVSSYSA-N	245.347	3.589	0	50	BHAA	biogenic
COc1ccc2nc(C)c3cc(C)oc3c2c1	229417	XJOGBLKKDFNWOG-UHFFFAOYSA-N	227.263	3.606	0	50	BHAA	biogenic
COc1cccc(-c2nc3ccccc3o2)c1	267248	LBYPXCKNONYICH-UHFFFAOYSA-N	225.247	3.503	0	50	BHAA	
Cc1cccc(Cl)c1NC(=O)NC(C)(C)C	401511	ADPAHUAWIPEFBL-UHFFFAOYSA-N	240.734	3.568	0	50	BHAA	
CC(C)=CCC/C(C)=C\COC(=O)C(C)C	1850863	OGJYXQFXLSCKTP-LCYFTJDESA-N	224.344	3.878	0	50	BHAA	endogenous,in-man
Cc1nc2cc(Nc3ccncc3)ccc2s1	11535868	YDDBCIFJHKECIH-UHFFFAOYSA-N	241.319	3.743	0	50	BHAA	
C[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C)[C@@]13C=C[C@@]21CC=CC3	71785719	KYBVGURWBOKRGE-ZUISRVRFSA-N	212.336	3.967	0	50	BHAA	
C=Cc1ccc(-c2cccc(F)c2C=O)cc1	725241414	PZWARYSTABXKME-UHFFFAOYSA-N	226.250	3.948	0	50	BHAA	
O=C(COc1ccccc1)c1ccc(Cl)cc1	1382768	RXPGQJAUALFAMM-UHFFFAOYSA-N	246.693	3.602	0	50	BHAA	
CCCC[C@@H](CC)COC(=O)CCC	2522822	LFEQNZNCKDNGRM-LLVKDONJSA-N	200.322	3.546	0	50	BHAA	
NCCc1ccccc1-c1cc2ccccc2o1	67855071	LEAHNZSFBKTRIX-UHFFFAOYSA-N	237.302	3.601	0	50	BHAA	
Cc1c[nH]c2c1cnc1ccc(Cl)cc12	139063932	LSQSVAQANKLBLE-UHFFFAOYSA-N	216.671	3.678	0	50	BHAA	in-vitro
COc1cc(Cl)cc(Cl)c1OC(F)F	263624062	NCOACJXALWGQOV-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
COc1ccc(CN2CCCC[C@@H]2C)c(C)c1C	277898	UWRWRXWLLGXKFW-LBPRGKRZSA-N	247.382	3.686	0	50	BHAA	
C=C(c1ccccc1OC)c1ccccc1OC	399598	IYPAGWBPGHFELL-UHFFFAOYSA-N	240.302	3.765	0	50	BHAA	
Clc1ccc(/C=C/Br)cc1	65734980	ZTBMGKTZOOAZBH-AATRIKPKSA-N	217.493	3.706	0	50	BHAA	in-vitro
O=C(CC1CCCCC1)N1CCc2ccccc21	200505	NDGHQQOFNPGTPQ-UHFFFAOYSA-N	243.350	3.546	0	50	BHAA	
O=C(c1ccc(F)cc1)c1cc2ccccc2o1	216851	SFVGCTLMFVDKTP-UHFFFAOYSA-N	240.233	3.803	0	50	BHAA	
Cc1nc2ccccc2nc1-c1ccccc1	1597979	FPAQDFDMDUFBPS-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	in-vitro
Cc1cccc(C(C)C)c1NC(=O)C(C)C	5755978	YHNDLVTWHMWCHD-UHFFFAOYSA-N	219.328	3.713	0	50	BHAA	
Cc1cccc(NC(=O)[C@@H](C)c2ccccc2)c1	9879677	NZSBEENYAAJCCB-ZDUSSCGKSA-N	239.318	3.737	0	50	BHAA	
Fc1cc(C(F)(F)F)c(F)cc1Cl	66329427	OSHAWXYKNXIRNX-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
CCCc1cnc(-c2cccc3[nH]ccc23)nc1	67919572	AEOREUUSLOGYAA-UHFFFAOYSA-N	237.306	3.577	0	50	BHAA	
CCc1ccc(Br)cc1Cl	113414646	AASDBIISNAGHAU-UHFFFAOYSA-N	219.509	3.665	0	50	BHAA	
C[C@H]1OCC[C@@H]1SCc1sccc1Cl	225795060	NIERQKIPPHOPKM-APPZFPTMSA-N	248.800	3.812	0	50	BHAA	
Cc1cc(NCc2ccco2)nc2ccccc12	2466131	BZWCKXWRABNZAM-UHFFFAOYSA-N	238.290	3.748	0	50	BHAA	
Cc1cccc(NC(=O)Nc2cccc(F)c2)c1	6725756	DZHRMVXOQUQYAF-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
Cc1cc(C)c(Nc2ccnc(Cl)n2)c(C)c1	115422882	KQCLVBUDRUWRTM-UHFFFAOYSA-N	247.729	3.799	0	50	BHAA	
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1	8667	SYTBZMRGLBWNTM-SNVBAGLBSA-N	244.265	3.681	0	50	BHAA	biogenic,fda
CCCCNCCOc1ccc(C(C)C)c(C)c1	3003273	HCCIRTOZSRACCX-UHFFFAOYSA-N	249.398	3.887	0	50	BHAA	
CC(=O)c1c(-c2ccccc2)cc2ccccn12	4091956	YRKQFUNEFWDJOQ-UHFFFAOYSA-N	235.286	3.809	0	50	BHAA	
COC(=O)/C1=C/CCCCCCCCC1	39258167	IXJSBKWOAZUFMR-ZRDIBKRKSA-N	210.317	3.610	0	50	BHAA	
Oc1ccccc1-c1ccc(F)c(Cl)c1	65340036	ZNMVZABPCSIZAM-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	
CC[C@@H](C)c1csc([C@H]2CCCO2)n1	136477105	LDRAMTPOKASDRJ-PSASIEDQSA-N	211.330	3.508	0	50	BHAA	
Cc1[nH]c2ccccc2c1NC(=O)CC1(C)CC1	1875270396	FFYYQNPVXXARIM-UHFFFAOYSA-N	242.322	3.605	0	50	BHAA	
CC(C)[C@H](C)NC(=O)Nc1ccc(Cl)cc1	407524	XXQDJUNURJDEFL-VIFPVBQESA-N	240.734	3.506	0	50	BHAA	
O=C(O)[C@H](Sc1ccccc1)c1ccccc1	4748582	UOCQATUFLPHRNG-CYBMUJFWSA-N	244.315	3.605	0	50	BHAA	in-vitro
CC[C@@H](C(=O)O)C1CCC(C(C)(C)C)CC1	166326736	HVWTUWNQJCECNN-HTAVTVPLSA-N	226.360	3.950	0	50	BHAA	
Cc1cccc(NC(=O)Nc2ccccc2)c1	395062	QNNRRIORNUMEQI-UHFFFAOYSA-N	226.279	3.639	0	50	BHAA	
C[C@](C(=O)O)(c1ccccc1)C1CCCCC1	2520687	SYUJOANCOQHMKN-HNNXBMFYSA-N	232.323	3.609	0	50	BHAA	
Cc1ccc(N2CCCCC2)cc1Cl	16124276	BVTFSKQEMUXBLP-UHFFFAOYSA-N	209.720	3.639	0	50	BHAA	
C1=C\c2ccc(cc2)CCc2ccc/1cc2	101015304	AOOVJJOVZSGYIH-KTKRTIGZSA-N	206.288	3.956	0	50	BHAA	
Cc1ccc(-c2ocnc2CC2CC2)s1	2356154299	PVUMXNBEABTACV-UHFFFAOYSA-N	219.309	3.664	0	50	BHAA	
O=Cc1ccc(-c2ccc(F)c(Cl)c2)o1	225278	IKGCOVURJWXEST-UHFFFAOYSA-N	224.618	3.552	0	50	BHAA	
O=C(CC1CCCCC1)NCCC1=CCCCC1	382359	CONKVPMCWGAWLJ-UHFFFAOYSA-N	249.398	3.964	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)OC(C)C	395422	FZCOJKJBLKSJIF-UHFFFAOYSA-N	227.691	3.605	0	50	BHAA	
CC1(C)C(=O)c2ccccc2-c2ccccc21	1509863	AQDOJLHKSYMMEV-UHFFFAOYSA-N	222.287	3.828	0	50	BHAA	
CC(C)(C)[C@@H]1CCc2sc(C(=O)O)cc2C1	2650670	VDSYCTWGBTXSEX-SECBINFHSA-N	238.352	3.597	0	50	BHAA	in-vitro
CSc1ccccc1-c1ccc(N)cc1	34482029	ORLHVUBLPZUJIS-UHFFFAOYSA-N	215.321	3.658	0	50	BHAA	in-vitro
CC(C)NC(=S)Nc1cccc2ccccc12	71689	GGZCNPBFWWAIHK-UHFFFAOYSA-N	244.363	3.535	0	50	BHAA	
O=C(c1ccccc1)c1ccccc1-n1cccc1	1390632	ZLCSDWSOHXREBD-UHFFFAOYSA-N	247.297	3.708	0	50	BHAA	
CCCCOC(=O)Nc1ccc(Cl)cc1	2161965	LNDRNLATBCUCDB-UHFFFAOYSA-N	227.691	3.689	0	50	BHAA	
FC(F)Sc1ccc(Br)cc1	20268463	CPHVJEPYGKUFIB-UHFFFAOYSA-N	239.084	3.764	0	50	BHAA	in-vitro
O=C(O)c1ccc(Cl)c(-c2ccccc2)c1	20397749	YVUUMTVLLLZDAL-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
COC1=Nc2ccccc2[C@@H]2C[C@@H]2c2ccccc21	43761817	UTUKPJUJTQRSLU-CABCVRRESA-N	249.313	3.996	0	50	BHAA	
c1cc2c(cc1NC1CCCCCC1)OCO2	4007943	JTWBZEVIQUKEPD-UHFFFAOYSA-N	233.311	3.550	0	50	BHAA	
FC(F)(F)c1cc2ccccc2nc1Cl	16159936	UHUURLGTUPTFDC-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
Clc1ccc2cc(Br)sc2n1	34639148	ZXVWVCBUASMPQD-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
C[C@@H](O)c1ccc(Oc2ccc(F)cc2)cc1	35632279	SHWOMEQIYAAQLJ-SNVBAGLBSA-N	232.254	3.671	0	50	BHAA	
C[C@H]1C/C=C2/CC[C@@H](CC(=O)C1)C2(C)C	43763277	FEODWSHFVLJMMG-UZMSLZTPSA-N	206.329	3.738	0	50	BHAA	
CC(C)[C@@H]1CNc2ccc(C(F)(F)F)cc2C1	109608982	XUAVLHBJQNYFGJ-JTQLQIEISA-N	243.272	3.946	0	50	BHAA	
Oc1ccc(Cl)c(OCc2ccccc2)c1	141209864	LFQAQGXEZMVAGL-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
Cc1ccc(NC(=O)Nc2ccccc2)cc1	395064	AGZGRJNNPSJVKR-UHFFFAOYSA-N	226.279	3.639	0	50	BHAA	
CCCCNC(=O)Nc1c(CC)cccc1CC	3086112	GETQIAIQBYDDCS-UHFFFAOYSA-N	248.370	3.733	0	50	BHAA	
Fc1ccc(Nc2cccc3nccnc23)cc1	4818870	RSYQEHSCEOGLEJ-UHFFFAOYSA-N	239.253	3.513	0	50	BHAA	
CC1(NC(=O)Nc2ccccc2)CCCCC1	5705836	AKNTUWPMYJIXRB-UHFFFAOYSA-N	232.327	3.531	0	50	BHAA	
COc1cccc(CN[C@@H](C)c2ccccc2)c1	6702419	MEBFFEBACJWTHG-ZDUSSCGKSA-N	241.334	3.546	0	50	BHAA	
CCC[C@H](NC(=O)c1ccoc1)c1ccccc1	53282502	PDSBUJAEKAQCIQ-AWEZNQCLSA-N	243.306	3.551	0	50	BHAA	
COc1ccc(Cl)c(-c2cccc(N)c2)c1	95495635	QJPIMCNYMNBSGH-UHFFFAOYSA-N	233.698	3.598	0	50	BHAA	
Cc1ccc(NCCC(=O)c2cccs2)cc1	446236	XDAZTCVUXATESM-UHFFFAOYSA-N	245.347	3.741	0	50	BHAA	
Cc1cc(C)cc(Oc2ccccc2C=O)c1	1405351	SZCIXTZUAFRBSJ-UHFFFAOYSA-N	226.275	3.908	0	50	BHAA	in-vitro
Cc1ccc(-c2cc3ccccn3c2)cc1	1598305	DCLHWYSXBSMRRM-UHFFFAOYSA-N	207.276	3.915	0	50	BHAA	biogenic
CCC/C=C/c1cccc(-c2nnc(C)o2)c1	67754482	YTZNNAYZYJBGGM-FNORWQNLSA-N	228.295	3.858	0	50	BHAA	
Clc1ccc2cccnc2c1Br	95802905	QJMJVWVSQGFCOQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Cc1ccc(C)c(NC(=O)c2cccs2)c1	143555	SJQOCLYGXOTTKT-UHFFFAOYSA-N	231.320	3.617	0	50	BHAA	
Nc1ccc(Sc2ccc(F)cc2)cc1	169928	LNYUNEQJZJOMBA-UHFFFAOYSA-N	219.284	3.559	0	50	BHAA	in-vitro
c1ccc(COc2cccc3cccnc23)cc1	5737069	FPFKXDKOMIEEPB-UHFFFAOYSA-N	235.286	3.814	0	50	BHAA	
CCC[C@@H](C)c1nc2c(cnn2[C@@H](C)CC)[nH]1	48319785	SJNDTDOHMIFOEI-ZJUUUORDSA-N	234.347	3.634	0	50	BHAA	
Clc1cnc2ccc(Br)cc2c1	91692906	HLYGTTGTBSWNMF-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Cc1nc2ccccc2nc1CSCC1CC1	177961154	WQXLSNVBHBHYIY-UHFFFAOYSA-N	244.363	3.581	0	50	BHAA	
c1csc(CCCCN2CCCCCC2)c1	200570806	GNOXNVOEAQHEJT-UHFFFAOYSA-N	237.412	3.947	0	50	BHAA	
CCC[C@@H]1Nc2ccccc2[C@H]2OCCC[C@H]12	209694539	URAWUVAUCHYFOU-VNHYZAJKSA-N	231.339	3.749	0	50	BHAA	
CC(=O)c1ccc(-c2ccnc(C(F)F)c2)cc1	725273561	LCJIIKFHQDGGJD-UHFFFAOYSA-N	247.244	3.889	0	50	BHAA	
Cc1ccccc1NC(=O)N(C(C)C)C(C)C	271183	OZOSCYRCHSTZNX-UHFFFAOYSA-N	234.343	3.646	0	50	BHAA	
Fc1ccc(CN2CCCCCCC2)cc1	282660	CVOVJIPZIIWBKP-UHFFFAOYSA-N	221.319	3.592	0	50	BHAA	
CC(C)c1ccc([C@H]2CCCC[C@H]2O)cc1	1708382	DWSGOQPKPDSNPU-HUUCEWRRSA-N	218.340	3.829	0	50	BHAA	
CC[C@@H](C)c1ccc(OCCN2CCCC2)cc1	4845296	YSRMSTNSTBBILJ-CQSZACIVSA-N	247.382	3.675	0	50	BHAA	
Fc1c(Cl)ccc(Br)c1Cl	63339640	GGVLXXOXZOFPJH-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
Nc1ccc(Cl)cc1Nc1ccc(F)cc1	218932984	JLYGSVTZZHDEAG-UHFFFAOYSA-N	236.677	3.805	0	50	BHAA	
Clc1cccc(OCc2ccccc2)c1	332075	WIJUFHLXUSIELP-UHFFFAOYSA-N	218.683	3.919	0	50	BHAA	
Cc1cccc(C)c1NC(=O)N(C(C)C)C(C)C	396755	MVZMUPXFUZRPLT-UHFFFAOYSA-N	248.370	3.954	0	50	BHAA	
Fc1ccc(F)c2c(Cl)c(Cl)cnc12	41702436	GBPNKZHOKVOISW-UHFFFAOYSA-N	234.032	3.820	0	50	BHAA	in-vitro
COC(=O)c1cccc(-c2ccc(F)cc2C)c1	97757286	SCRXNRIDMITUGL-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC1(C)CC(=O)c2c(Cl)cc(Cl)nc2C1	214108628	YWMRDGAKRAMKLH-UHFFFAOYSA-N	244.121	3.544	0	50	BHAA	
Clc1ncc2c(Cl)ccc(Cl)c2n1	498049344	OSFONGKOKDAYAC-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	
CCc1ccc(NC(=O)Nc2ccccc2)cc1	316123	CPCZNJSFVOOZOG-UHFFFAOYSA-N	240.306	3.893	0	50	BHAA	
C[C@@H]1c2ccccc2-c2ccc(C(=O)O)cc21	391651	ACVPSAXOHIZCDV-SECBINFHSA-N	224.259	3.517	0	50	BHAA	
COc1ccc(C(=O)c2ccccc2Cl)cc1	456898	JLAGTIGTDCDSNA-UHFFFAOYSA-N	246.693	3.580	0	50	BHAA	in-vitro
c1ccc2c(C3SCCS3)c[nH]c2c1	2008505	WRUCRCKOLBABNZ-UHFFFAOYSA-N	221.350	3.647	0	50	BHAA	
Cc1cc(C)c(C)c(C(=O)C(F)(F)F)c1C	2378566	ZFZQFDOWPDFFJF-UHFFFAOYSA-N	230.229	3.665	0	50	BHAA	
COc1ccccc1OCCCSC(C)C	2880392	OVPPZBWKOZGXAX-UHFFFAOYSA-N	240.368	3.606	0	50	BHAA	
O=Cc1ccc(-c2ccc(F)c(Cl)c2)cc1	33427805	UANLRBFSWUEGFR-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	in-vitro
CCSCc1ccccc1Br	34506163	URXHDNUHHLLHPJ-UHFFFAOYSA-N	231.158	3.702	0	50	BHAA	in-vitro
C1=C[C@@H]2COC[C@@H]2CCCCCCCC1	254849332	QQPBNXSJUXIDLT-KGLIPLIRSA-N	208.345	3.940	0	50	BHAA	biogenic
CC(C)=CC(=O)Nc1c(C)cc(C)cc1Cl	145700	ZNVCVMIXFSGTQE-UHFFFAOYSA-N	237.730	3.862	0	50	BHAA	
Cc1ccc([C@@H](CC(=O)O)c2ccccc2)cc1	3158996	VFSKJOKMOSONNS-HNNXBMFYSA-N	240.302	3.602	0	50	BHAA	
Cc1ccc(-c2nc3ccccc3n2C)s1	4846074	ICVKRCRHESOEJM-UHFFFAOYSA-N	228.320	3.610	0	50	BHAA	
CCOC(=O)C(C)(C)C1=CCCCCCC1	45027875	ABESLNNLAUPJIM-UHFFFAOYSA-N	224.344	3.856	0	50	BHAA	
C[C@H]1CCCC[C@H]1Oc1cccc(CCCO)c1	584907148	JJZSJNNKXMZXAQ-XJKSGUPXSA-N	248.366	3.569	0	50	BHAA	
CC[C@@H](C)CC(=O)Nc1c(C)[nH]c2ccccc12	1875270444	UVQJWPJZVUDYIR-SNVBAGLBSA-N	244.338	3.851	0	50	BHAA	
Cc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1	145388	QYOSWJLNLNRAON-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
Cc1ccc(Br)c2ccccc12	1690093	IDRVLLRKAAHOBP-UHFFFAOYSA-N	221.097	3.911	0	50	BHAA	in-vitro
CCCCN(CCCC)C(=O)[C@@H](C)CCC	2734920	LOWFQTNMIBYSAF-ZDUSSCGKSA-N	227.392	3.851	0	50	BHAA	
O=C(O)C1CCCCCCCCCCC1	4521338	JWIPDQOXAJMVHL-UHFFFAOYSA-N	212.333	3.992	0	50	BHAA	
Oc1cc(-c2ccccc2F)ccc1Cl	47206810	GNWCWZWOLQUYND-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	
Cc1ccc(C(F)(F)C(F)(F)F)c(C)c1	91675961	MLIGMUPRMUETLS-UHFFFAOYSA-N	224.172	3.958	0	50	BHAA	
CC[C@@H](C)c1nc(Cl)cc(C(F)F)n1	642883373	UBLCYHJKEYSQDC-RXMQYKEDSA-N	220.650	3.581	0	50	BHAA	
CC(C)S[C@H]1CC(=O)CC[C@H]1C(C)(C)C	725362209	QPILUKTVQVLRPX-NEPJUHHUSA-N	228.401	3.912	0	50	BHAA	
CCNc1nc(-c2ccc(C)cc2)cs1	1372378	GMKSVOUWXRBGFP-UHFFFAOYSA-N	218.325	3.550	0	50	BHAA	
Cc1ccc(C2=NNC3(CCCCC3)S2)cc1	2996964	DXYSKVVVOUJMHN-UHFFFAOYSA-N	246.379	3.653	0	50	BHAA	
CCCC[N+]1=C(C)C(C)(C)c2ccccc21	3129838	CTVGDMONACNWIF-UHFFFAOYSA-N	216.348	3.883	0	50	BHAA	
O=C(CNc1ccc(Cl)cc1)c1ccccc1	5946376	SJWIVINUBMHTIV-UHFFFAOYSA-N	245.709	3.635	0	50	BHAA	
FC(F)(F)c1ccc(Br)s1	15442476	YEOCVAKZWADJPV-UHFFFAOYSA-N	231.036	3.529	0	50	BHAA	
CCC[C@H](C)n1ncc2[nH]c([C@@H](C)CC)nc21	55568674	YKXXXVCJKKMGLS-UWVGGRQHSA-N	234.347	3.634	0	50	BHAA	
CSc1ccccc1-c1ccccc1C(=O)O	65339757	WPNXPSYCZSXYTH-UHFFFAOYSA-N	244.315	3.774	0	50	BHAA	
C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1	252516753	WLXVYAPNARXPGX-YIYPIFLZSA-N	237.387	3.508	0	50	BHAA	
FC(F)(F)C1(c2cccc(Cl)c2)CC1	263620188	RNNVNZKDDPGHPG-UHFFFAOYSA-N	220.621	3.934	0	50	BHAA	
CC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1	10120573	PKDNDJWHIITRPR-ZETCQYMHSA-N	246.137	3.522	0	50	BHAA	
CCC[C@H](O)c1ccc(-c2c(C)noc2C)cc1	32580887	AZSYUKPDPCTJBQ-AWEZNQCLSA-N	245.322	3.792	0	50	BHAA	
COc1ccc(Br)cc1C(C)C	34347985	CFNMTRKNNCKHBM-UHFFFAOYSA-N	229.117	3.581	0	50	BHAA	
CCc1cc(Br)cc(CC)c1	64270013	GJZCXWCBZPSQEV-UHFFFAOYSA-N	213.118	3.574	0	50	BHAA	in-vitro
CC[C@H](NC(=O)C(C)(C)C)c1ccc(C)cc1	70236932	KFANVCMJRXEWLU-ZDUSSCGKSA-N	233.355	3.608	0	50	BHAA	
c1ccc(C2([C@@H]3CCCCN3)CCCC2)cc1	96027021	SJBKNJLQLJMGTF-HNNXBMFYSA-N	229.367	3.641	0	50	BHAA	
Cc1ccc2c(-c3cnc(C)c(C)n3)cccc2n1	216347063	ODTIKBKOKDOSAD-UHFFFAOYSA-N	249.317	3.617	0	50	BHAA	
CCC(=O)c1cc(Cl)cc(Br)c1	228807053	UTJMBESKQVEVGL-UHFFFAOYSA-N	247.519	3.695	0	50	BHAA	
Cc1cc(C)c2c(C)c3c(nc2c1)O[C@H](C)CC3	257355090	LOKRNFHHPZEJLL-LLVKDONJSA-N	241.334	3.874	0	50	BHAA	
Fc1ccc(F)c(C(F)F)c1Br	263620168	KPKMEVLHDAVNLN-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
Cc1ccc(-c2cnc(-c3ccncc3)o2)cc1	126634	DKOMHWUGLNQZPW-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
O=Cc1ccc(-c2ccccc2)cc1Cl	82048597	VGRMQYYLRHRMPS-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	
C[C@H]1C[C@@H](NC2CCCC2)c2ccccc21	164399623	FKWAJSCMBIWDDT-XHDPSFHLSA-N	215.340	3.767	0	50	BHAA	in-vitro
CC(C)(C)[C@H]1CC[C@H]([Si](C)(C)C)[C@H](O)C1	169827554	UNPIWWPINOKEAY-TUAOUCFPSA-N	228.452	3.902	0	50	BHAA	
C[C@H]1CCCC[C@H]1CCNCc1ccccc1	720412492	ABVHCAJEERDSAJ-HOCLYGCPSA-N	231.383	3.993	0	50	BHAA	
Nc1ccccc1-c1nc2ccccc2s1	19637	RAASYFFQTCWEKN-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	in-vitro
O=C(CC1CCCCC1)Nc1ccc(F)cc1	316993	STEUOGMCWRZXSW-UHFFFAOYSA-N	235.302	3.735	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2)c(Cl)c1	858463	AURDTYRBLQZZBC-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
FC(F)CSc1nc2ccc(Cl)cc2o1	112770534	MGSSNDVOPRDXGQ-UHFFFAOYSA-N	249.669	3.838	0	50	BHAA	
CC(C)n1cc(C=O)c2c(C3CC3)cccc21	140779196	JGDMTBYOUCORSJ-UHFFFAOYSA-N	227.307	3.912	0	50	BHAA	
FC(F)(F)c1ccc2c(S)ccnc2c1	56490	DBWDEWRMEKXOFI-UHFFFAOYSA-N	229.226	3.542	0	50	BHAA	
Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)c1	514582	FRGDTRFWFMUCKZ-KBPBESRZSA-N	245.366	3.707	0	50	BHAA	
Cc1cc(C(=O)Nc2ccc(F)cc2C)cs1	1053873	MUNIDLZYEUSQHK-UHFFFAOYSA-N	249.310	3.756	0	50	BHAA	
CC(C)C(=O)OC(C)(C)CCc1ccccc1	1850772	WCEXWNUHYPYHDN-UHFFFAOYSA-N	234.339	3.597	0	50	BHAA	endogenous,in-man
c1csc(CNC2CCCCCCC2)c1	5019439	AYAJDXFMBLNTBK-UHFFFAOYSA-N	223.385	3.951	0	50	BHAA	
CCC[C@H](C)n1ncc2[nH]c([C@H](C)CC)nc21	55568676	YKXXXVCJKKMGLS-ZJUUUORDSA-N	234.347	3.634	0	50	BHAA	
CC(C)Oc1ccc(-c2ncc[nH]2)cc1Cl	67587742	WPBHCZCYYSRWSL-UHFFFAOYSA-N	236.702	3.517	0	50	BHAA	
O=C(Cc1ccccc1)Nc1ccccc1Cl	94931	KAIXZODWVKLCBD-UHFFFAOYSA-N	245.709	3.521	0	50	BHAA	
C[C@H](NC(=O)Nc1ccccc1)c1ccccc1	244946	ABMVKTZVISYDNS-LBPRGKRZSA-N	240.306	3.569	0	50	BHAA	
Cc1ccccc1-c1noc(-c2cccs2)n1	448755	GPVXOJUYRZPKDT-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
CC1=CCC[C@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1	253636383	KDPFMRXIVDLQKX-STQMWFEESA-N	236.355	3.553	0	50	BHAA	biogenic,in-vitro
Cc1ccc(NCc2cccs2)cc1	498951	PDNXNLGGICRAGY-UHFFFAOYSA-N	203.310	3.669	0	50	BHAA	in-vitro
CC(C)(C)CC(C)(C)c1ccc(O)cc1O	1672920	YQOJNENEFSZINP-UHFFFAOYSA-N	222.328	3.812	0	50	BHAA	in-vitro
CCCCc1ccc([C@@H]2C[C@@H]2C(=O)OCC)cc1	2731936	DAKCGYYTKMEBBB-GJZGRUSLSA-N	246.350	3.696	0	50	BHAA	
Fc1cccc2ncc(Cl)c(Cl)c12	585672397	MITGVJAEBRDIDG-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	
COc1ccc(CNc2cc(C)cc(C)c2)cc1	351953	VPXNMWFNRXLZIJ-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1)C1CCCCC1	383453	RVJKIPFPMXENNO-UHFFFAOYSA-N	237.730	3.859	0	50	BHAA	
Cc1ccc2[nH]c(-c3ccncc3)cc2c1	507751	GTXHGLPALVSBRX-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	
Cc1ccc(C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1	514821	ANWCQZXNIMBISV-KBPBESRZSA-N	245.366	3.707	0	50	BHAA	
Cc1c(C(=O)c2ccccc2)n(C)c2ccccc12	1164171	CHOBIAXHSODUNJ-UHFFFAOYSA-N	249.313	3.718	0	50	BHAA	
c1ccc2c(c1)Cc1c-2[nH]c2ccccc12	1721888	BMGLVVNENOOPFC-UHFFFAOYSA-N	205.260	3.739	0	50	BHAA	
COC(=O)c1ccc(-c2ccc(C)cc2)s1	4269243	CMVNPQABPHBXIY-UHFFFAOYSA-N	232.304	3.510	0	50	BHAA	
CC[C@@H](NC(=O)C1CCCC1)c1ccc(C)cc1	6731305	MGWXDNLELKPYNN-OAHLLOKOSA-N	245.366	3.753	0	50	BHAA	
CCCCCCC(=O)c1cccc(OC)c1	34265529	FIRIFBOVXOXLTG-UHFFFAOYSA-N	220.312	3.848	0	50	BHAA	
Oc1cc(Br)cc(-c2ccccc2)c1	34623242	JCQWHMKUEMXGQC-UHFFFAOYSA-N	249.107	3.822	0	50	BHAA	
Clc1ccc(Br)c2cc[nH]c12	40435215	ABBUZRXDYLQKRH-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
COC(=O)c1cc(-c2ccccc2)ccc1Cl	74938333	UERIBTLVWAUSAH-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	in-vitro
CC[C@H](C)CN(Cc1ccco1)Cc1ccco1	170659231	HIFMGSBZAVQTMI-ZDUSSCGKSA-N	247.338	3.921	0	50	BHAA	
Nc1ccccc1/N=C/c1ccc(Cl)cc1	217395975	DIIRKTSAGFCCOU-CXUHLZMHSA-N	230.698	3.673	0	50	BHAA	
Fc1ccc(Cl)c(OC(F)F)c1Cl	263623052	DGDIEOFTWYHHLC-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Clc1ccc2c(c1)c1c3c(nccn32)CCC1	240767	IOKYPBGVDWIJMZ-UHFFFAOYSA-N	242.709	3.630	0	50	BHAA	
CCCC(=O)Nc1cccc(Cl)c1Cl	362523	LCTHTGUAAXGZKJ-UHFFFAOYSA-N	232.110	3.732	0	50	BHAA	
CC(=O)c1cccc(Oc2ccccc2)c1	2010452	FZCDBGYCFVKRDV-UHFFFAOYSA-N	212.248	3.682	0	50	BHAA	
CC(C)Oc1ncc(C(F)(F)F)cc1Cl	3270661	BOSGPYRRGTWZSY-UHFFFAOYSA-N	239.624	3.541	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccc(C)cc2F)c1	15314081	KHYDDNNUUGRVGV-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CC(C)c1csc(-c2cccc(O)c2F)n1	725270572	MNSMBEGDYVCBHZ-UHFFFAOYSA-N	237.299	3.778	0	50	BHAA	
CSC(=O)C(c1ccccc1)c1ccccc1	337832	OQENELYINQJVJJ-UHFFFAOYSA-N	242.343	3.708	0	50	BHAA	
CCN(CC)C(=O)Nc1ccc(C(C)C)cc1	392885	JURQACMECYFIJA-UHFFFAOYSA-N	234.343	3.684	0	50	BHAA	
CCc1cccc(NC(=O)Nc2ccccc2)c1	475898	LWIGBLFQLGIJTG-UHFFFAOYSA-N	240.306	3.893	0	50	BHAA	
CCCNC(=O)Nc1cccc(Cl)c1Cl	2171143	RJSLEVJKXYVDGE-UHFFFAOYSA-N	247.125	3.525	0	50	BHAA	
CCOc1ccccc1N1Cc2ccccc2C1	2486694	ZHSFHLPWINXFLO-UHFFFAOYSA-N	239.318	3.606	0	50	BHAA	aggregator
Clc1nc(-c2ccccc2)c2ccccc2n1	4071044	SFKMVPQJJGJCMI-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	in-vitro
Cc1cccc2sc(C(=O)O)c(Cl)c12	12505806	GAPFLTQPRZZYET-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	in-vitro
CCCCc1ccc(C(=O)N2CCCCC2)cc1	16604903	HYVFLALLBRHLAL-UHFFFAOYSA-N	245.366	3.655	0	50	BHAA	
COc1cc2c(cc1N)C(C)(C)CCC2(C)C	38221749	ABKXDOMMAKFRNB-UHFFFAOYSA-N	233.355	3.626	0	50	BHAA	
COc1ccc(C)cc1N[C@H]1CCC[C@H](C)C1	439034	QKIMPGNKKYHZLZ-AAEUAGOBSA-N	233.355	3.994	0	50	BHAA	
CC(C)NCc1ccc(-c2ccccc2F)o1	10436236	BHOZJHHTZYFPGC-UHFFFAOYSA-N	233.286	3.584	0	50	BHAA	
Clc1nccc2scc(Br)c12	38540284	FXIKIVFBAQCMRY-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
COc1ccc([C@H](C)Nc2ccc(C)nc2)cc1	154260291	OZIWIOLTDFMMKM-LBPRGKRZSA-N	242.322	3.572	0	50	BHAA	
COc1cncc(-c2c(F)cccc2Cl)c1	725270430	KYFPSMNTOUAEKX-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
CC(C)S[C@@H]1CC(=O)CCC12CCCC2	725360448	HYGRVHDHYUOXMO-GFCCVEGCSA-N	226.385	3.810	0	50	BHAA	
Fc1ccc(Nc2ncnc3ccccc23)cc1	132646	LXIVRQQISZPNPL-UHFFFAOYSA-N	239.253	3.513	0	50	BHAA	
Cc1ccc(NC(=O)Oc2ccccc2)c(C)c1	395406	BDBUJVLBGZYZBM-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
CCCCCC[C@H](CCCC)C(=O)O	2012342	OARDBPIZDHVTCK-NSHDSACASA-N	200.322	3.848	0	50	BHAA	in-vitro
CN(C)[C@@H]1CC2c3ccccc3C1c1ccccc12	3128020	HUKGTWSKXZFLIC-LXPRWKDFSA-N	249.357	3.598	0	50	BHAA	
Cc1cccc(-c2nc(C3CCCC3)n[nH]2)c1F	132025745	XLUHGPRWRKCCLC-UHFFFAOYSA-N	245.301	3.577	0	50	BHAA	
CC(C)(C)c1ccc2[nH]c(/C=C/C(=O)O)cc2c1	222493813	TYEJILZKGQUNFZ-FNORWQNLSA-N	243.306	3.563	0	50	BHAA	
Cc1ccc(C(=O)c2ccccc2Cl)cc1	345525	WIKUXHHNKRKVGJ-UHFFFAOYSA-N	230.694	3.879	0	50	BHAA	in-vitro
CC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1	401784	NHTBNSMGEKNNIR-UHFFFAOYSA-N	246.137	3.978	0	50	BHAA	
CO[C@H](C)OCC[C@H](C)CCC=C(C)C	2166735	YSABATHBMSLQLP-OLZOCXBDSA-N	214.349	3.768	0	50	BHAA	
COc1ccc(CNc2ccccc2Cl)cc1	19942526	RFAAXJJMIANGOU-UHFFFAOYSA-N	247.725	3.961	0	50	BHAA	
CC1O[C@H]2c3ccccc3-c3ccccc3[C@@H]2O1	43214962	VRYLVKXWBJOCBU-HOTGVXAUSA-N	238.286	3.842	0	50	BHAA	
Cc1ccc(C)c(NC(=O)Oc2ccccc2)c1	396731	QSPJNINDDPSNLJ-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
COc1ccc(C(=O)c2cccc(C)c2)cc1C	2006768	BWPYBAJTDILQPY-UHFFFAOYSA-N	240.302	3.543	0	50	BHAA	in-vitro
S=c1ssc(Cl)c1Cl	12341134	YFFQMIVUPGFPBF-UHFFFAOYSA-N	203.140	3.846	0	50	BHAA	
CCOC1=N[C@]23CC=CC[C@@]12CCCCCC3	71785348	SWTLCXVJRROOMT-LSDHHAIUSA-N	233.355	3.864	0	50	BHAA	
COc1cc(SC)ccc1NCc1ccco1	194497544	SKHZBNHATBDTKA-UHFFFAOYSA-N	249.335	3.622	0	50	BHAA	
Fc1cc(C(F)F)cc(Br)c1F	217463652	HMCQOQMUYAZPHM-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
Fc1cc(Br)cc(C(F)F)c1F	263623740	KHTZAJNMXQBVFD-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
Cc1cccc(C)c1NC(=O)c1ccc(F)cc1	60032	PPHAWSMBIZATSI-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
O=Cc1ccccc1OCc1cccc(Cl)c1	117151	MENPASVPECUNNR-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	
C[C@H](CCCC(C)(C)O)NC1CCCCCC1	227524	ROHUHIWEOOVMEQ-CYBMUJFWSA-N	241.419	3.629	0	50	BHAA	
Cc1ccc(C(=O)c2cccc(C)c2)cc1	2560075	YMDBXBBWNOELNV-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	biogenic
CC1=CC(C)=N/C1=C/C=C/c1[nH]c(C)cc1C	25724676	YGFACZZMDKBKBF-CSNJMMPQSA-N	226.323	3.949	0	50	BHAA	
Cc1cc(S)c(Cl)cc1Br	71792228	UONSYPNBQIZMLA-UHFFFAOYSA-N	237.549	3.700	0	50	BHAA	
Cc1cccc(NCc2ccsc2)c1F	132534267	BNZQXDOABQXDAP-UHFFFAOYSA-N	221.300	3.808	0	50	BHAA	
CCCC(=O)c1cc([C@@H](C)CC)ccc1O	232354878	DHFWKBWDBGABHK-JTQLQIEISA-N	220.312	3.889	0	50	BHAA	
Cc1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1	426428928	SDEXDAPPKJEXKM-OAHLLOKOSA-N	242.322	3.558	0	50	BHAA	
Nc1ccc2oc(-c3ccccc3Cl)nc2c1	123008	SXJBTOIBTRGZPB-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
Cc1ccc(C(F)(F)F)c(Br)c1	66329400	ILHMYYRIQKCMIZ-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
Cc1nc(-c2c[nH]c3c(C)cccc23)ccc1O	2356147820	QSSDBHCSQZYCAW-UHFFFAOYSA-N	238.290	3.552	0	50	BHAA	
FC(F)(F)c1cc(-c2cccc(Cl)c2)[nH]n1	43463626	TWUOPOKOMYCMSV-UHFFFAOYSA-N	246.619	3.749	0	50	BHAA	
CCCCOc1ccc(O)c(OCCCC)c1	221409445	HNCLKQFJGBPYIX-UHFFFAOYSA-N	238.327	3.750	0	50	BHAA	
C=Cc1ccc(Br)c(Cl)c1	236035898	RLUSNAAVDCMDLN-UHFFFAOYSA-N	217.493	3.746	0	50	BHAA	
CN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1	55347	REPRLCRXMJXHAW-AUWJEWJLSA-N	234.302	3.685	0	50	BHAA	biogenic,in-vitro
Cc1[nH]c(=S)[nH]c1C12CC3CC(CC(C3)C1)C2	3900100	JBTOPOAPBJMCRU-UHFFFAOYSA-N	248.395	3.849	0	50	BHAA	
Cc1ccc2c(c1)-c1nc(=S)[nH]cc1CS2	5750728	RXSNAQZRAYFRHK-UHFFFAOYSA-N	246.360	3.720	0	50	BHAA	
S=c1[nH]nc(-c2ccccc2)n1C1CCCC1	5999782	IJPWICYSHKNCCL-UHFFFAOYSA-N	245.351	3.723	0	50	BHAA	
c1coc(CN2CCCCc3ccccc32)c1	225416606	BBUZMCDPSOWJDN-UHFFFAOYSA-N	227.307	3.623	0	50	BHAA	
COc1cc(Cl)cc(OC(F)F)c1Cl	263622894	BTVSVUPIYVVFTR-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
O=Cc1cc2c(c3ccccc13)CCCC2	1757223	WTRORBBEISGIGT-UHFFFAOYSA-N	210.276	3.531	0	50	BHAA	
CCSc1ccc([C@@H](O)c2ccccc2)cc1	4255829	MCYRBDHJDGBUQW-HNNXBMFYSA-N	244.359	3.880	0	50	BHAA	
c1ccc(Nc2ccnc3ccccc23)cc1	5331864	NRTUTGBOQZQBMB-UHFFFAOYSA-N	220.275	3.978	0	50	BHAA	
Cc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C	6725662	LUDSGWSRADYFNT-OCCSQVGLSA-N	246.354	3.695	0	50	BHAA	
C[C@@H]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C	170622381	GOUVYWSJTHVZQD-NFAWXSAZSA-N	249.398	3.818	0	50	BHAA	
Cc1cc2c(C)nc(-c3ccccc3)nc2o1	218326	BVRDDGBKFXWGMO-UHFFFAOYSA-N	224.263	3.507	0	50	BHAA	
CC(C)Nc1nc(-c2cccs2)cs1	406580	WGJOZHDPQHVHMH-UHFFFAOYSA-N	224.354	3.692	0	50	BHAA	
CC[C@H](O)CC[C@]1(C)CCC(C)=C[C@@H]1C	3881999	SUQHUQJFQPNSCG-IHRRRGAJSA-N	210.361	3.920	0	50	BHAA	biogenic
Cc1cc(-c2cc(C(=O)O)ccc2F)ccc1F	65350107	GTBMSYYTCWCQDO-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
Cc1cccc2c(-c3ccc(O)c(F)c3)c[nH]c12	67743332	LCRRPGZZGUNOEJ-UHFFFAOYSA-N	241.265	3.988	0	50	BHAA	
CC[C@@H](C(=O)N1CCCCCC1)c1ccccc1	30743	BRWWWBHMBLHHBE-OAHLLOKOSA-N	245.366	3.583	0	50	BHAA	
CCc1ccccc1NC(=O)c1ccccc1F	237517	KLZLMRVSHAFBKO-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
FC(F)(F)Oc1ccc(C(F)(F)F)cc1	2556418	PNJSCLOFYSBUMK-UHFFFAOYSA-N	230.107	3.604	0	50	BHAA	in-vitro
CC(C)c1ccc(OCCN2CCCCC2)cc1	5023788	CPCTZAFMZLICTH-UHFFFAOYSA-N	247.382	3.675	0	50	BHAA	
Fc1cccc(Cl)c1NCc1nccs1	135243354	WEUKUWXFYGUERZ-UHFFFAOYSA-N	242.706	3.548	0	50	BHAA	
CCCCN1CC(C)(C)[C@H]1c1cccs1	241121900	JEQCWNDZTTVXDN-GFCCVEGCSA-N	223.385	3.931	0	50	BHAA	
O=C(c1cc2ccccc2o1)c1cccs1	50616	MBFQKZLYHWGGDK-UHFFFAOYSA-N	228.272	3.725	0	50	BHAA	
COc1ccc(CN2CCCCCC2)c(C)c1C	240009	XRJDYIVGHNOQNU-UHFFFAOYSA-N	247.382	3.688	0	50	BHAA	
O=C(CCCCN1CCCCC1)c1ccccc1	1621782	GWUYQKPGTWRLGK-UHFFFAOYSA-N	245.366	3.526	0	50	BHAA	
CCCCCOc1ccc2c(C)cc(=O)oc2c1	1748810	KXVYRJHHMYXGEP-UHFFFAOYSA-N	246.306	3.670	0	50	BHAA	biogenic
Fc1cc(Br)cc(Cl)c1S	36533081	TZHCLCVIAJSRHL-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
NC[C@H](CCCc1ccccc1)c1ccccc1	57698424	AZUGCMCIOSZPOB-KRWDZBQOSA-N	239.362	3.752	0	50	BHAA	
CC(C)(C)C(=O)c1ccc(O)c2ccccc12	129735662	CHQPDJZXMJCHDD-UHFFFAOYSA-N	228.291	3.774	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)CC1CCC1	173056008	GDHWZMFETWSXAT-UHFFFAOYSA-N	237.730	3.777	0	50	BHAA	
CCCCOc1cc(F)ccc1-c1cnc(C)[nH]1	534648198	KXTDZNHBVNOFRV-UHFFFAOYSA-N	248.301	3.703	0	50	BHAA	
CSc1cccc(-c2nccn2C2CC2)c1	1875248638	CWILFWDHDGNBBW-UHFFFAOYSA-N	230.336	3.607	0	50	BHAA	
COc1c(C(C)C)cc(N)cc1C(C)C	90681	SPIHOBSWIOXHBU-UHFFFAOYSA-N	207.317	3.524	0	50	BHAA	
Cc1cc2ncc(-c3ccccc3)nc2cc1C	257983	FQNCLVJEQCJWSU-UHFFFAOYSA-N	234.302	3.914	0	50	BHAA	in-vivo
CC(C)NC(=O)Nc1ccc(Cl)c(Cl)c1	396210	RZQPXSLCCNNRHE-UHFFFAOYSA-N	247.125	3.523	0	50	BHAA	
C[C@H](NC(=O)Nc1ccccc1)c1cccs1	909600	AVXSCMMPYVDWQV-JTQLQIEISA-N	246.335	3.631	0	50	BHAA	
O=C(Nc1ccccc1F)Nc1ccccc1F	4539219	YZTVVIUSZRIQQK-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CCc1ccc(C(=O)Nc2ccccc2F)cc1	4841103	DWXWTDWAJVHBQZ-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
CC[C@H]1CCCCN1Cc1c(F)cccc1F	4996369	HWIGOOOMPYTLQZ-NSHDSACASA-N	239.309	3.729	0	50	BHAA	
CCNCc1ccc(-c2ccccc2Cl)o1	6747600	METXPMNXLCHFES-UHFFFAOYSA-N	235.714	3.710	0	50	BHAA	
Cc1ccc2c(c1)c1cccc3c1n2CCN3	15724338	HMWVDUBALPJAAF-UHFFFAOYSA-N	222.291	3.528	0	50	BHAA	
Cc1ccc(NCCCc2ccccc2)c(N)c1	22063587	YMFNPBSZFWXMAD-UHFFFAOYSA-N	240.350	3.622	0	50	BHAA	in-vitro
Cc1cc(Cl)cc(Br)c1F	65356436	ZULRYKNSOMUWPN-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
FC(F)(F)c1ccc2ccnc(Cl)c2c1	85386206	IDLZWSXTPUMLMP-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
c1ccc(C2=NN=C(c3ccccc3)[C@@H]3C[C@@H]23)cc1	101044187	NSZKAWDFECVDTH-HUUCEWRRSA-N	246.313	3.530	0	50	BHAA	
CC(=O)OCc1cccc(-c2ccc(C)cc2)c1	263619031	WONHPHQBIZYLRF-UHFFFAOYSA-N	240.302	3.725	0	50	BHAA	in-vitro
Cc1nc2cc(-c3ncccc3F)ccc2s1	1241541220	NGDZTFHSPGCKFW-UHFFFAOYSA-N	244.294	3.806	0	50	BHAA	
O=C(Nc1cccc(F)c1)c1ccccc1Cl	91562	LXSDSUPJBWMVAR-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
Cc1cc(-c2ccc(C(=O)O)cc2F)ccc1F	49840844	NUQVQUHKAMKXRD-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
C[C@H](/C=C/Br)c1ccccc1	137851586	HOSFCNKKWFRZGG-FCZSHJHJSA-N	211.102	3.699	0	50	BHAA	
CC[C@@H]1C=CCN1Cc1ccc(SC)cc1	952861443	GGBMMQVHQVKXTH-CYBMUJFWSA-N	233.380	3.559	0	50	BHAA	
Cc1nc(-c2ccccc2Cl)cs1	144898	ATVDZANKURJFKL-UHFFFAOYSA-N	209.701	3.772	0	50	BHAA	in-vitro
O=Cc1ccccc1Sc1ccccc1	35287383	GYDSXMPGWUNZJC-UHFFFAOYSA-N	214.289	3.650	0	50	BHAA	in-vitro
Clc1nc2cc(Br)ccc2s1	40845001	CQHUAYKIQCBOKY-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
C=Cc1ccc(-c2ccc(C=O)c(F)c2)cc1	725241242	FVJSAUKAQKQASV-UHFFFAOYSA-N	226.250	3.948	0	50	BHAA	
CCN(CC)CCCOc1c(C)cc(C)cc1C	2903552	NFUFDDGHVACFHA-UHFFFAOYSA-N	249.398	3.723	0	50	BHAA	
Cc1csc2c(Cl)cc(Cl)nc12	91691373	FFSJSUBADRUOBW-UHFFFAOYSA-N	218.108	3.912	0	50	BHAA	in-vitro
CC(C)COc1ccc(F)c(Br)c1	137558390	BIHISJZEIVGSRV-UHFFFAOYSA-N	247.107	3.623	0	50	BHAA	
Fc1cc(Br)cc(Cl)c1Cl	63339636	NWRZTOGDTNCJHP-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	
CO[C@@H](C)c1ccc(-c2c[nH]nc2C2CC2)cc1	426628196	JHJAWUAIRGEPGJ-JTQLQIEISA-N	242.322	3.662	0	50	BHAA	
O[C@H](c1ccccc1)c1ccc(Cl)c(F)c1	4242476	IHXGOBHUOPVANK-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	
Cc1cc(C)c(-c2cc(C)cnc2N)c(C)c1	65528528	ZNUVBMLUMPHAAK-UHFFFAOYSA-N	226.323	3.564	0	50	BHAA	
CN(C)C(C)(C)C(C)(C)Cc1ccccc1	96026987	OIHANLXARUIATE-UHFFFAOYSA-N	219.372	3.596	0	50	BHAA	
O=Cc1sccc1-c1cc(F)ccc1F	675069539	IDMCSRQGNLTXSI-UHFFFAOYSA-N	224.231	3.506	0	50	BHAA	
CC(C)(C)c1ccc(C(=O)C(F)(F)F)cc1	2378554	JGHXRQPPRZMKDB-UHFFFAOYSA-N	230.229	3.729	0	50	BHAA	in-vitro
Cc1cc2ccccc2nc1-c1cccc(O)c1	65434080	MQAGLIXOOJMBLI-UHFFFAOYSA-N	235.286	3.916	0	50	BHAA	
Cc1cc(C=O)c(Cl)nc1-c1ccccc1	90668815	UYPSBTYRVUBXES-UHFFFAOYSA-N	231.682	3.523	0	50	BHAA	in-vitro
C[C@H]1Nc2ccccc2N=C1c1ccccc1	219037698	NTZQTKGPRPAFNW-LLVKDONJSA-N	222.291	3.621	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@]13[C@H]4CC[C@@H](C4)[C@H]1CC[C@H]23	257355525	BBFNGMXFOXPNBH-NFTPKYJWSA-N	244.378	3.818	0	50	BHAA	
CCCCCOC(=O)OCCCCC	1586325	HSNQKJVQUFYBBY-UHFFFAOYSA-N	202.294	3.520	0	50	BHAA	
CCN(CC)CCCCOc1ccc(C)c(C)c1	2494461	DPMLMBNTBZDVSC-UHFFFAOYSA-N	249.398	3.804	0	50	BHAA	
Cc1ccc(C)c([C@H](C)NC(=O)C(C)(C)C)c1	42671479	XNVPBYWMWNQWDN-LBPRGKRZSA-N	233.355	3.527	0	50	BHAA	
O=Cc1ccc(-c2cc(F)cc(F)c2)c(F)c1	98087489	BNIFVZNUYYQLIT-UHFFFAOYSA-N	236.192	3.583	0	50	BHAA	
CC1=NN=C(C)c2ccccc2-c2ccccc21	4557406	MPFJFOYNFUQFNY-UHFFFAOYSA-N	234.302	3.900	0	50	BHAA	
CCc1ccc(Br)c(Cl)c1	113414603	FEBBVYICKVSRRM-UHFFFAOYSA-N	219.509	3.665	0	50	BHAA	
CC[C@@H](C)SCCC(=O)c1ccccc1	130800786	XXEOTFWPCSWHEB-LLVKDONJSA-N	222.353	3.791	0	50	BHAA	
C[Si](C)(C)C1([C@H](O)C2CCCCC2)CC1	169829248	JLMAAXBMLDZIDL-GFCCVEGCSA-N	226.436	3.800	0	50	BHAA	
COc1cnccc1-c1ccc(OC(C)C)cc1	1239960458	PXHBEQPEBUNUPR-UHFFFAOYSA-N	243.306	3.544	0	50	BHAA	
CC1(C)CCC(C)(C)c2cc(C=O)ccc21	12370189	RRAGXXOTEICTAF-UHFFFAOYSA-N	216.324	3.848	0	50	BHAA	
CC(C)CC(=O)c1cc(C(C)(C)C)ccc1O	110161350	HAIDFFWCMDGCTE-UHFFFAOYSA-N	234.339	3.919	0	50	BHAA	
O=Cc1ccc(OCc2ccc(Cl)cc2)cc1	102393	LYEQERPOWVBIQS-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
Cc1ccc(C(=O)Nc2ccccc2C)cc1	127866	JDIPYYKXEQMLHL-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)c1ccccc1F	139721	ACCUIVLHACNVHQ-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
Cc1cc(C)c(NC(=O)C(C)(C)C)c(Cl)c1	145387	VAQLIIYRGILROZ-UHFFFAOYSA-N	239.746	3.941	0	50	BHAA	
Cc1nc2cc(C(F)(F)F)ccc2s1	344699	XXIOZBPOLWETSU-UHFFFAOYSA-N	217.215	3.624	0	50	BHAA	
CC[C@H](C)SCc1nc2ccccc2[nH]1	459996	RRYWOQQYUUCKJK-VIFPVBQESA-N	220.341	3.595	0	50	BHAA	
CCc1ccc(NC(=O)N2CCCC[C@H]2C)cc1	6725741	MNYCXYOFXVYTTL-GFCCVEGCSA-N	246.354	3.655	0	50	BHAA	
CC(C)(C)COc1cccc(Br)c1	41288102	DLBVPHSNXXQEOE-UHFFFAOYSA-N	243.144	3.874	0	50	BHAA	in-vitro
CC1=C[C@@H]2CC(C)(C)C[C@@]23[C@@H](C)CC(=O)[C@@H]13	71786070	ZWLCLLFZJIEGQO-FMVNMVDZSA-N	218.340	3.594	0	50	BHAA	
C[C@@H]1CCC(=O)C[C@H]1Sc1ccccc1	207756355	DUTUEUMDWDCSMC-ZWNOBZJWSA-N	220.337	3.536	0	50	BHAA	
Fc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1	236207256	MXAHUTQJHIBFAU-YNEHKIRRSA-N	248.345	3.992	0	50	BHAA	
O=C(Nc1ccccc1)c1ccc(Cl)cc1	389726	SFHDVPIEJXCMBP-UHFFFAOYSA-N	231.682	3.592	0	50	BHAA	in-vitro
Cc1ccc(Cl)c(NC(=O)c2ccccc2)c1	409227	GMBRRDISFVFICJ-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
Cc1ccn2cc(-c3ccccc3Cl)nc2c1	433062	RJYQSEBSQUKDIV-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	
CN(C(=O)OC(C)(C)C)c1ccc(Cl)cc1	149618352	FWPDSDFBJXPMEL-UHFFFAOYSA-N	241.718	3.711	0	50	BHAA	
Fc1cc(Cl)c(OC(F)F)cc1Cl	263623058	DIGAMRXNZPOESB-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Fc1ccc(-c2ccc(F)c(F)c2F)cc1	725271995	LKKADSJTQBOVHL-UHFFFAOYSA-N	226.172	3.910	0	50	BHAA	
CC(C)(C)c1ccc2[nH]c3c(c2c1)CCCC3=O	52140	KATUXDKZWCFKBJ-UHFFFAOYSA-N	241.334	3.984	0	50	BHAA	
Cc1nc(-c2ccc(Cl)cc2)cs1	76749	FOCILOSWFFTFNL-UHFFFAOYSA-N	209.701	3.772	0	50	BHAA	in-vitro
CCc1cccc(C)c1NC(=O)c1ccoc1C	442502	AUBSCNVKTOJWKX-UHFFFAOYSA-N	243.306	3.711	0	50	BHAA	
CC[C@@H](C)NCCOc1cc(C)cc(C(C)C)c1	2823666	GKXFLDGFEBQJNO-CQSZACIVSA-N	249.398	3.885	0	50	BHAA	
Cc1ccc([C@@H](CC(=N)O)c2ccco2)cc1	4318591	HAVMGYMMQGJJBT-GFCCVEGCSA-N	229.279	3.645	0	50	BHAA	
Fc1cccc(C(F)F)c1Br	112731810	BRIPPFBRTQDCPT-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	
CC1(C)CCc2ccc(Br)cc21	116896453	XTSAEIQNMRIQAS-UHFFFAOYSA-N	225.129	3.673	0	50	BHAA	
O=Cc1cc(C2CCCCC2)cc(Cl)c1O	155406	JLNRHGFUCPRGPY-UHFFFAOYSA-N	238.714	3.906	0	50	BHAA	
c1ccc(-c2ccc3c(n2)CCCC3)cc1	38293357	TYDLLLIJBOGWJA-UHFFFAOYSA-N	209.292	3.627	0	50	BHAA	
Cc1cc(Br)cc(F)c1Cl	149608084	RQJDNCWXAJGXTK-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12	1720087	IOLWBDDQDKVRIE-WWDZGPRUSA-N	248.325	3.873	0	50	BHAA	
CCc1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1	3675273	GKJUYKZVUHMQKI-UHFFFAOYSA-N	229.323	3.840	0	50	BHAA	in-vitro
CN[C@H](C)CC(c1ccccc1)c1ccccc1	6036150	BYWYKUFIAOQZIV-CQSZACIVSA-N	239.362	3.817	0	50	BHAA	
Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)c(C)n1	20324774	ONCHTJQXLXGFJV-UHFFFAOYSA-N	249.317	3.756	0	50	BHAA	
Cc1ccc([C@H](C)CCN2CCCC[C@@H]2C)o1	22077732	VETYRGYMDFMOAY-OLZOCXBDSA-N	235.371	3.956	0	50	BHAA	
O[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	37464465	JCIWCQYNVZQYRV-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	in-vitro
Fc1ccc(Br)c(F)c1C(F)F	95147713	HFRAXUVXGSVZAR-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
CCOc1ccc(C(F)(F)F)cc1Cl	95733741	VEIWVOQGNYGRLO-UHFFFAOYSA-N	224.609	3.758	0	50	BHAA	
Cc1ccc(C)c(NC(=O)Cc2cccs2)c1	444036	ICZMJQOUMRPUPC-UHFFFAOYSA-N	245.347	3.546	0	50	BHAA	
Oc1ccc(-c2cc3ccccc3[nH]2)cc1	37632465	BQWAJIFVKAXHCO-UHFFFAOYSA-N	209.248	3.541	0	50	BHAA	in-vitro
Cc1ccc(C)n1Cc1ccc2cc[nH]c2c1	328578051	QGYAQDKWQUSQRF-UHFFFAOYSA-N	224.307	3.635	0	50	BHAA	
CC[C@H](C(=O)O)C1CCC(C(C)C)CC1	685951469	KUPZURDMKSHJCH-MCIGGMRASA-N	212.333	3.560	0	50	BHAA	
COc1ccccc1-c1nc(C(C)(C)C)co1	1616037949	IUCXPTOVHKHPCF-UHFFFAOYSA-N	231.295	3.648	0	50	BHAA	
Cc1ccc([C@@H](C)NC(=O)C2CCCC2)c(C)c1	6726635	OMIRGCIRVHGDRY-CYBMUJFWSA-N	245.366	3.671	0	50	BHAA	
Nc1ccc(-c2ccccc2)c(Cl)c1	32002770	YDYUIJXAGCGIKW-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
CSc1ccc(-c2ccc(C=O)c(O)c2)cc1	65341909	UOFAWYROSONALA-UHFFFAOYSA-N	244.315	3.594	0	50	BHAA	in-vitro
c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1	357198	XSJAMRUTJCSRNB-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
COc1cc2ccccc2cc1[C@H]1CCCCN1	2545043	PTGITDOOISCMOK-OAHLLOKOSA-N	241.334	3.663	0	50	BHAA	
CC(=S)Nc1ccc2ccccc2c1	5566193	NIZWXLJNRXYZBR-UHFFFAOYSA-N	201.294	3.599	0	50	BHAA	
Cc1ccc(C)c(NC(=O)C2CCCCC2)c1	362827	LLNDZBDVFSFHKL-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
Cc1cccc(OCCCCNC(C)(C)C)c1	2900246	ZWWAQWJSPCGFNH-UHFFFAOYSA-N	235.371	3.542	0	50	BHAA	
Cc1ccc(C)c([C@@H](C)NC(=O)C2CCCC2)c1	6700058	UQKNSTVJSIFTKO-CYBMUJFWSA-N	245.366	3.671	0	50	BHAA	
CCC[C@H](C)c1nc2c(cnn2[C@@H](C)CC)[nH]1	48319787	SJNDTDOHMIFOEI-UWVGGRQHSA-N	234.347	3.634	0	50	BHAA	
c1cc(-c2nccn2C2CCC2)c2cccnc2c1	71589521	FKXRBLBXOWUIQT-UHFFFAOYSA-N	249.317	3.823	0	50	BHAA	
FC(F)(F)C(F)(F)c1cccc(Cl)c1	91675833	KAKKMAHHSVWELB-UHFFFAOYSA-N	230.563	3.994	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1Oc1ccc(CCCO)cc1	584907169	ZIKTUEUPTXROBT-CJNGLKHVSA-N	248.366	3.569	0	50	BHAA	
Cc1ccc(-c2nc3ccccc3[nH]2)cc1	133615	YJSWQFYMPODDTQ-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	in-vitro
OCc1ccc(-c2ccc(Cl)c(Cl)c2)o1	523638	KTLBKWDGIJCOCV-UHFFFAOYSA-N	243.089	3.746	0	50	BHAA	
Cc1cc(C(C(F)(F)F)C(F)(F)F)c(C)[nH]1	2519518	BSFATKHECVABPF-UHFFFAOYSA-N	245.166	3.840	0	50	BHAA	
Oc1ccc(-c2onc3ccc(Cl)cc23)cc1	3346360	KWJLIVYSOHTHDR-UHFFFAOYSA-N	245.665	3.854	0	50	BHAA	in-vitro
Clc1nccc2sc(Br)cc12	35269834	QPGCPWZFCLBFCG-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1C	100290396	XWNRRQLMVZNGGR-ZIAGYGMSSA-N	243.350	3.678	0	50	BHAA	
Cc1cc(C)cc(NCc2ccco2)c1	243733	PJKRWOZRBSCAQJ-UHFFFAOYSA-N	201.269	3.509	0	50	BHAA	
Cc1cc(C)[n+](-c2cccc(C)c2C)c(C)c1	2519821	TYWIRMONXBBCJP-UHFFFAOYSA-N	226.343	3.505	0	50	BHAA	
COc1cccc(C(=O)c2ccc(Cl)cc2)c1	2574650	ITRZDZXWSBXUFZ-UHFFFAOYSA-N	246.693	3.580	0	50	BHAA	
Cc1cccc(C(=O)c2cc(F)cc(F)c2)c1	4255220	VNHULHAVAVOBQA-UHFFFAOYSA-N	232.229	3.504	0	50	BHAA	
CCc1cccc(C)c1NC(=O)OC(C)(C)C	7610513	OGVZYMMKCAHSRE-UHFFFAOYSA-N	235.327	3.904	0	50	BHAA	
CC(C)CCCCc1ccc(C(=O)O)cc1	71773706	KKGMALOYWVSHNU-UHFFFAOYSA-N	220.312	3.754	0	50	BHAA	
CCC[C@@H](O)c1ccc(-c2c(C)n[nH]c2C)cc1	426497022	PDPXETJUWMKQOQ-CQSZACIVSA-N	244.338	3.527	0	50	BHAA	
Cc1cccc(OC(=O)c2ccc(F)cc2)c1C	364805	GSVNCKWQUYJPRD-UHFFFAOYSA-N	244.265	3.662	0	50	BHAA	
CC(C)CN(CC(C)C)C(=O)c1cccs1	476396	UOQJGGCZHCXECV-UHFFFAOYSA-N	239.384	3.502	0	50	BHAA	
O=C1CC[C@]2(c3ccccc3)[C@H]1[C@@H]2c1ccccc1	1734361	IJXHRYRHSFUZEX-RCCFBDPRSA-N	248.325	3.701	0	50	BHAA	
FC(F)(F)c1ccc(Oc2ccccc2)nc1	7778158	PQGUJZLNSPLGSZ-UHFFFAOYSA-N	239.196	3.893	0	50	BHAA	
Cc1ccc(NC(=O)c2c(C)coc2C)c(C)c1	9764041	VEMOZTBCNKHGDK-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
COc1cccc2ccc(-c3ccsc3)nc12	32580985	DCMNWWLLYTZLKC-UHFFFAOYSA-N	241.315	3.972	0	50	BHAA	
CCCCCOc1ccc([C@H]2CCC(=O)O2)cc1	43191045	JYMXBTQHPMMHCR-CQSZACIVSA-N	248.322	3.634	0	50	BHAA	
Cc1ccc2nc(CCC(F)(F)F)[nH]c2c1C	67472919	YILZTEIRIPQTSR-UHFFFAOYSA-N	242.244	3.675	0	50	BHAA	
C[C@@H]1CC([C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)C1=O	242648736	RFIRDPUJDHCPEO-JLDUMIBSSA-N	220.356	3.674	0	50	BHAA	
Nc1ccc(-c2nc3ccccc3s2)cc1	6299	WKRCOZSCENDENK-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	in-vitro
Clc1ccc(-c2cnc3ccccc3n2)cc1	207421	XDNHNADKPCWVDT-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	
CC[C@H](OC(C)=O)[C@H](CC)c1ccccc1	393438	IMKKQUXCAGPDBC-KGLIPLIRSA-N	220.312	3.522	0	50	BHAA	
O=C(Nc1ccccc1)Nc1c(F)cccc1F	581261	MNLOJRNXKVIWEO-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CCC1CCC(NCc2ccc(F)cc2)CC1	16667315	SLOIRUZIHNBYEP-UHFFFAOYSA-N	235.346	3.884	0	50	BHAA	
Cc1ccc(NC(=O)C2CCCCC2)cc1C	409047	CZDBRXUTEBJMCJ-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
c1cncc(CNc2ccc3ccccc3c2)c1	437895	NJHNGKMBIZBFHS-UHFFFAOYSA-N	234.302	3.847	0	50	BHAA	
O=C1CCCc2ccc(Oc3ccccc3)cc21	4824148	ZFOLQUQHELUVNU-UHFFFAOYSA-N	238.286	3.998	0	50	BHAA	
CCC[C@H](NCc1cccnc1)c1ccccc1	10315432	VVAXQFPBTDWMCV-INIZCTEOSA-N	240.350	3.713	0	50	BHAA	
CC1=Nc2c(ccc3cccnc23)C1(C)C	18275915	UHZKYCUGAAGKSQ-UHFFFAOYSA-N	210.280	3.618	0	50	BHAA	biogenic
FC(F)(F)Oc1ccc(Cl)c(Cl)c1	36467774	SXBGDKFVGXZJDU-UHFFFAOYSA-N	231.000	3.892	0	50	BHAA	
CC[C@H]1CC[C@H](C2CCC(=O)CC2)CC1	255003988	ICCIOWLZPJIEBA-HAQNSBGRSA-N	208.345	3.962	0	50	BHAA	in-vitro
Cc1ncccc1-c1ccc(F)c(Cl)c1	669381070	XFIXXJOZNNJSGO-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
CC(C)COC(=O)Oc1ccccc1Cl	276814	KLSRYKBSPYLETI-UHFFFAOYSA-N	228.675	3.511	0	50	BHAA	
COc1ccc(C)cc1NC(=O)SC(C)C	398062	CZZOEDYVBMYPSS-UHFFFAOYSA-N	239.340	3.677	0	50	BHAA	
c1ccc2cc(-c3cscn3)ccc2c1	1520104	NOZUGFAWQSDDOB-UHFFFAOYSA-N	211.289	3.963	0	50	BHAA	in-vitro
CCc1ccc(C(=O)c2cc(F)cc(F)c2)cc1	4255054	HPRYOEMIUOVFEL-UHFFFAOYSA-N	246.256	3.758	0	50	BHAA	
Clc1cc2cc(Br)ccc2cn1	44831995	HYCCUWZOOADPGN-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
C[C@@H]1CC(=O)[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](C)C1	242592215	OMRXGTVRYFLYAG-CUBHAZCTSA-N	220.356	3.674	0	50	BHAA	
CC1=CC[C@@H]2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[C@H]2CC=C[C@@H]12	257358690	VUNCQWNEUUJXQY-PLZKBRGSSA-N	242.362	3.760	0	50	BHAA	
Fc1c(Cl)cc(Cl)cc1OC(F)F	263623448	HOPPCOUDMQDDOP-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1ccsc1-c1c[nH]c2cnccc12	1875340370	XZLZEQVTKSPEGR-UHFFFAOYSA-N	214.293	3.600	0	50	BHAA	
Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1	122974	ZSFXYTRJAYXWPQ-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
S=c1[nH]c2ccccc2nc1-c1ccccc1	155581	RZDZNIAZFJPDQC-UHFFFAOYSA-N	238.315	3.959	0	50	BHAA	
CCCCC[C@H](C)NC(=O)c1ccccc1C	4529119	QOKZLYCJDYLZMB-ZDUSSCGKSA-N	233.355	3.694	0	50	BHAA	
CC(C)c1ccc(S)c(Br)c1	36533006	TXXSMHMOXWRZDY-UHFFFAOYSA-N	231.158	3.861	0	50	BHAA	
CCOc1ccc(Cl)cc1Br	41268451	SYAAXVGTPDYRRZ-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	in-vitro
CCC(C)(C)[C@H]1CCC(=O)C[C@H]1SC	725358972	ARBOCMLOWWDZOW-WDEREUQCSA-N	214.374	3.523	0	50	BHAA	
Cc1ccc(NCCOc2ccc(C)cc2)cc1	2160183	UTQITHMVPMEITM-UHFFFAOYSA-N	241.334	3.794	0	50	BHAA	
O=C(c1ccc(O)c(-c2ccccc2)c1)C1CC1	129734097	VSYWKSTYNDFFML-UHFFFAOYSA-N	238.286	3.652	0	50	BHAA	
CSc1ccc(/C=C/Br)cc1	685963992	MUKREVQVYMSFFA-VOTSOKGWSA-N	229.142	3.774	0	50	BHAA	
Cc1ccc(NC(=O)N2[C@H](C)CCC[C@H]2C)cc1	6699032	JIVJCDGYPKNGNX-CHWSQXEVSA-N	246.354	3.790	0	50	BHAA	
C/C=C/[C@@H](O)C(c1ccccc1)c1ccccc1	43761706	BVTFUHPVQPGLAA-WAEIRLDISA-N	238.330	3.756	0	50	BHAA	
C1=CC[C@]23[C@H]4c5ccccc5[C@H]5[C@H]6[C@@H]([C@H]2[C@H]46)[C@@]53C1	253588524	GIYFDWIXSJEAJA-UJDASVDASA-N	232.326	3.709	0	50	BHAA	
CC(=O)c1cccc(OCc2ccccc2C)c1	240504	WZSJGWMHLKFHCH-UHFFFAOYSA-N	240.302	3.777	0	50	BHAA	
COc1ccc(C(=O)CCc2ccccc2)cc1	254840	WMPHLIJZKDSFFR-UHFFFAOYSA-N	240.302	3.511	0	50	BHAA	
FC(F)(F)Cc1cccc(C(F)(F)F)c1	1726688	ZDMPOTKYTHEWOD-UHFFFAOYSA-N	228.135	3.810	0	50	BHAA	in-vitro
CCN1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1	12448104	URJIGQPSTOLXKN-MRXNPFEDSA-N	246.398	3.706	0	50	BHAA	
O=C(O)c1cccnc1-c1cccc2ccccc12	32580966	MNDKZCQQWWXOGP-UHFFFAOYSA-N	249.269	3.600	0	50	BHAA	
COc1c(C)cc(-c2nccn2C(C)C)cc1C	426419944	BKBXCBLHZVLSLO-UHFFFAOYSA-N	244.338	3.756	0	50	BHAA	
COc1ccc(-c2ccc(C(C)=O)cc2)cc1	301150	AITDOOYSOAAUPM-UHFFFAOYSA-N	226.275	3.565	0	50	BHAA	
CCCc1noc(-c2ccc(C(C)(C)C)cc2)n1	430462	ZKWYUQGQSCRNLC-UHFFFAOYSA-N	244.338	3.987	0	50	BHAA	
Clc1nccc2cccc(Br)c12	63772310	RWBOOZDHIKMEHN-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
O=Cc1ccc(-c2cc(F)cc(Cl)c2)cc1	85477318	MCIXTJPGYAARQI-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	in-vitro
CCc1cc(C(=O)C2CC2)c(O)c(C(C)(C)C)c1	110161531	KDMVVVFZWINTKA-UHFFFAOYSA-N	246.350	3.845	0	50	BHAA	
CC(C)c1cc(C2CCCC2)nc(Cl)n1	238196191	APZQJIKVGIZZHA-UHFFFAOYSA-N	224.735	3.911	0	50	BHAA	
CC(=O)c1ccc2c(c1C)NC(C)(C)C[C@@H]2C	584906236	PHFBFNWWOPPSEI-VIFPVBQESA-N	231.339	3.895	0	50	BHAA	
CCCC(=O)Oc1cccc2ccccc12	383563	XIVJNRXPRQKFRZ-UHFFFAOYSA-N	214.264	3.545	0	50	BHAA	in-vitro
Clc1ccc2c3c([nH]c2c1Cl)CCC3	4771058	XFJNVXQPRWAVDQ-UHFFFAOYSA-N	226.106	3.963	0	50	BHAA	
CC(=O)c1sc(Nc2cccc(C)c2)nc1C	1399049	ITWNYYGBHNCFGS-UHFFFAOYSA-N	246.335	3.706	0	50	BHAA	
C[C@@H](O)c1ccc(Oc2ccccc2F)cc1	35632187	CLBYUIZRXKIWJM-SNVBAGLBSA-N	232.254	3.671	0	50	BHAA	
CC[C@@H]1CCCCN1Cc1cccc(N(C)C)c1	170639500	MEWFHGNAMDRILI-OAHLLOKOSA-N	246.398	3.517	0	50	BHAA	
Fc1cc2ncccc2cc1-c1ccoc1	1239688311	LAOBEVKYFSUORI-UHFFFAOYSA-N	213.211	3.634	0	50	BHAA	
O=C(Nc1cccc(Cl)c1Cl)C1CCC1	364239	LVBNGYHGVZFLDY-UHFFFAOYSA-N	244.121	3.732	0	50	BHAA	
O=[S@@](c1ccccc1)c1ccc(Cl)cc1	6116586	XRVFHWFVEIJJKX-OAHLLOKOSA-N	236.723	3.507	0	50	BHAA	
Cc1cccc(NC(=O)N2[C@H](C)CCC[C@H]2C)c1	6698858	FPLNYUWNFGVJGF-CHWSQXEVSA-N	246.354	3.790	0	50	BHAA	
Cc1cccc(CN[C@H](C)c2ccccc2)c1	12042110	RIJGFBBPMPGCJT-CQSZACIVSA-N	225.335	3.846	0	50	BHAA	
CCCOc1c(Cl)cc(Cl)cc1OC	261494431	XLWOLWUTSJYEGY-UHFFFAOYSA-N	235.110	3.791	0	50	BHAA	
Cc1ccc(-c2cnc3ccccc3n2)c(C)c1	55218	WKJSXNGAVQEGMI-UHFFFAOYSA-N	234.302	3.914	0	50	BHAA	
Cc1ccc(NNc2ccc(C)cc2)cc1	343838	AMRKNJUDRORQMI-UHFFFAOYSA-N	212.296	3.742	0	50	BHAA	
Cc1ccc(NC(=O)SC(C)C)c(C)c1	398049	YZROTAYLOZZGBN-UHFFFAOYSA-N	223.341	3.977	0	50	BHAA	
CCCC(C)(C)SCCc1ccncc1	432244	JBHJAHJDRBSUCP-UHFFFAOYSA-N	223.385	3.936	0	50	BHAA	
CC(C)Oc1ccc(Br)cc1Cl	2545228	VTHAMTOHIIKONQ-UHFFFAOYSA-N	249.535	3.890	0	50	BHAA	in-vitro
CC[C@](C)(O)[C@@](C)(CC)c1ccccc1	3132922	QRQGNYLQOQLEKT-KBPBESRZSA-N	206.329	3.515	0	50	BHAA	
CC(C)CC[C@H]1C[C@H]1C(=O)Nc1ccccc1	3159822	OZRKJNXJNJNGBS-GXTWGEPZSA-N	231.339	3.697	0	50	BHAA	
O=c1cc(-c2ccccc2)cc(-c2ccccc2)[nH]1	5286427	XMXDFXBFGHFWPE-UHFFFAOYSA-N	247.297	3.709	0	50	BHAA	
CC(C)n1cc(CCCC(=O)O)c2ccccc21	49453174	INLKUYUZFUEGOQ-UHFFFAOYSA-N	245.322	3.630	0	50	BHAA	biogenic
O=C(O)c1cccc([C@@H](F)c2cccc(F)c2)c1	91304292	MCHVFZRLUIOORC-CYBMUJFWSA-N	248.228	3.583	0	50	BHAA	
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](C)C1	675075981	HPJHDFIPNWOJQW-DTWKUNHWSA-N	217.287	3.993	0	50	BHAA	
c1ccc(Cn2ccc3ccccc32)cc1	1234754	NJZQOCCEDXRQJM-UHFFFAOYSA-N	207.276	3.690	0	50	BHAA	biogenic
Cc1ccc([C@@H]2CCCCCN2)cc1C	4234885	KSKVAARLNUFARJ-AWEZNQCLSA-N	203.329	3.508	0	50	BHAA	in-vitro
Cc1ccc(C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)c1	17861495	ANWCQZXNIMBISV-OKILXGFUSA-N	245.366	3.707	0	50	BHAA	
CC[C@H](NC(=O)C(C)C)c1ccc(C)c(C)c1	72117547	ZKSJCDMKSMGFDP-AWEZNQCLSA-N	233.355	3.527	0	50	BHAA	
Clc1cnc2cccc(Br)c2c1	91692909	KOHNMTFDJUZQQE-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Nc1ccc(-c2ccccc2)nc1-c1ccccc1	196383950	DOEIOJZGEIYYAU-UHFFFAOYSA-N	246.313	3.998	0	50	BHAA	
CC(C)n1c(C(=O)O)cc2cc(Cl)ccc21	212668062	WJUXAGORNJSRDR-UHFFFAOYSA-N	237.686	3.574	0	50	BHAA	
CC[C@@H](OC(C)=O)[C@H](CC)c1ccccc1	393436	IMKKQUXCAGPDBC-ZIAGYGMSSA-N	220.312	3.522	0	50	BHAA	
Cc1cc(C)cc(NC(=O)OCc2ccco2)c1	397391	XGVVNHLLAUOFBK-UHFFFAOYSA-N	245.278	3.645	0	50	BHAA	
Cc1ccccc1OCCCSC(C)C	2842525	POLLNUQZZRDVKK-UHFFFAOYSA-N	224.369	3.906	0	50	BHAA	
Cc1c(Cl)cccc1N1CCCCC1	16677922	UQDJPOJUZFBCLB-UHFFFAOYSA-N	209.720	3.639	0	50	BHAA	
C[C@@H](N)c1ccc(Oc2ccc(F)cc2)cc1	19873660	DRVAKKWXGCYDJV-SNVBAGLBSA-N	231.270	3.638	0	50	BHAA	
CC(C)(C)C(=O)OCC1=CC[C@H]2[C@H](C1)C2(C)C	101083036	ZMMCKTGRRVVQIW-RYUDHWBXSA-N	236.355	3.568	0	50	BHAA	
C[C@H](NCCCOC1CCCCC1)C1CCC1	178426036	QXFNKXSYAXXXBI-ZDUSSCGKSA-N	239.403	3.504	0	50	BHAA	
C[C@@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3	252484746	GGHMUJBZYLPWFD-RKEKIRQTSA-N	222.372	3.610	0	50	BHAA	biogenic,in-vitro
CC(C)c1occ(-c2cccc(F)c2)c1C(=O)O	725245773	GKURMLYAMSDEOM-UHFFFAOYSA-N	248.253	3.907	0	50	BHAA	
Fc1cccc(F)c1-c1nc2ccccc2[nH]1	1926963	OCCRJKJLZKRVPS-UHFFFAOYSA-N	230.217	3.508	0	50	BHAA	in-vitro
CC(=O)c1ccc(Oc2ccc(C)cc2)cc1	19871323	CAZWIMGCKKDNSZ-UHFFFAOYSA-N	226.275	3.990	0	50	BHAA	
CC(=O)[C@@H]1C[C@@H]2CC[C@H](C)C2=CC1(C)C	71786121	CKWPIMVGURZEHE-GAFUQQFSSA-N	206.329	3.594	0	50	BHAA	
Cc1cc(C)cc(-c2cccc(CC(=O)O)c2)c1	74938325	OEYCTWRGFOPQOG-UHFFFAOYSA-N	240.302	3.598	0	50	BHAA	in-vitro
CO[C@@]12[C@H]3CC[C@@H](C3)[C@H]1[C@H]1C[C@H]2c2ccccc21	247956487	OKRGLLBHEZGBNW-UWJCBMBLSA-N	240.346	3.702	0	50	BHAA	
COc1cccc(Cl)c1-c1ccc(C)c(N)c1	314935676	PVEUPPLEALIKQR-UHFFFAOYSA-N	247.725	3.906	0	50	BHAA	
c1ccc(-c2nc3ccccc3s2)cc1	120000	XBHOUXSGHYZCNH-UHFFFAOYSA-N	211.289	3.963	0	50	BHAA	in-vitro
C[C@@H](CC(=O)C(C)(C)C)c1ccccc1	3136972	UVIHTFNCDHMOPY-NSHDSACASA-N	204.313	3.795	0	50	BHAA	
C[C@@H]1[C@H](c2ccccc2)C[C@@H](C(=O)O)C1(C)C	15188765	YANDMRONFZDPSQ-RTXFEEFZSA-N	232.323	3.537	0	50	BHAA	
Cc1ccc(-c2ccc(F)cc2)cc1F	112733494	XCVTWHDBCMLIMF-UHFFFAOYSA-N	204.219	3.940	0	50	BHAA	
C[C@@H]1[C@H]2C[C@@H](C[C@@H]2C2CCC(O)CC2)C1(C)C	114246057	PCFHYANYPQEMPU-SEAGRDHOSA-N	236.399	3.856	0	50	BHAA	
CC[C@H]1[C@H](C)CCN1Cc1ccc(F)cc1F	170599707	HRPXUIMTWUNKED-YGRLFVJLSA-N	239.309	3.585	0	50	BHAA	
Cc1cccc(C)c1OC(=O)c1ccccc1	360492	RSEQZAFEVVCITH-UHFFFAOYSA-N	226.275	3.523	0	50	BHAA	
C[C@H]1CCC[C@H](OC(=O)NC2CCCCC2)C1	401719	ZSWOWLYGELNBNI-AAEUAGOBSA-N	239.359	3.624	0	50	BHAA	
c1ccc(COc2ccc3cc[nH]c3c2)cc1	402745	FPMICYBCFBLGOZ-UHFFFAOYSA-N	223.275	3.747	0	50	BHAA	in-vitro
Cc1ccc(C)c(C(=O)Nc2ccccc2)c1	514641	WHXMCLIVMRPLFL-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
Nc1cccc2cc(-c3ccccc3)oc12	2538819	SRQPIGJOUMZWNK-UHFFFAOYSA-N	209.248	3.682	0	50	BHAA	
O=C1CCCC[C@@H]1/C1=N/CCCCCCC1	3074780	MSEJRTWMABOMBB-ODHUPUGDSA-N	221.344	3.541	0	50	BHAA	
Cc1ccc([C@H]2Cc3ccccc3N2)cc1	3714981	VIQYPBCVLNWCEY-OAHLLOKOSA-N	209.292	3.704	0	50	BHAA	in-vitro
CCCNCc1ccc(-c2ccc(F)cc2)o1	4841602	PRXCCDNWODCBKX-UHFFFAOYSA-N	233.286	3.585	0	50	BHAA	
COc1cc(C)c(CN2CCCC[C@H]2C)cc1C	23282105	JNOTWIYRYWECKJ-CQSZACIVSA-N	247.382	3.686	0	50	BHAA	
Cc1cc(Cl)cc(C)c1Br	63772418	CFMPIQSLDJXNPD-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	in-vitro
Clc1ccc(-c2ncco2)c(Cl)c1	65337143	YWHOOKZYOXJCSH-UHFFFAOYSA-N	214.051	3.648	0	50	BHAA	in-vitro
C1=C[C@H]2COC[C@H]2CCCCCCCC1	254849333	QQPBNXSJUXIDLT-UONOGXRCSA-N	208.345	3.940	0	50	BHAA	biogenic
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](C)C1	675075984	HPJHDFIPNWOJQW-IUCAKERBSA-N	217.287	3.993	0	50	BHAA	
CC(C)Cc1nc2ccccc2n1C(C)C	452623	HTQINUCCVFTTTK-UHFFFAOYSA-N	216.328	3.816	0	50	BHAA	
CCOP(=O)(Cc1ccccc1F)OCC	34395852	VLIMXNFVVHBLMJ-UHFFFAOYSA-N	246.218	3.592	0	50	BHAA	
Clc1cc(Br)cc2cc[nH]c12	34416654	NBSOYBSYOOJMPE-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
C[C@@H]1C[C@@H](NC2CCCC2)c2ccccc21	164399503	FKWAJSCMBIWDDT-IAQYHMDHSA-N	215.340	3.767	0	50	BHAA	in-vitro
O=C(O)c1sc2cc(Cl)ccc2c1Cl	176157	AAHPIJMQJAZYTM-UHFFFAOYSA-N	247.102	3.906	0	50	BHAA	in-vitro
CC(C)(C)c1ccc(C(C)(C)C)c(N)c1	2539348	NUZVLYNISQOZOW-UHFFFAOYSA-N	205.345	3.864	0	50	BHAA	biogenic,in-vitro
FC(F)(F)CCc1ccccc1Cl	66330504	XMJVRKDBGAHBGF-UHFFFAOYSA-N	208.610	3.835	0	50	BHAA	
Fc1ccc(-c2ccccc2F)c(F)c1	79979190	RVGJCKBMCAHNAZ-UHFFFAOYSA-N	208.182	3.771	0	50	BHAA	
Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1C	248173538	XWNRRQLMVZNGGR-FICVDOATSA-N	243.350	3.678	0	50	BHAA	
Cc1cc2c(cc1C)CSCSC2	5212375	SMVKOIBFWKSJBJ-UHFFFAOYSA-N	210.367	3.741	0	50	BHAA	
CC(C)(C)/C(Br)=C\Br	72099250	JDGBPINHTJNHMH-SNAWJCMRSA-N	241.954	3.664	0	50	BHAA	
C[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NC1CC=CC1	225634466	ZKSFCAYXYTVXDI-XUXIUFHCSA-N	219.372	3.509	0	50	BHAA	
CCCOc1cc(F)c(C)cc1Cl	261493552	DJAIVDPPIUYAET-UHFFFAOYSA-N	202.656	3.576	0	50	BHAA	
CCCc1nc(C)c(CNc2ccc(F)cc2)o1	888093212	YPCTZQKZJHBOMT-UHFFFAOYSA-N	248.301	3.687	0	50	BHAA	
Clc1nc(-c2ccccc2)nc2ccccc12	119657	OBHKONRNYCDRKM-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	
Cc1ccc2nc(-c3cccs3)[nH]c2c1	5818455	QIYVOSKFSQXPCG-UHFFFAOYSA-N	214.293	3.600	0	50	BHAA	
FC(F)(F)Cc1cccc(Br)c1	63361011	CQVBJYBIGXUWPB-UHFFFAOYSA-N	239.034	3.554	0	50	BHAA	in-vitro
CC(C)c1cccc(Nc2cc(O)ccn2)c1	2356165026	PHDMVVSKJULDEE-UHFFFAOYSA-N	228.295	3.654	0	50	BHAA	
CCOC(=O)c1ccccc1Oc1ccccc1	2506758	JGIQCXPHDHHHMN-UHFFFAOYSA-N	242.274	3.656	0	50	BHAA	
OCCCCCCCCCCCCCCO	4202510	XLKZJJVNBQCVIX-UHFFFAOYSA-N	230.392	3.652	0	50	BHAA	biogenic,in-vitro
CCCCNC(=O)c1ccc(C(C)(C)C)cc1	5419818	UTAMDTZAUSRBMN-UHFFFAOYSA-N	233.355	3.514	0	50	BHAA	
c1ccc2c(-n3cnnc3C3CCC3)cccc2c1	67803616	IJQYTPPOTMXYJV-UHFFFAOYSA-N	249.317	3.688	0	50	BHAA	
Cc1cc(OC(C)C)ccc1Br	95915405	ISQADIFNVMNUSO-UHFFFAOYSA-N	229.117	3.545	0	50	BHAA	
Fc1cc(Cl)cc(OC(F)F)c1Cl	263623821	KZYVENIDRGSTAA-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1cccc(NC(=O)N(C(C)C)C(C)C)c1C	397080	SQNMPOIJPJGWPC-UHFFFAOYSA-N	248.370	3.954	0	50	BHAA	
Fc1cc(F)c2cc(Cl)nc(Cl)c2c1	642883026	MLYITIAQOVCPII-UHFFFAOYSA-N	234.032	3.820	0	50	BHAA	
CCc1ccc(-c2cn3ccsc3n2)cc1	218485	OXIGZRCHLIKUQE-UHFFFAOYSA-N	228.320	3.625	0	50	BHAA	
O=Cc1cc(Cl)ccc1OCc1ccccc1	465992	UKVVPQTUCJPTNI-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
C[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	466473	DEWGOGCOHJVWHY-LLVKDONJSA-N	243.281	3.568	0	50	BHAA	
O=C(CC1CCCC1)Nc1ccc(Cl)cc1	17154674	AKCFHNPEQBTQEE-UHFFFAOYSA-N	237.730	3.859	0	50	BHAA	
CCC[C@@H](NC(=O)c1ccco1)c1ccccc1	20600014	PUMSNPURXMQHQB-CYBMUJFWSA-N	243.306	3.551	0	50	BHAA	
CC[C@H](N)c1ccc(Cl)c(Cl)c1C	238315748	XICQUZQQLDBCRN-VIFPVBQESA-N	218.127	3.712	0	50	BHAA	
Fc1ccccc1CCCOCc1ccccc1	1250245645	DNLAPLWCOOVQNF-UHFFFAOYSA-N	244.309	3.975	0	50	BHAA	
CC(C)(C)c1ccc(Br)cc1	1675819	XHCAGOVGSDHHNP-UHFFFAOYSA-N	213.118	3.747	0	50	BHAA	in-vitro
CCCCC(=O)Nc1c(C)cccc1CC	2998366	HTGDBTMUPFYKJJ-UHFFFAOYSA-N	219.328	3.686	0	50	BHAA	
CCCCCCNC(=S)Nc1ccccc1	5421790	WSHZXAKBZYJLTH-UHFFFAOYSA-N	236.384	3.553	0	50	BHAA	in-vitro
Nc1cccc(-c2ccc(Cl)cc2Cl)n1	32537422	LYDIRMKOZVLZMW-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
O=C1C[C@@H](c2ccc(F)cc2)Nc2ccccc21	59268659	HQCCOFMBOJBRQY-AWEZNQCLSA-N	241.265	3.565	0	50	BHAA	
c1ccc(-c2cccc(-c3ccccn3)c2)nc1	113977320	ZXLQVVRBSAUVJB-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1	73248	NLVDLHCAQOOWCC-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CCCN(CCC)C(=O)Nc1cccc(C)c1	395285	INKBOKFUIALASJ-UHFFFAOYSA-N	234.343	3.649	0	50	BHAA	
Cc1ccc(OCC(=O)c2ccc(C)cc2)cc1	473810	FZVCXAKACBKOLS-UHFFFAOYSA-N	240.302	3.565	0	50	BHAA	
CCCNC1(c2ccccc2)CCCCC1	32220015	KHXNTQRMMGXPQW-UHFFFAOYSA-N	217.356	3.846	0	50	BHAA	in-vitro
Fc1ccc(C(F)F)cc1Br	64270021	SKVRXULNDBZCFL-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
Fc1cc(Cl)c(C(F)(F)F)cc1F	66329402	IRKLZIBIWDAFDS-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
CC(C)(C)OC(=O)Nc1coc2ccccc12	306541616	TYUPVMGBIXSHEG-UHFFFAOYSA-N	233.267	3.780	0	50	BHAA	
Oc1ccc(-c2ccc(Br)cc2)cc1	389803	ARUBXNBYMCVENE-UHFFFAOYSA-N	249.107	3.822	0	50	BHAA	in-vitro
Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1	3158997	VFSKJOKMOSONNS-OAHLLOKOSA-N	240.302	3.602	0	50	BHAA	
Cc1ccc(-c2ccc(C)cc2C(=O)O)cc1	65349483	XQGAYWVPAVKFBR-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
COc1ccc(-c2ncccc2Cl)c(C)c1	67816995	PDMFWZUPZDAFHH-UHFFFAOYSA-N	233.698	3.719	0	50	BHAA	
CC1=CC[C@H]2CO[C@@H](c3ccccc3)[C@H]1C2	100291457	MVDWUXFRXDBWTK-SNPRPXQTSA-N	214.308	3.730	0	50	BHAA	
CCCC(=O)c1cc([C@H](C)CC)ccc1O	232354880	DHFWKBWDBGABHK-SNVBAGLBSA-N	220.312	3.889	0	50	BHAA	
CC[C@@H](C)c1ccc(-c2csc(N)n2)cc1	435229	LBOPCRGVEWBRJI-SECBINFHSA-N	232.352	3.906	0	50	BHAA	in-vitro
C[C@H](CC(=O)N1CCCCCC1)c1ccccc1	859930	WYOAQCWWVQUJQC-CQSZACIVSA-N	245.366	3.583	0	50	BHAA	
CCCCc1ccc(NC(=O)C(C)C)cc1	2181345	KFGGLIQIRXKWIW-UHFFFAOYSA-N	219.328	3.624	0	50	BHAA	
CCCNC(=O)Nc1c(C)cccc1C(C)C	6731233	VPLBQFIBKUBQOB-UHFFFAOYSA-N	234.343	3.650	0	50	BHAA	
O=C1CC23CCCCCCCCC2(C1)CC(=O)C3	45028082	DOOZMGCTHGVWED-UHFFFAOYSA-N	248.366	3.819	0	50	BHAA	
COc1ccc(C)cc1-c1nc2ccccc2o1	65408542	LJERGDYAPTUWPJ-UHFFFAOYSA-N	239.274	3.812	0	50	BHAA	
CCC[C@H](C)NC(=O)c1ccc(C)cc1Cl	71754907	WNOFZGKNLODHAE-JTQLQIEISA-N	239.746	3.567	0	50	BHAA	
Cc1ccc(CNc2cccnc2)cc1Cl	193730220	SAPVXFJQMKQWTQ-UHFFFAOYSA-N	232.714	3.656	0	50	BHAA	
Cc1cc(C)c(NC(=O)c2cccs2)c(C)c1	41450	DMWXIZPXQWCYDF-UHFFFAOYSA-N	245.347	3.926	0	50	BHAA	
Cc1ccc(CNC(=O)CC2CCCCC2)cc1	858611	SHAOSFPKTFFCHR-UHFFFAOYSA-N	245.366	3.582	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(F)cc2)c(F)c1	41206	CCEYYDCCCFOLHT-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Oc1ccc(Cl)cc1Cc1ccccc1	136177	NCKMMSIFQUPKCK-UHFFFAOYSA-N	218.683	3.636	0	50	BHAA	biogenic,in-man
Nc1ccccc1-c1ncc(-c2ccccc2)o1	389320	GQHQUFLPSBUAEO-UHFFFAOYSA-N	236.274	3.591	0	50	BHAA	
CCc1ccc([C@@H](O)c2cccc(C)c2)cc1	4255792	QWJIFEMHQGINKX-MRXNPFEDSA-N	226.319	3.639	0	50	BHAA	
CCc1nc2cc(C(F)(F)F)ccc2n1CC	40417119	RQVIIRWRGBRSNC-UHFFFAOYSA-N	242.244	3.637	0	50	BHAA	
O=c1oc2ccccc2cc1-c1cccs1	71318533	AUISNCGJDLDBGR-UHFFFAOYSA-N	228.272	3.522	0	50	BHAA	
Cc1nnc(-c2ccc(CCCCCF)cc2)o1	82147398	FCLPCCFNVXIJCP-UHFFFAOYSA-N	248.301	3.727	0	50	BHAA	
C[C@@H]1CC[C@@]23CCC[C@@]12C(=O)CC3(C)C	104295739	CNYPBJDMBFBJHS-HONMWMINSA-N	206.329	3.572	0	50	BHAA	
Cc1ccc(C(=O)c2ccnc(Cl)c2)cc1C	156062320	NHJFZCCRLGDZEY-UHFFFAOYSA-N	245.709	3.583	0	50	BHAA	
CC(=O)c1cccc(-c2ccnc(C(F)F)c2)c1	725273552	KPKQNWHTCWDFPP-UHFFFAOYSA-N	247.244	3.889	0	50	BHAA	
CCCCN(CC)C(=O)c1cccc(Cl)c1	2739377	RAHHEUBEFSPECA-UHFFFAOYSA-N	239.746	3.602	0	50	BHAA	
O=C(Nc1ccccc1C1CC1)c1ccccc1	285668	TXNFBUNXTAAUQZ-UHFFFAOYSA-N	237.302	3.816	0	50	BHAA	
CC(C)c1ccc(NC(=O)NC2CCCC2)cc1	399257	XGWFJXZEOLWAHP-UHFFFAOYSA-N	246.354	3.874	0	50	BHAA	
CCCCCCC(=O)Nc1ccc(Cl)cn1	2872573	SIGUWDUEOAXYEY-UHFFFAOYSA-N	240.734	3.644	0	50	BHAA	
CC(C)CCC[C@@H](C)NC(=O)Cc1ccccc1	3308005	ODZLPBUMLCMIMI-CQSZACIVSA-N	247.382	3.560	0	50	BHAA	
CC(=O)c1ccc(OCc2ccc(C)cc2)cc1	4342691	OEUSEPWRDYIVPO-UHFFFAOYSA-N	240.302	3.777	0	50	BHAA	
CC[C@H](C)c1ccc([C@@H](CC)NC(C)=O)cc1	6731673	CUHCGYSGMKMDLI-XHDPSFHLSA-N	233.355	3.787	0	50	BHAA	
Brc1ccc(-c2cccs2)nc1	12359374	POYKHSYCYNRTKC-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	in-vitro
CC(=O)c1ccc2c(c1)C(C)(C)CCS2	22008651	DHIVJYNSSSHXRG-UHFFFAOYSA-N	220.337	3.663	0	50	BHAA	in-vitro
CCCCCCOc1ccc(O)c(F)c1F	142410897	BBWXIWOATNTDBY-UHFFFAOYSA-N	230.254	3.630	0	50	BHAA	
CCCN(CCC)C(=O)Nc1c(C)cccc1C	396749	JGOBDOQOBSOEDF-UHFFFAOYSA-N	248.370	3.957	0	50	BHAA	
Clc1nc2c(Br)cccc2s1	2455694	HWPFBBVUHHRYMR-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	in-vitro
CC1=C(c2ccccc2)[C@H]2CC(=O)[C@H]2C1(C)C	45027795	HLZHQLPZKAKRDD-DOMZBBRYSA-N	226.319	3.705	0	50	BHAA	
COC(=O)c1ccc2oc(C3CCCC3)cc2c1	114958753	XUSBBPXYJVGLBE-UHFFFAOYSA-N	244.290	3.877	0	50	BHAA	
CCCC(C)(C)Nc1ccc(OC)cc1	257354966	HCVDBPIWPIHGGY-UHFFFAOYSA-N	207.317	3.686	0	50	BHAA	
COc1ccc(C(C)(C)c2ccc(O)cc2)cc1	122790	WPVCFEULGFXPJD-UHFFFAOYSA-N	242.318	3.727	0	50	BHAA	in-vitro
CC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	4255275	MYICJXOPUNFZHP-UHFFFAOYSA-N	248.228	3.960	0	50	BHAA	
COc1ccc(C)cc1N[C@@H]1CCC[C@H](C)C1	4685523	QKIMPGNKKYHZLZ-WCQYABFASA-N	233.355	3.994	0	50	BHAA	
CCN(CC)CCOc1ccc2ccccc2c1	4989902	BRVNNKQDIMMXLX-UHFFFAOYSA-N	243.350	3.560	0	50	BHAA	
COc1ccc(-c2cc3ccccc3[nH]2)cc1F	1519053	UDQPNDWFTGDMIB-UHFFFAOYSA-N	241.265	3.983	0	50	BHAA	
CCOCCCCCCCCCOCC	2173592	UGTSXCRMHFOFNS-UHFFFAOYSA-N	216.365	3.790	0	50	BHAA	
CC(=O)N1c2ccccc2C=Cc2ccccc21	4336050	OSQPHLCMJMVXLB-UHFFFAOYSA-N	235.286	3.855	0	50	BHAA	
O=Cc1ccccc1Oc1ccc(F)cc1F	12359787	KBOXPPHAHQVPHS-UHFFFAOYSA-N	234.201	3.570	0	50	BHAA	
Cc1cccc(-c2cncc(OC(C)C)n2)c1C	1239715776	SCFBFXQSZQEQCM-UHFFFAOYSA-N	242.322	3.548	0	50	BHAA	
Clc1ccc(-c2noc(-c3ccco3)n2)cc1	256133	YLBDHTKCJWDDOE-UHFFFAOYSA-N	246.653	3.650	0	50	BHAA	
c1ccc(OCCCOc2ccccc2)cc1	1866995	HZIVULLSUOJNPX-UHFFFAOYSA-N	228.291	3.535	0	50	BHAA	
CCCCNC(=O)c1oc2ccc(C)cc2c1C	16606385	FQGPIYMUCJGJRN-UHFFFAOYSA-N	245.322	3.580	0	50	BHAA	
CC(C)Oc1cc(O)cc(Cl)c1OC(C)C	261494336	VELKVCRFNVNLBE-UHFFFAOYSA-N	244.718	3.620	0	50	BHAA	
Cc1cc(C)c(NC(=O)C2CCCC2)c(C)c1	362137	AHJVMZPALGSXSE-UHFFFAOYSA-N	231.339	3.741	0	50	BHAA	
COc1ccc2c(Cl)nc(Cl)cc2c1	16125144	MDGSCLLECOTDSW-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	in-vitro
COC(OC)c1ccc(-c2ccc(C)cc2)cc1	34365021	ZNBLJWJRAWMETI-UHFFFAOYSA-N	242.318	3.953	0	50	BHAA	
CCc1nc(C)cc(-c2cccc3cccnc23)n1	67805500	WUUZRAVCOVXTEL-UHFFFAOYSA-N	249.317	3.563	0	50	BHAA	
C[C@H]1CC=C2CC[C@@H](CC(=O)C1)C2(C)C	308673622	FEODWSHFVLJMMG-JQWIXIFHSA-N	206.329	3.738	0	50	BHAA	
COc1ccccc1CNc1cc(C)ccc1C	263004	QZCUCJNQPNVOFO-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
CCCC[C@H](CC)CNC(=O)c1ccc(C)o1	4894600	IWTVLLVHDJPKFY-LBPRGKRZSA-N	237.343	3.534	0	50	BHAA	
Nc1ccccc1CCc1ccc2ccccc2n1	30834215	FZBCGHASKLJZGH-UHFFFAOYSA-N	248.329	3.602	0	50	BHAA	
CC(C)(C)OC(=O)n1ccc2c(F)cccc21	72194315	HWVFAXLKBJQDMB-UHFFFAOYSA-N	235.258	3.564	0	50	BHAA	in-vitro
CCc1ccc(-c2cn3ccccc3n2)cc1	60971	UVJAVEBZKQQCQI-UHFFFAOYSA-N	222.291	3.564	0	50	BHAA	
c1csc(CSc2nc3ccccc3[nH]2)c1	117118	AEGBQMAOYPUJCV-UHFFFAOYSA-N	246.360	3.917	0	50	BHAA	
Brc1ccc(-c2cccnc2)s1	334009	GJBHIXTYLYHAQD-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	
CC[C@]1(CC(C)(C)c2ccccc2)OC[C@H](C)O1	451670	UDBZSGMJLUTCPL-BBRMVZONSA-N	248.366	3.896	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C)cc2F)cc1	9454198	JUDKYEVMXMJQKM-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Brc1cccc(CC2CCC2)c1	258985669	VQYJKQODZUNCLA-UHFFFAOYSA-N	225.129	3.792	0	50	BHAA	in-vitro
C[C@@H](CSCc1ccno1)c1ccccc1	272157407	NGIJAMTWSIKPHG-NSHDSACASA-N	233.336	3.712	0	50	BHAA	
Cc1ccc(-c2cc3c(F)cccc3s2)nn1	1875340004	HVZDHOWZPVMERE-UHFFFAOYSA-N	244.294	3.806	0	50	BHAA	
Cc1cc(OC(=O)c2ccccc2)ccc1Cl	394852	NXMBTIAESILOAO-UHFFFAOYSA-N	246.693	3.868	0	50	BHAA	
Cc1ccccc1OCCCCCN1CCCC1	2183540	QEDYMDGKAITNOS-UHFFFAOYSA-N	247.382	3.640	0	50	BHAA	
CCCCc1ccc(S(=O)O)c2ccccc12	2527959	QKSCNFIWWUHUFI-UHFFFAOYSA-N	248.347	3.763	0	50	BHAA	
O=C(CCNc1cccc(F)c1)c1cccs1	2879513	GHDDNNGMBQKCSY-UHFFFAOYSA-N	249.310	3.572	0	50	BHAA	
COc1ccc(/C(C)=C\C(=O)C(C)(C)C)cc1	16667629	PMHHVHHMCAHJDT-KHPPLWFESA-N	232.323	3.714	0	50	BHAA	
CS[C@@H]1CC[C@@H](N[C@H](C)c2cccs2)C1	110688448	XZROYVVUEVTCOQ-GMTAPVOTSA-N	241.425	3.683	0	50	BHAA	
Cc1ccc([C@@H]2CCC[C@H](CC(=O)O)C2)cc1	392282	WHSXOWGHZWMPER-GXTWGEPZSA-N	232.323	3.744	0	50	BHAA	
Cc1ccccc1NC(=O)SC(C)C	396829	NEELZUNUYLKYRM-UHFFFAOYSA-N	209.314	3.669	0	50	BHAA	
CC(C)COc1ccc(C=O)c2ccccc12	555691	LDQIRBGOFTWYFD-UHFFFAOYSA-N	228.291	3.687	0	50	BHAA	
CC(=O)Oc1cc(Cl)c(Cl)cc1Cl	1680397	IRMIPIZHLIHQST-UHFFFAOYSA-N	239.485	3.572	0	50	BHAA	
Cc1ccccc1OCCCCN1CCCCC1	2493410	AHTOPYJXJBLILF-UHFFFAOYSA-N	247.382	3.640	0	50	BHAA	
Cc1cc(C)c(C[C@H]2CCCCCN2)cc1C	4234910	VZUGKOUHTLHTRU-MRXNPFEDSA-N	231.383	3.687	0	50	BHAA	in-vitro
CC(C)(C)c1ccc([C@@H]2CCCCN2)cc1	12404533	BVZADSBIWVFXJB-AWEZNQCLSA-N	217.356	3.799	0	50	BHAA	in-vitro
Clc1ccc([C@@H]2NCCc3ccccc32)cc1	19624675	UIBYAOPNXNPUEU-HNNXBMFYSA-N	243.737	3.575	0	50	BHAA	
CSc1ccccc1NC(=O)OC(C)(C)C	38436445	BUKWUUUUGKOREC-UHFFFAOYSA-N	239.340	3.756	0	50	BHAA	in-vitro
O=Cc1ccccc1Oc1ccc(Cl)cc1	167436	ZDVNCJMGGQWZCV-UHFFFAOYSA-N	232.666	3.945	0	50	BHAA	in-vitro
CCCc1cc(=O)oc2cc(OC(C)C)ccc12	374011	GZFJACGMBGZVGU-UHFFFAOYSA-N	246.306	3.533	0	50	BHAA	
FC(F)(F)c1cccc([C@@H]2CCCCCN2)c1	3735039	ATNOGEMZGMOSPA-LBPRGKRZSA-N	243.272	3.910	0	50	BHAA	in-vitro
Sc1ccc(OC2CCCCC2)cc1	40571372	IYSFNNSVGFOLFX-UHFFFAOYSA-N	208.326	3.687	0	50	BHAA	
CCCOc1c(F)cc(Cl)cc1Cl	261493871	LCGGUBFBXRXHOH-UHFFFAOYSA-N	223.074	3.921	0	50	BHAA	
Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)o1	2325870334	SVOWLPSAVIGYNC-JTQLQIEISA-N	214.264	3.578	0	50	BHAA	
Fc1cccc(Br)c1C(F)F	79387274	CRUJWSKZSKRRLV-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	
CN1C=CC(=C/C=C2\C=Nc3ccccc32)C=C1	55346	REPRLCRXMJXHAW-VGOFMYFVSA-N	234.302	3.685	0	50	BHAA	biogenic,in-vitro
C[C@H](NC(=O)CC1CCCCC1)c1ccccc1	317860	GHXLWPCDRAJZJP-ZDUSSCGKSA-N	245.366	3.834	0	50	BHAA	
CCC(=O)O[C@@H](CC)[C@@H](C)c1ccccc1	393434	CWWGTVBUXMFTSG-AAEUAGOBSA-N	220.312	3.522	0	50	BHAA	
C[C@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1	409634	MCGRLJUUNBDQTF-IUODEOHRSA-N	240.302	3.659	0	50	BHAA	biogenic
CC[C@H](C)NC(=O)Nc1cccc2ccccc12	2888914	WOZVNJUAPZXJAW-NSHDSACASA-N	242.322	3.760	0	50	BHAA	
COc1ccccc1/C=C/c1ccccc1	3075519	FLQOKJWUYDGZIT-VAWYXSNFSA-N	210.276	3.866	0	50	BHAA	
CCN(CC)CCOc1ccc(C(C)C)cc1	5024215	LVMXRBDRSDIAKE-UHFFFAOYSA-N	235.371	3.531	0	50	BHAA	
CCCCOc1ccc2cc(O)ccc2c1	34305975	ZURYMAGYNVUZDI-UHFFFAOYSA-N	216.280	3.724	0	50	BHAA	
O=C(Nc1ccccc1)Oc1ccc(Cl)cc1	410208	LKLGOVKMZSSNCC-UHFFFAOYSA-N	247.681	3.951	0	50	BHAA	
FC(F)(F)c1cnc2ccccc2c1Cl	16159938	QLUSBWZTFPLCBU-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
CCCCCCC(CC)(CC)C(=O)O	54633179	GCXPWMYZEFIFNC-UHFFFAOYSA-N	200.322	3.848	0	50	BHAA	in-vitro
Cc1cc(Cl)cc(F)c1Br	67794454	BAGCZQFQADYULL-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CC(C)(C)c1cc(Br)cc(C=O)c1	116473564	BSVSJGLILKTPNT-UHFFFAOYSA-N	241.128	3.559	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	127871	WQWILBQLOABMSN-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
Cc1cccc(C2SCCCS2)c1	376670	FVANHAKOLFUSGV-UHFFFAOYSA-N	210.367	3.864	0	50	BHAA	
CCN(CC)Cc1cccc(C(F)(F)F)c1	1602969	YVCUDBPKSSZGCY-UHFFFAOYSA-N	231.261	3.547	0	50	BHAA	
C[C@H]1CC[C@H](c2cn(C)c3ccccc23)C(=O)C1	4709849	HETUGDMZJTWSEZ-WCQYABFASA-N	241.334	3.651	0	50	BHAA	
Nc1cc2oc3ccccc3c2cc1Cl	4798226	WBIXAQXWIPSKLF-UHFFFAOYSA-N	217.655	3.822	0	50	BHAA	
Cc1ccc(C)c(OCCCCN2CCCC2)c1	4989572	ZWWQDGQQGZTDLZ-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Clc1cnc(Br)c2ccccc12	19721424	DWURDEVVUPUUPU-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Cc1c(C=O)sc2ccc(Cl)cc12	19860458	OEHWRIDKBQTMPG-UHFFFAOYSA-N	210.685	3.676	0	50	BHAA	
COc1cccc2ccc(-c3ccccc3)nc12	32553386	BHENMLKXUZMVNI-UHFFFAOYSA-N	235.286	3.910	0	50	BHAA	
CCSC(=O)N(CC)C1CCCCC1	2039867	DFCAFRGABIXSDS-UHFFFAOYSA-N	215.362	3.514	0	50	BHAA	biogenic,in-vitro
Cc1ccc(-c2sc(C(=O)O)cc2C)cc1	2538928	HULPUUKNFULTMO-UHFFFAOYSA-N	232.304	3.730	0	50	BHAA	
O[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	4242465	XQZHFEJWMCBAQY-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	
Cc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1	4242619	CYLLIAPEJJBIRK-CQSZACIVSA-N	232.710	3.730	0	50	BHAA	in-vitro
CCn1ncc(-c2ccc([C@@H](C)OC)cc2)c1C	2356156389	ZRCYPMDPOAIYBF-GFCCVEGCSA-N	244.338	3.586	0	50	BHAA	
CN1c2ccccc2Sc2ccccc21	187683	QXBUYALKJGBACG-UHFFFAOYSA-N	213.305	3.919	0	50	BHAA	biogenic,in-vitro
Cc1ccccc1OC(=O)/C=C/c1ccccc1	306197	XYRBZTZCSQCWAA-VAWYXSNFSA-N	238.286	3.614	0	50	BHAA	
Clc1cccc(Cl)c1Br	388383	UWOIDOQAQPUVOH-UHFFFAOYSA-N	225.900	3.756	0	50	BHAA	
C[C@H]1CCCC[C@@H]1OC(=O)Nc1ccccc1	398172	IHUQXHKMDVTSNX-AAEUAGOBSA-N	233.311	3.814	0	50	BHAA	
CCCCC(O)(CCCC)c1ccncc1	2028905	LNQXYCAICAIGHG-UHFFFAOYSA-N	221.344	3.650	0	50	BHAA	
CCCCSc1nnc(-c2ccc(C)cc2)o1	2830346	JPAWHIGGTVOTJC-UHFFFAOYSA-N	248.351	3.937	0	50	BHAA	
CC[C@H](C)c1ccc([C@H](CC)NC(C)=O)cc1	6731675	CUHCGYSGMKMDLI-NHYWBVRUSA-N	233.355	3.787	0	50	BHAA	
CCCn1c([C@@H](C)CC)nc2ccccc21	40417431	IARFTRLCRQXGBN-NSHDSACASA-N	216.328	3.960	0	50	BHAA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@]2(C)C[C@@H]12	104290954	MFBMSFICEUZSLU-BBKSZCTCSA-N	244.334	3.705	0	50	BHAA	
C[C@@H](CCC1CC1)Nc1ccc2[nH]ncc2c1	170597518	CPBCZTFMEURICL-JTQLQIEISA-N	229.327	3.554	0	50	BHAA	
Cc1c(Br)ccc(Cl)c1F	216282169	MAVABCKXCUPZGE-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
Oc1c(Cl)cc(Cl)c2ccc(Cl)nc12	235916	QIYAAVABXPAIOZ-UHFFFAOYSA-N	248.496	3.901	0	50	BHAA	
Cc1ccccc1NC(=O)Nc1ccccc1	398222	UUIQRZTUWPSQKW-UHFFFAOYSA-N	226.279	3.639	0	50	BHAA	
CCCc1nc2c(C)ccc(C)c2c(N)c1CC	5061007	SSTUPIPLYQHLDC-UHFFFAOYSA-N	242.366	3.949	0	50	BHAA	
C[C@H](NC(=O)c1ccc(Cl)s1)C(C)(C)C	12381112	CPXXDRYRRQHXMO-ZETCQYMHSA-N	245.775	3.566	0	50	BHAA	
Cc1ccc2cc(Cl)nc(Cl)c2c1	16125199	BPEFMJHEHCHWPC-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
Cc1ccc(C(=O)NCCC2=CCCCC2)s1	16603475	YPBMRAWHWKPJOX-UHFFFAOYSA-N	249.379	3.677	0	50	BHAA	
C[C@H]1CC[C@@H](C)N1CCCC(=O)c1ccccc1	96027800	HGKYRGFXUDYROZ-OKILXGFUSA-N	245.366	3.522	0	50	BHAA	
CCCOc1cccc(-c2nncc(C)c2C)c1	2100545435	VECINEFDQOUWIK-UHFFFAOYSA-N	242.322	3.549	0	50	BHAA	
CC(C)(c1ccccc1)c1ccc(N)cc1	1668275	MSKAVHSHJVKFBQ-UHFFFAOYSA-N	211.308	3.595	0	50	BHAA	in-vitro
c1ccc2c(CN3CCCCCCC3)c[nH]c2c1	1852949	KCXDIIFZTRAZDV-UHFFFAOYSA-N	242.366	3.934	0	50	BHAA	
FC(F)(F)c1ccccc1C(F)(F)F	2003704	XXZOEDQFGXTEAD-UHFFFAOYSA-N	214.108	3.724	0	50	BHAA	in-vitro
Nc1ccccc1SCc1cccc(F)c1	8435810	AFCSNOYPODGHNJ-UHFFFAOYSA-N	233.311	3.700	0	50	BHAA	in-vitro
Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1	12462610	NSPCCUXHOQOAJQ-UHFFFAOYSA-N	231.295	3.733	0	50	BHAA	
COC(=O)c1cccc(-c2cc(C)ccc2C)c1	97756969	FSFDXDACWIKNJU-UHFFFAOYSA-N	240.302	3.757	0	50	BHAA	
ClC1=C[C@@H]2[C@H]3C=C[C@@H](c4ccccc43)[C@H]12	254814437	FNVIXLXSKVBQTP-FMSGJZPZSA-N	214.695	3.806	0	50	BHAA	
NC1(c2ccc(Cl)cc2)CCC(F)(F)CC1	255186975	AKBVMTIBSBCHKN-UHFFFAOYSA-N	245.700	3.703	0	50	BHAA	
O=C(CCCc1ccccc1)c1ccccc1	1712441	GBUMEGLMTNAXOM-UHFFFAOYSA-N	224.303	3.892	0	50	BHAA	in-vitro
Clc1cc(Br)c(Cl)s1	2168545	PBUHOXBSIQJRNO-UHFFFAOYSA-N	231.929	3.817	0	50	BHAA	in-vitro
FC(F)(F)c1ccc(C(F)(F)Cl)cc1	2243376	YDRVRFILFNVROV-UHFFFAOYSA-N	230.563	3.994	0	50	BHAA	biogenic,in-vitro
O=C1NC2(CCCCC2)C2=C(CCCC2)S1	22204492	FGVMFPWSAHFCTI-UHFFFAOYSA-N	237.368	3.974	0	50	BHAA	
CCN(CC)Cc1ccc(Cl)c(Cl)c1	39975169	FQHBDWOTXKVSRF-UHFFFAOYSA-N	232.154	3.835	0	50	BHAA	
O=C1c2ccccc2CN1c1ccccc1Cl	71773330	HWWYDUXROFMVDP-UHFFFAOYSA-N	243.693	3.500	0	50	BHAA	
Fc1cccc(F)c1OCc1ccccc1	75881899	ALXMAFHTTMQWSW-UHFFFAOYSA-N	220.218	3.544	0	50	BHAA	in-vitro
COC(=O)c1ccc(-c2ccccc2Cl)cc1	1258807	FUGXAENJUYIBDC-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
CC(C)c1ccccc1OCCCNC(C)(C)C	2898502	GPNBWXYTYNABIL-UHFFFAOYSA-N	249.398	3.967	0	50	BHAA	
CCCCSC(=O)Nc1ccccc1	3163461	RBMBWWIPNLXVQS-UHFFFAOYSA-N	209.314	3.752	0	50	BHAA	
O=Cc1ccc2c(ccn2Cc2ccccc2)c1	15424295	UGAFQBZJAVJZOV-UHFFFAOYSA-N	235.286	3.502	0	50	BHAA	in-vitro
Cc1ccc(Cl)c(-c2nc(C(C)C)no2)c1	65382581	RWRADVIBKDYSLO-UHFFFAOYSA-N	236.702	3.822	0	50	BHAA	
CCCC[C@H]1CCC[C@@H]1Nc1cc(C)ncn1	170624868	TWPDQADNWLYPSX-STQMWFEESA-N	233.359	3.556	0	50	BHAA	
C[C@H]1CCC[C@@H](CNC(=O)CCC(C)(C)C)C1	170634190	FXSBJSNJBZWHLV-QWHCGFSZSA-N	239.403	3.755	0	50	BHAA	
c1ccc2oc(-c3cccc4[nH]ncc34)cc2c1	224435588	LBQWUDMJXOLFSI-UHFFFAOYSA-N	234.258	3.976	0	50	BHAA	
O=C(c1cc2ccccc2s1)N1CCCCC1	166793	VBFYUICZPLLPON-UHFFFAOYSA-N	245.347	3.527	0	50	BHAA	
C=Cn1c(C(=O)O)cc(CC)c1-c1ccccc1	261203	FLAXOPKZWSUVJN-UHFFFAOYSA-N	241.290	3.516	0	50	BHAA	
Cc1cccc(C2(O)CCCCCC2)c1	2160088	MKYLGWYNYOPVSE-UHFFFAOYSA-N	204.313	3.537	0	50	BHAA	
Cc1ccc(C)c(NC(=O)/C=C/c2ccco2)c1	3070304	QMWPGWRCUOENAB-BQYQJAHWSA-N	241.290	3.548	0	50	BHAA	
O=C(Oc1cccc2ccccc12)c1ccco1	285328	LWYBXZAVXVKZKY-UHFFFAOYSA-N	238.242	3.652	0	50	BHAA	
CC1=CC(C)(C)N=C(S)N1c1ccc(C)cc1	5160586	BNKQZGSNBIHNBJ-UHFFFAOYSA-N	246.379	3.783	0	50	BHAA	
Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1C	6741180	WTGNWMRWCJMMDY-LLVKDONJSA-N	246.354	3.567	0	50	BHAA	
C1=CC[C@]23[C@H]4c5ccccc5[C@H]5[C@@H]6[C@@H]4[C@@H]2[C@@H]6[C@@]53C1	253588522	GIYFDWIXSJEAJA-CFYYPWQISA-N	232.326	3.709	0	50	BHAA	
CC(C)(C)c1ccccc1NC(=O)c1ccco1	4166721	CCISMCHNMNTBLA-UHFFFAOYSA-N	243.306	3.829	0	50	BHAA	
Cc1ccc(NC(=O)CC2CCCC2)cc1C	17154622	MWHKGOSMHMLLTH-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
C[C@@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	17427380	YJHVMPKSUPGGPZ-GUIRCDHDSA-N	224.388	4.000	0	50	BHAA	
Clc1ccnc2[nH]cc(Cc3ccccc3)c12	685943843	BZZADIJRDMGTNJ-UHFFFAOYSA-N	242.709	3.807	0	50	BHAA	
O=C(Nc1ccccc1)c1ccc(Cl)s1	126819	UWLLFOHTZBCYAA-UHFFFAOYSA-N	237.711	3.654	0	50	BHAA	
CCc1ccc(NC(=O)C2CCCCC2)cc1	441604	OFTABAZIQURXJL-UHFFFAOYSA-N	231.339	3.768	0	50	BHAA	
Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)o1	1053321	VPLUDHUVHJBEPX-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
CCCN(CCC)C(=O)[C@H](CC)c1ccccc1	2740370	SEHPOVAZFFMMPU-OAHLLOKOSA-N	247.382	3.829	0	50	BHAA	
CC(C)Oc1ccc([C@@H](CCN)C(C)C)cc1	5048167	UFIDCGUVRHXCHN-HNNXBMFYSA-N	235.371	3.562	0	50	BHAA	
CCCC(=O)Nc1nc2cc(C)c(C)cc2s1	16580814	SHGQUUGDUHJMFL-UHFFFAOYSA-N	248.351	3.652	0	50	BHAA	
N[C@@H](c1ccccc1)c1cccc2ccccc12	19803992	MKYLPACDIKGXSW-KRWDZBQOSA-N	233.314	3.888	0	50	BHAA	
NCc1ccccc1-c1ccc(F)c(Cl)c1	67771448	HHTZPCSVDLBPBW-UHFFFAOYSA-N	235.689	3.605	0	50	BHAA	
C=Cc1ccc(-c2ccc(C=O)cc2)cc1	147502007	PVFRQQZHGFVMSY-UHFFFAOYSA-N	208.260	3.809	0	50	BHAA	
CC(=O)[C@@H](C)c1cc2ccccc2s1	166212219	VONODQNXGPGXGS-MRVPVSSYSA-N	204.294	3.594	0	50	BHAA	
CC1(C)CCC=C(c2cccc(N)c2)C1	725246320	UXLFYLODSWHGBX-UHFFFAOYSA-N	201.313	3.862	0	50	BHAA	
Cc1cc(C)c(NC(=O)NC(C)(C)C)c(C)c1	399570	NOJVUIBITCVUCH-UHFFFAOYSA-N	234.343	3.532	0	50	BHAA	
CCC(C)(C)[C@H]1CCCC[C@@H]1OC(C)=O	410087	YEVACTAGDANHRH-RYUDHWBXSA-N	212.333	3.545	0	50	BHAA	endogenous,in-man
FC(F)(F)c1ccc(-n2cc[nH]c2=S)cc1	5117174	GEUKXLKPQGIDDE-UHFFFAOYSA-N	244.241	3.554	0	50	BHAA	in-vitro
CC1(C)COC(c2cc(Cl)cc(Cl)c2)=N1	6617215	PXPMDRRGOGDZLJ-UHFFFAOYSA-N	244.121	3.549	0	50	BHAA	
N[C@H](CCCOc1ccccc1)c1ccccc1	43458347	OFULAOXGJPMRMF-MRXNPFEDSA-N	241.334	3.546	0	50	BHAA	
CC(C)[C@H](c1ccccc1)N([O])C(C)(C)C	103621859	VGHCMXLEZFMZOZ-CYBMUJFWSA-N	220.336	3.830	0	50	BHAA	
CCCCOC(=O)Nc1c(C)cccc1CC	2171817	KWBORYKITOZEHE-UHFFFAOYSA-N	235.327	3.906	0	50	BHAA	
CC1(C)CC[C@]2(C)CC[C@@](C)(O)C[C@@H]2C1	5231403	QUCPCNJRVITJTP-IACUBPJLSA-N	210.361	3.754	0	50	BHAA	
Cc1ccc(NC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1	6699031	JIVJCDGYPKNGNX-STQMWFEESA-N	246.354	3.790	0	50	BHAA	
Clc1snc2ccc(Br)cc12	1857783730	XISOXEMXAFEMBR-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2)c(C)c1	102723	JYOOUGQLKSTNIY-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
COC(=O)c1ccc(-c2ccc(Cl)cc2)cc1	168458	UJIUMBFXWGXMOV-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
O=C(O)CC=C(c1ccccc1)c1ccccc1	393115	MGPHWSQUSKFMKT-UHFFFAOYSA-N	238.286	3.593	0	50	BHAA	
Clc1ccnc2ccc(Br)cc12	2566488	KJILYZMXTLCPDQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
c1ccc2cc([C@H]3CCCCN3)ccc2c1	3734690	KIKVKRHNBPMOMC-OAHLLOKOSA-N	211.308	3.654	0	50	BHAA	in-vitro
COc1ccc(Oc2ccc(N)cc2Cl)cc1	8730344	VUEVZDKXGIAABF-UHFFFAOYSA-N	249.697	3.723	0	50	BHAA	in-vitro
Nc1cccc2c1[C@H]1CC[C@H]2C1=C(Cl)Cl	118579853	VLBAAZYGJAXMBQ-HTQZYQBOSA-N	240.133	3.933	0	50	BHAA	in-vitro
Cc1ccncc1NC(=O)[C@H](C)C1CCCCC1	1875327769	KMBBZQXTAKMYIS-GFCCVEGCSA-N	246.354	3.545	0	50	BHAA	
O=C(Nc1ccccc1F)c1cccc(Cl)c1	399566	BSDMLWVBFHVIFD-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
c1ccc(NCCCNc2ccccc2)cc1	1847900	JQMRSZJEVQNIPB-UHFFFAOYSA-N	226.323	3.601	0	50	BHAA	
Fc1cc(Br)ccc1C(F)(F)F	2572589	OEPBVXQEVBURGC-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)Nc2ccccc2F)c1	4539197	LMYPHGHTPJNUET-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
CCCCN(CCCC)C(=O)OCC(C)C	149161780	BAGZNMSPKRGKFK-UHFFFAOYSA-N	229.364	3.681	0	50	BHAA	
CC[C@H](C)Nc1ncnc2c1oc1ccccc12	539427	BTUCAYJFGUDYAF-VIFPVBQESA-N	241.294	3.586	0	50	BHAA	
CC(C)C(=O)Nc1ccc(Cl)c(Cl)c1	2742353	VVFDYYARGWIPOT-UHFFFAOYSA-N	232.110	3.588	0	50	BHAA	
CCCCC(=O)NC[C@H](CC)CCCC	2749688	DDCHZGHPXAAQOZ-GFCCVEGCSA-N	213.365	3.509	0	50	BHAA	
Cc1cccc(NC(=O)[C@H](C)c2ccccc2)c1	9879682	NZSBEENYAAJCCB-CYBMUJFWSA-N	239.318	3.737	0	50	BHAA	
Cc1ccc(-c2cc(F)cc(C(=O)O)c2)cc1F	65350085	VWFBNXPZVSDSJZ-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
C[C@@H]1CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C	239402526	QTLDMKVNVOUSIV-MPKXVKKWSA-N	232.323	3.714	0	50	BHAA	biogenic
CCOC(=O)Nc1cc(Cl)ccc1Cl	65315	SCMZOTXVHRALSK-UHFFFAOYSA-N	234.082	3.562	0	50	BHAA	in-vitro
CC[C@H](C)NCCOc1ccccc1[C@@H](C)CC	2821945	QYSLGTNIVKGQRX-KBPBESRZSA-N	249.398	3.967	0	50	BHAA	
CCCCNCCCCOc1ccc(C)cc1	2902829	QCNDCUWWUNACHM-UHFFFAOYSA-N	235.371	3.544	0	50	BHAA	
Cc1cc(NC2CCCC2)nc2ccccc12	5010393	YLQCFSNTGVFNKX-UHFFFAOYSA-N	226.323	3.898	0	50	BHAA	
CCCCc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1	13326457	PTHMXNSLMJDRJA-FZMZJTMJSA-N	231.339	3.624	0	50	BHAA	
Cc1[nH]c2ccccc2c1C(=O)c1ccccc1	32256795	CNUDXZIIVQXZPC-UHFFFAOYSA-N	235.286	3.707	0	50	BHAA	
Cc1ccc(C(=O)NC2CCCCCC2)c(C)c1	514540	JVGJSOKZKSVFJK-UHFFFAOYSA-N	245.366	3.756	0	50	BHAA	
CN(C)[C@H](Cc1ccccc1)c1ccccc1	1481867	YEJZJVJJPVZXGX-MRXNPFEDSA-N	225.335	3.532	0	50	BHAA	in-man
Cc1cccc(NC(=O)c2cccs2)c1C	3058142	UQQWMPABSUZYGP-UHFFFAOYSA-N	231.320	3.617	0	50	BHAA	
S=c1[nH]c2ccccc2n1-c1ccccc1	3124962	JKIGHOGKGARVAG-UHFFFAOYSA-N	226.304	3.688	0	50	BHAA	in-vitro
Oc1cc(-c2ccccc2)ccc1Cl	32150558	JLOLMJZKXRFOOE-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	in-vitro
Nc1ccc(-c2ccc(F)c(Cl)c2)cc1	33427803	ACUVTXWUIMEPBL-UHFFFAOYSA-N	221.662	3.728	0	50	BHAA	in-vitro
O=C(O)c1cccc(Cl)c1Oc1ccccc1	44559910	BPAFTJNLMQWIBU-UHFFFAOYSA-N	248.665	3.831	0	50	BHAA	
CC(=O)Nc1ccc(NC2(C)CCCCC2)cc1	257373335	WUYRDZPQDNTNNI-UHFFFAOYSA-N	246.354	3.780	0	50	BHAA	
Cc1ccccc1NC(=O)c1ccccc1C	226128	KBOSBZUAAMLSFQ-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	in-vitro
C[C@@H](Oc1ccc(C=O)cc1)c1ccccc1	615690	LMMGNTKBNYFCSQ-GFCCVEGCSA-N	226.275	3.639	0	50	BHAA	
Clc1cccc([C@@H]2CCCCN2)c1Cl	2582623	SVTIFKIPTUYJLE-JTQLQIEISA-N	230.138	3.808	0	50	BHAA	
Clc1cccc([C@H]2CCCCN2)c1Cl	3734595	SVTIFKIPTUYJLE-SNVBAGLBSA-N	230.138	3.808	0	50	BHAA	
FC(F)(F)c1cccc([C@H]2CCCCN2)c1	3734693	LNGYJPKFIYPWIT-LLVKDONJSA-N	229.245	3.520	0	50	BHAA	in-vitro
CCCCOc1cc(O)cc(C(F)(F)F)c1	261493746	IKTYWOIFIWGJCT-UHFFFAOYSA-N	234.217	3.590	0	50	BHAA	
CC(C)COc1ccc2cc(O)ccc2c1	261493853	KSIIIZIRVFDMHR-UHFFFAOYSA-N	216.280	3.580	0	50	BHAA	
CCCCNCCCCOc1cccc(C)c1	2900421	RFGVPAXZBFGPNH-UHFFFAOYSA-N	235.371	3.544	0	50	BHAA	
Cc1ccc(F)cc1NC(=O)c1ccc(F)cc1	3566322	MZCOJVHTTRCMIA-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Cc1ccc([C@H](CC(=N)O)c2ccco2)cc1	4318596	HAVMGYMMQGJJBT-LBPRGKRZSA-N	229.279	3.645	0	50	BHAA	
Cc1ccc(NC(=O)c2cccc(F)c2)c(F)c1	15314045	WGKUAHJDXBMSHV-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC(C)C(=O)Nc1ccc(OC2CCCC2)cc1	58666272	FUNSGKRYQLXIEG-UHFFFAOYSA-N	247.338	3.603	0	50	BHAA	
Cc1cccc(Cl)c1C(=O)Nc1ccccc1	88346087	CPCKYTVKZDZSBA-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
COC(=O)c1ccc(-c2ccc(C)c(F)c2)cc1	97757073	CFFCGUQNYOFJHS-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1cc(Cl)cc2c(Br)c[nH]c12	238506757	AXCTZGBUMSTFNP-UHFFFAOYSA-N	244.519	3.892	0	50	BHAA	
CC[C@@H]1CC[C@@H](CC)P1c1ccc[cH-]1	1857777676	QLOSXFZQDYYXEM-VXGBXAGGSA-N	207.277	3.864	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccc(C)c(F)c2)c1	45865	PXRWLIZVDVINLM-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1nc(=S)c2c3c(sc2[nH]1)CCCC3	1560364	YLQYIQCHQZYLQB-UHFFFAOYSA-N	236.365	3.541	0	50	BHAA	
Cc1ccc2occ(C(F)(F)F)c2c1	96113476	XVSNADYLWAIKGS-UHFFFAOYSA-N	200.159	3.760	0	50	BHAA	
CCCOc1ccc(Cl)c2cccnc12	225388811	FMJKPVGWYYIWSM-UHFFFAOYSA-N	221.687	3.677	0	50	BHAA	
COc1ccccc1C1SCCCS1	400543	MDUCGIRKSXVGBH-UHFFFAOYSA-N	226.366	3.564	0	50	BHAA	
COc1ccc(Cl)cc1[C@H]1CCCCCN1	3734927	ORNGGIPWYFRDGN-GFCCVEGCSA-N	239.746	3.553	0	50	BHAA	
O=Cc1ccc(Sc2ccccc2)cc1	2003724	VDNBWBPUFMZCEW-UHFFFAOYSA-N	214.289	3.650	0	50	BHAA	in-vitro
CC(C)=CCC[C@H](C)NCc1ccco1	2119199	GZZLMYUOYGEEIK-LBPRGKRZSA-N	207.317	3.504	0	50	BHAA	biogenic
C(=C/c1nc(-c2ccccc2)no1)\c1ccccc1	4171366	BKSWQGPNTNYZEH-VAWYXSNFSA-N	248.285	3.907	0	50	BHAA	
CC1(C)C[C@@]23CC=CC[C@]2(CSC3)C1	101037440	DPXSUEVJWDWVCV-CHWSQXEVSA-N	208.370	3.876	0	50	BHAA	
C[Si](C)(C)[C@]12C[C@@H]3c4ccccc4[C@H]1[C@H]32	257357972	RAVBWLMGHFXDGK-ZOBORPQBSA-N	214.384	3.980	0	50	BHAA	
O=Cc1cccc(OCc2ccccc2Cl)c1	37200	OTLSMICKILTJEI-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
C[C@H](NCc1ccc(F)cc1)c1ccccc1	357571	HSJNHKWTWTXYLV-LBPRGKRZSA-N	229.298	3.677	0	50	BHAA	
c1ccc(CSc2ccccc2)cc1	1687431	LKMCJXXOBRCATQ-UHFFFAOYSA-N	200.306	3.979	0	50	BHAA	in-vitro
Cc1cc(Br)cc(C)c1Cl	2243448	PKTXUGAXFJNLQR-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	in-vitro
CC(C)Oc1ccc(Cl)cc1Br	2545229	QAUSOWDJGCCCRE-UHFFFAOYSA-N	249.535	3.890	0	50	BHAA	in-vitro
Cc1cc(Br)c(C)c(C)c1C	3121839	XPQHSKLGANLLRE-UHFFFAOYSA-N	213.118	3.683	0	50	BHAA	biogenic
Fc1c(Cl)ccc(Cl)c1Br	85477179	GMIMUZZZXQHIAX-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
Cc1cc(C)cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1	101635555	WIUIFGQEVWZRCG-KCQAQPDRSA-N	243.350	3.678	0	50	BHAA	
CSC(=S)c1cccc2ccccc12	401283	AGFZUWXGHUIPNE-UHFFFAOYSA-N	218.346	3.878	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)o1	473814	DMRFTLVCIDOZSP-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
Cc1cc(Cl)c2cccc(Cl)c2n1	2564340	TYOVSFHFYHSADG-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
COc1cc2ccccc2cc1[C@@H]1CCCCN1	3734630	PTGITDOOISCMOK-HNNXBMFYSA-N	241.334	3.663	0	50	BHAA	
Clc1ccc2nc(Br)ccc2c1	38540981	CZRQPBUNCHUQAN-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
COc1ccc(OC)c2c1[C@H]1C=C[C@H]2C1=C(C)C	101037455	HPQIDDUNGWBTGC-QWRGUYRKSA-N	242.318	3.791	0	50	BHAA	
CCCCOc1c(OC)ccc(Cl)c1F	261494238	SMDUVUWDLNRHNX-UHFFFAOYSA-N	232.682	3.667	0	50	BHAA	
Cc1ccc(F)c(NC(=O)c2csc(C)c2)c1	2785338	KBIDXJVYGMRQIX-UHFFFAOYSA-N	249.310	3.756	0	50	BHAA	
CC(C)c1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1	5696397	SALKRYBXVDVQGA-XUJVJEKNSA-N	245.366	3.643	0	50	BHAA	
Cc1ccc(C)c(NC(=O)N2CCC[C@H](C)C2)c1	6700176	GKKIBRGSRHNKTC-LBPRGKRZSA-N	246.354	3.567	0	50	BHAA	
CCOc1ccc2ccccc2c1CNC(C)C	10436117	RVOJHWBFLUTFDD-UHFFFAOYSA-N	243.350	3.737	0	50	BHAA	
O=Cc1ccc(SCc2ccccc2)cc1	39310902	NAEZWYYYMVTEIV-UHFFFAOYSA-N	228.316	3.791	0	50	BHAA	in-vitro
CC(C)Oc1cc(Cl)ccc1Br	261493988	NJHCWMVAHGUNGF-UHFFFAOYSA-N	249.535	3.890	0	50	BHAA	
COc1cc(OC(F)F)c(Cl)cc1Cl	263622977	COVVMKRSKHYTRY-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
CC(C)(C)S[C@H]1CC(=O)CCC1(C)C	725361045	KLZMKGJTKQOVDR-JTQLQIEISA-N	214.374	3.666	0	50	BHAA	
CC(C)CCSc1nc2ccccc2[nH]1	106941	FMYZISVQEBCWQS-UHFFFAOYSA-N	220.341	3.701	0	50	BHAA	
CCCCNC(C)(C)Cc1ccc(C(C)=O)cc1	96027985	AGYNXEUNITYQFG-UHFFFAOYSA-N	247.382	3.600	0	50	BHAA	
Cc1cc(N2CCCCC2)nc2ccccc12	100060796	USYRQXDHKXGTCK-UHFFFAOYSA-N	226.323	3.534	0	50	BHAA	in-vitro
C[C@@H]1[C@@H](NCc2cccs2)CCC[C@H]1C	238854623	OOCOMBWGZIHIQR-MDZLAQPJSA-N	223.385	3.662	0	50	BHAA	
Cc1cc(C)c2c(C)c3c(nc2c1)O[C@@H](C)CC3	257355091	LOKRNFHHPZEJLL-NSHDSACASA-N	241.334	3.874	0	50	BHAA	
CC(=O)c1cc2c(cc1C)NC(C)(C)C[C@H]2C	334160414	DHVPHAXLFLPTMP-SNVBAGLBSA-N	231.339	3.895	0	50	BHAA	
CC1(C)CCC=C(c2ccc(C=O)o2)C1	725244932	BUEAXLJOQLCXKW-UHFFFAOYSA-N	204.269	3.686	0	50	BHAA	
CCCOc1cccc(-c2cnn(CC)c2C)c1	2356150975	LEZPJOKFFFJWFS-UHFFFAOYSA-N	244.338	3.667	0	50	BHAA	
Cc1nc2cc3sc(C)nc3cc2s1	3655159	SLDSUXINRYHMCN-UHFFFAOYSA-N	220.322	3.523	0	50	BHAA	in-vitro
CC1(C)C[C@@H]1C(=O)Oc1cccc2ccccc12	4947862	KYNHVOXLGDUPDI-CYBMUJFWSA-N	240.302	3.791	0	50	BHAA	
CCc1ccccc1NC(=O)Nc1ccccc1	399166	IIUPXRCEFFDLEJ-UHFFFAOYSA-N	240.306	3.893	0	50	BHAA	
CC(=O)Oc1c(Cl)cc(Cl)cc1Cl	1577718	RFOCPJZGJNKBOI-UHFFFAOYSA-N	239.485	3.572	0	50	BHAA	
CCC(=O)O[C@@H](C)[C@@H](CC)c1ccccc1	3137281	OASFSUPPTYRXOE-WCQYABFASA-N	220.312	3.522	0	50	BHAA	
CCCCCCc1ccc(C(=O)O)s1	5792454	PZDADHXWGFTYAK-UHFFFAOYSA-N	212.314	3.569	0	50	BHAA	in-vitro
C[C@@H]1[C@@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C	37263051	BWVZAZPLUTUBKD-SPJHXALWSA-N	236.399	3.856	0	50	BHAA	
CCCC(=O)c1ccc(Br)c(C)c1	49830393	ZIQTVVDEDLNVKS-UHFFFAOYSA-N	241.128	3.740	0	50	BHAA	in-vitro
CCCOc1ccc(Br)cc1Cl	59953042	JAICOXYASSTHJJ-UHFFFAOYSA-N	249.535	3.891	0	50	BHAA	in-vitro
c1coc(CNc2ccnc3ccsc23)c1	301340859	FYWCAGLEYZXXGT-UHFFFAOYSA-N	230.292	3.501	0	50	BHAA	
c1ccc(-c2csc(-c3ccncc3)n2)cc1	171861	KDWADCDCAPDAQP-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
Cc1cc(C)cc(-c2nc3cc(N)ccc3o2)c1	291216	PHCRBRNKOXAHLA-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
Cc1ccc(C(=O)c2cc(F)cc(F)c2)cc1C	4255044	RKQQHDNCOWFGPM-UHFFFAOYSA-N	246.256	3.813	0	50	BHAA	
C[C@H]1CC[C@H](C)N1CCCC(=O)c1ccccc1	96027801	HGKYRGFXUDYROZ-KBPBESRZSA-N	245.366	3.522	0	50	BHAA	
c1csc(-c2cncc(-c3cccs3)n2)c1	139623246	VMTDGCHDJXMJMI-UHFFFAOYSA-N	244.344	3.934	0	50	BHAA	
FC(F)c1cc(-c2cnc(Cl)s2)ccn1	725273560	KXEGCVSIBUUJRN-UHFFFAOYSA-N	246.669	3.796	0	50	BHAA	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(O)c1ccccc1	16972731	CFNBWILWJDXHSR-NUEKZKHPSA-N	230.351	3.720	0	50	BHAA	
COc1cccc2c(Cl)cc(Cl)nc12	19721901	YQPQBGCONUUZNN-UHFFFAOYSA-N	228.078	3.550	0	50	BHAA	in-vitro
FC(F)(F)c1ccc(C(F)(F)F)s1	33978903	POAZWYVLVJSZEO-UHFFFAOYSA-N	220.137	3.786	0	50	BHAA	
C[C@@H]1[C@@H]2C[C@@H](C[C@@H]2[C@H]2CCC[C@H](O)C2)C1(C)C	38272535	BWVZAZPLUTUBKD-HCDMYHGNSA-N	236.399	3.856	0	50	BHAA	
Cc1cccc(C)c1Nc1cccc(O)c1	81991154	ZQHONSDEIKIIGH-UHFFFAOYSA-N	213.280	3.753	0	50	BHAA	in-vitro
O=Cc1ccccc1-c1c(F)cccc1Cl	390377489	UJVTVPYHJIZLIB-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1)c1ccccc1	61522	PJFPJLMLHHTWDZ-UHFFFAOYSA-N	231.682	3.592	0	50	BHAA	in-vitro
CC1CCC2(CC1)Nc1ccccc1CO2	546764	WZGDLFIVMZPRCH-UHFFFAOYSA-N	217.312	3.535	0	50	BHAA	
Cc1ccc(-c2nc3ccccc3[nH]2)cc1C	4754776	AFKXUOXOEGHSDX-UHFFFAOYSA-N	222.291	3.847	0	50	BHAA	
CC[C@H](C)NCCCCOc1ccc(C)cc1	4913876	LKRNOKZSLXTROO-AWEZNQCLSA-N	235.371	3.542	0	50	BHAA	
CCOC(=O)/C=C(\C)CC/C=C(/C)CC	4976359	MODMWHHYLXRMMA-XNGMQHMOSA-N	210.317	3.632	0	50	BHAA	
C[C@H](NC1CCCCC1)c1ccccc1	13468221	CDGLTZQYNKEYOI-LBPRGKRZSA-N	203.329	3.670	0	50	BHAA	
CC(C)(C)c1cc(F)cc(Br)c1	91251916	NEZOQSYMVSKUSO-UHFFFAOYSA-N	231.108	3.886	0	50	BHAA	in-vitro
Oc1ccccc1-c1ccc(Cl)cc1	6095508	DSSULPPMTATCMP-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	in-vitro
c1ccc(-c2cc3ccccc3s2)nc1	35904495	NRSBAUDUBWMTGL-UHFFFAOYSA-N	211.289	3.963	0	50	BHAA	in-vitro
CC(C)(C)COc1ccc(Br)cc1	41288105	AWFIDQHILKXJOV-UHFFFAOYSA-N	243.144	3.874	0	50	BHAA	in-vitro
COC(=O)c1ccc(Cl)c(-c2ccccc2)c1	97757003	QAVQOZLGAHUNJA-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
CC(C)(C)[S@@](=O)Nc1cccc2ccccc12	200968224	QXKJKFSTLBPSBX-QGZVFWFLSA-N	247.363	3.714	0	50	BHAA	
C[C@H]1CCCCCN1C(=O)OCc1ccccc1	224514521	XVVUGXCKFNIIHZ-ZDUSSCGKSA-N	247.338	3.588	0	50	BHAA	
CCCCOc1cccc(Cl)c1F	261493570	DUCKUGBAPVQHCW-UHFFFAOYSA-N	202.656	3.658	0	50	BHAA	
COc1ccc(O)c(-c2cccc(C(C)C)n2)c1	426567126	RFFQUUONWURASJ-UHFFFAOYSA-N	243.306	3.586	0	50	BHAA	
Fc1ccc(-c2ccnc(C(F)F)c2)c(F)c1	725273713	XFWCQCYYAYCQCH-UHFFFAOYSA-N	241.187	3.964	0	50	BHAA	
Cc1nc2cc(-c3c(C)n[nH]c3C)ccc2s1	1240126474	YYSBZCSPKLPBDR-UHFFFAOYSA-N	243.335	3.612	0	50	BHAA	
Cc1nc(-c2ccc3c(c2F)CCC3)cs1	2325873924	YYKWSDMUSIHBQT-UHFFFAOYSA-N	233.311	3.746	0	50	BHAA	
N#CN1c2ccccc2C=Cc2ccccc21	404101	KMJHZCLHURUEKI-UHFFFAOYSA-N	218.259	3.790	0	50	BHAA	
ClC(Cl)(Cl)C(Cl)(Cl)Cl	8585890	VHHHONWQHHHLTI-UHFFFAOYSA-N	236.740	3.727	0	50	BHAA	in-vitro
CC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1	10120572	PKDNDJWHIITRPR-SSDOTTSWSA-N	246.137	3.522	0	50	BHAA	
C[C@@H](/C=C/Br)c1ccccc1	137851474	HOSFCNKKWFRZGG-FLOXNTQESA-N	211.102	3.699	0	50	BHAA	
CCCNC(=O)Nc1ccccc1[C@H](C)CC	6726566	FXNJKPYVUCOZPL-LLVKDONJSA-N	234.343	3.732	0	50	BHAA	
Oc1ccc(-c2ccc(Cl)cc2)cc1F	65340817	CEEPKACGNYODSN-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	in-vitro
Fc1cc(Cl)c(Br)cc1Cl	65356433	JDIVDAGRBSOJTL-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	
Cc1[nH]c2ccccc2c1CN1CCCCCC1	200385	ADAQPGHRUBPWHZ-UHFFFAOYSA-N	242.366	3.852	0	50	BHAA	
Cc1ccc(C(=O)Oc2ccccc2C)cc1	363510	IEKFWPTVAIWBBX-UHFFFAOYSA-N	226.275	3.523	0	50	BHAA	
CC(C)Sc1cc(C(=O)O)ccc1Cl	389072	OMHHCDSZRSKDCC-UHFFFAOYSA-N	230.716	3.539	0	50	BHAA	
Cc1cc(C(=O)Nc2ccc(C)c(C)c2)c(C)o1	8804229	LHRPEFSKHOPOIB-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
c1ccc(Cc2nccc3ccccc23)cc1	13208960	IZTUINVRJSCOIR-UHFFFAOYSA-N	219.287	3.826	0	50	BHAA	biogenic
Oc1ccc(-c2ccccc2Br)cc1	20391340	XESUCEJPGYWGSK-UHFFFAOYSA-N	249.107	3.822	0	50	BHAA	
Fc1ccc(CCCCN2CCCCC2)cc1	20858305	JMIOQSDATDRYMK-UHFFFAOYSA-N	235.346	3.634	0	50	BHAA	
C[C@H](CSCc1ccno1)c1ccccc1	272157404	NGIJAMTWSIKPHG-LLVKDONJSA-N	233.336	3.712	0	50	BHAA	
Clc1c(-c2ccccc2)nc2ccccn12	390661	JAJDCKJVJPINNW-UHFFFAOYSA-N	228.682	3.655	0	50	BHAA	
Cc1ccccc1-c1nc(-c2cccs2)no1	16527106	HGZUXEWWHNAHBU-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
CC(C)(C)Oc1ccc(C(F)(F)F)cc1	34752440	YXTJJRXJNYHJPU-UHFFFAOYSA-N	218.218	3.883	0	50	BHAA	in-vitro
Fc1cccc2c(Cl)c(Cl)cnc12	41702315	VBOOTOZCRFUTOK-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	in-vitro
CCO[C@@H](C)c1ccc(-c2c(C)n[nH]c2C)cc1	67679253	RVTOWAWBFOCKTN-LBPRGKRZSA-N	244.338	3.791	0	50	BHAA	
CC(=O)CCCSCc1ccc(Cl)cc1	159114915	HFHYXPDQFYSAEP-UHFFFAOYSA-N	242.771	3.942	0	50	BHAA	
O=C1CC[C@H](c2ccccc2)c2ccc(O)cc21	303114	IHHCACIVDBWLHA-CYBMUJFWSA-N	238.286	3.501	0	50	BHAA	biogenic
Clc1ccc(-c2nc3ncccc3o2)cc1	4624171	GCTURZCXNIZQLL-UHFFFAOYSA-N	230.654	3.543	0	50	BHAA	
CCCCNCCCCCOc1ccccc1	4997262	XSFCOMWLZZPTAN-UHFFFAOYSA-N	235.371	3.625	0	50	BHAA	
CC(C)(C)c1nc(-c2cscn2)cs1	242339149	ZFHRUHXVUXSDAT-UHFFFAOYSA-N	224.354	3.564	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1cccc(C)c1C	30530	LUZDMRIMYTYLRZ-NSHDSACASA-N	219.328	3.678	0	50	BHAA	
Clc1ccc2nc(Cl)nc(Cl)c2c1	16123583	VUPOGEZMJNDSHI-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	in-vitro
Cc1ccnc(NC(=O)CCC2CCCCC2)c1	19881255	DTDPKLFLLWCJKR-UHFFFAOYSA-N	246.354	3.689	0	50	BHAA	
CCC[C@@H](C)NC(=O)c1ccc(C)cc1Cl	71754906	WNOFZGKNLODHAE-SNVBAGLBSA-N	239.746	3.567	0	50	BHAA	
C=Cc1ccc(OC(=O)OC(C)(C)C)cc1	56882	GJWMYLFHBXEWNZ-UHFFFAOYSA-N	220.268	3.644	0	50	BHAA	
Cc1ccc(OCCCCNC(C)(C)C)cc1	2380014	AKGQHOPWGQUJLY-UHFFFAOYSA-N	235.371	3.542	0	50	BHAA	
Cc1ccc2nc(-c3ccccc3)cnc2c1	2598949	WDQMFTVDIKDPJI-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	
C=CC(=O)Nc1ccc(Nc2ccccc2)cc1	113428821	HKLPOBRVSAUJSG-UHFFFAOYSA-N	238.290	3.555	0	50	BHAA	
CCC(C)(C)[C@H]1CCC(=O)C[C@@H]1SC	725358971	ARBOCMLOWWDZOW-QWRGUYRKSA-N	214.374	3.523	0	50	BHAA	
Cn1cc(-c2nc3ccccc3[nH]2)c2ccccc21	442109	VAOJPVFGQGCSBH-UHFFFAOYSA-N	247.301	3.722	0	50	BHAA	
CC(C)c1cc(C(=O)Nc2cccnc2)cs1	16602829	TZODFZIBCSAZHC-UHFFFAOYSA-N	246.335	3.519	0	50	BHAA	
COc1ccccc1SCc1ccccc1	34633045	TZFDIWVKNFJGDH-UHFFFAOYSA-N	230.332	3.988	0	50	BHAA	
C/C=C(/C)[C@@H]1C=CC[C@@H]1C(=O)C1=CCCC1	43762202	IOVQAQLJBIXUOM-CCJFWJKHSA-N	216.324	3.824	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1	144826906	LQIOEAYPILVWDF-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1	472537	REZODZWQJWOHTR-UHFFFAOYSA-N	248.329	3.962	0	50	BHAA	
C1=C(CCNCc2ccccc2)CCCC1	2132373	RTJNHLXWVAXRBH-UHFFFAOYSA-N	215.340	3.667	0	50	BHAA	in-vitro
CC(=C=CC(C)(C)[C@@H]1NCCO1)CCC=C(C)C	2496319	LROQSEFFFMGVQF-NZDRZINCSA-N	249.398	3.806	0	50	BHAA	
CCn1c2ccccc2c2cc(C(=O)O)ccc21	4245078	QZQNANUJNRAGPZ-UHFFFAOYSA-N	239.274	3.513	0	50	BHAA	
Clc1ccccc1/C=C\c1ccccn1	13282673	YEZHQUGOABFELJ-HJWRWDBZSA-N	215.683	3.905	0	50	BHAA	
O=Cc1ccc2sc3ccccc3c2c1	32302031	QFGXAEFJJINHAI-UHFFFAOYSA-N	212.273	3.867	0	50	BHAA	
O=C1c2ccccc2Cc2cc3ccccc3cc21	44559818	MVAUFAJEEOAALP-UHFFFAOYSA-N	244.293	3.975	0	50	BHAA	
CS[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(C)o2)C1	195541116	QVTMFWVSLCTHDI-QJPTWQEYSA-N	239.384	3.523	0	50	BHAA	
Brc1cccc(C23CC(C2)C3)c1	237992945	ODBPBNBUHXZZHW-UHFFFAOYSA-N	223.113	3.501	0	50	BHAA	
Cc1ncccc1-c1cccc(Cl)c1F	669380385	LOAKRVGVJQIRSA-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
O=Cc1sccc1-c1ccc(F)c(F)c1F	725272750	UTSPKXOENKHNTO-UHFFFAOYSA-N	242.221	3.645	0	50	BHAA	
Nc1ccccc1-c1ccc(Cl)cc1	1621381	JPBWZIPCMDZOPM-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
CCCCC(=O)c1ccc(OCCC)cc1	2784345	RRSMRBGHKGHINT-UHFFFAOYSA-N	220.312	3.848	0	50	BHAA	
O=Cc1ccc(Oc2cccc(Cl)c2)cc1	12956546	BGMYGFFWBQIXHN-UHFFFAOYSA-N	232.666	3.945	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)s2)c(C)c1	20432657	DPTMNNPYLZJREA-UHFFFAOYSA-N	232.304	3.730	0	50	BHAA	in-vitro
Cc1cnnc(-c2cccc(OC(C)C)c2)c1C	2356153311	AYNYTLVJARAXEB-UHFFFAOYSA-N	242.322	3.548	0	50	BHAA	
O=C(O)Cc1ccc(-c2ccc(Cl)cc2)cc1	1257448	LDEMYLVVZJLDFL-UHFFFAOYSA-N	246.693	3.634	0	50	BHAA	in-vitro
CCCCN(CCCC)C(=O)CC(C)(C)C	2772452	VKKCXSJCZAHXIY-UHFFFAOYSA-N	227.392	3.851	0	50	BHAA	
CCCC(CCC)C(=O)Nc1ccccc1	4868402	ROHAROKRAREQAZ-UHFFFAOYSA-N	219.328	3.842	0	50	BHAA	
CC[C@@](C)(O)c1ccc(Cl)c(Cl)c1	53146736	SZFLMSXKIZPHKN-SNVBAGLBSA-N	219.111	3.611	0	50	BHAA	
O=Cc1cccnc1Sc1ccccc1Cl	168677	FRPYJWKYGZKDLZ-UHFFFAOYSA-N	249.722	3.699	0	50	BHAA	
c1ccc(SCc2nc3ccccc3[nH]2)cc1	1400653	MAXQKPNEYWTEHI-UHFFFAOYSA-N	240.331	3.855	0	50	BHAA	
Clc1ccc(CC2CCNCC2)cc1Cl	2513151	JROWTKYJKHIRGD-UHFFFAOYSA-N	244.165	3.536	0	50	BHAA	in-vitro
O=Cc1ccc2sc3ccc(C=O)cc3c2c1	3132405	LFAGMIMSUYTWDN-UHFFFAOYSA-N	240.283	3.680	0	50	BHAA	
Cc1cccc(-c2noc(-c3ccoc3C)n2)c1	6697897	HIKVTPKNRXRYCB-UHFFFAOYSA-N	240.262	3.613	0	50	BHAA	
CCn1ncc(-c2cccc(OC(C)C)c2)c1C	2100539306	BOVPSRSNNOSSAH-UHFFFAOYSA-N	244.338	3.666	0	50	BHAA	
O=C1C[C@H](c2ccccc2)[C@@H](c2ccccc2)C1	1716903	HHRAKSMWUCTDPI-IAGOWNOFSA-N	236.314	3.917	0	50	BHAA	
Oc1ccc(-c2cc3ccc(O)cc3s2)cc1	3581478	MDGWZLQPNOETLH-UHFFFAOYSA-N	242.299	3.980	0	50	BHAA	in-vivo
C[C@H](NCc1ccccc1)C1CCCCC1	34279050	OMHARYGQHXTRHT-ZDUSSCGKSA-N	217.356	3.745	0	50	BHAA	
c1ccc2c(c1)C1c3ccccc3C2[C@@H]2C[C@H]12	71784962	CIDHTKPJWDPQRW-RYTJFDOTSA-N	218.299	3.914	0	50	BHAA	
CC1(C)c2ccccc2-c2cc(N)ccc21	146720219	GAGIQOAHYUJVFT-UHFFFAOYSA-N	209.292	3.575	0	50	BHAA	
CC[C@H](C)NC(=O)Nc1cccc(Cl)c1C	137443	SIGFYRGTTYZYCT-QMMMGPOBSA-N	240.734	3.568	0	50	BHAA	
Cc1ccccc1NC(=O)Nc1ccccc1C	242824	WVYBLYKUAKXDLA-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
CC(=O)Nc1ccc2c(c1)[C@@H](C)c1ccccc1-2	393063	CWMXBOWBENDGOR-JTQLQIEISA-N	237.302	3.777	0	50	BHAA	
CC(C)(C)C(=O)Nc1cccc2ccccc12	407571	WZWCXOSWDDQLSM-UHFFFAOYSA-N	227.307	3.824	0	50	BHAA	
Cc1ccccc1Cn1c(C)nc2ccccc21	2695412	YUAAKHMUHFDSQF-UHFFFAOYSA-N	236.318	3.701	0	50	BHAA	
CCC(CC)C(=O)N[C@H](C)CCc1ccccc1	2774299	CAOIJKUTGJQLIX-CYBMUJFWSA-N	247.382	3.560	0	50	BHAA	
Clc1ccc([C@H]2CCCCCN2)cc1	3734886	QVSTXCOTKAOQEW-GFCCVEGCSA-N	209.720	3.545	0	50	BHAA	in-vitro
CCCCCC[S@@](=O)Cc1ccccc1	4015437	PHCIFWWBMFKHLL-HNNXBMFYSA-N	224.369	3.516	0	50	BHAA	
c1ccc(-c2ccnc3nc4ccccc4n23)cc1	13691715	ILSXMAUAOIZOBA-UHFFFAOYSA-N	245.285	3.550	0	50	BHAA	
CC[C@@H](c1cccnc1)N(C)Cc1ccsc1	65526398	CGVYGIIDAROPBL-AWEZNQCLSA-N	246.379	3.726	0	50	BHAA	
O=C([C@@H]1CC=CCC1)N1CCC[C@H]2CCCC[C@H]21	152772024	LJKOXWQCEZCOGD-RBSFLKMASA-N	247.382	3.524	0	50	BHAA	
COc1cccc(-c2ccc(F)cc2C)c1OC	725264256	RTUCHOHYAZXSCV-UHFFFAOYSA-N	246.281	3.818	0	50	BHAA	
CN1C=CC=CC1=CC=C1C=Nc2ccccc21	1857525203	DHWBPQRIUWVLJR-UHFFFAOYSA-N	234.302	3.685	0	50	BHAA	
Cn1ccc2cc(OCc3ccccc3)ccc21	393927	JMFZKYABNMMQHH-UHFFFAOYSA-N	237.302	3.757	0	50	BHAA	
CC(C)NC(=O)Nc1c(Cl)cccc1Cl	397368	VMPFTLYFFVBBES-UHFFFAOYSA-N	247.125	3.523	0	50	BHAA	
Cc1cc(C)c2[nH]c3sc(C)nc3c2c1	546283	FSMKABOIZFWWOX-UHFFFAOYSA-N	216.309	3.703	0	50	BHAA	
Fc1ccc2ncc(Cl)c(Cl)c2c1	41702303	NGPMJBMQUTZLKP-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	in-vitro
Cc1ccccc1-c1ccccc1C(C)(C)N	1239503185	SAFLPQUOKFCYQY-UHFFFAOYSA-N	225.335	3.856	0	50	BHAA	
O[C@@H](c1ccccc1)c1ccc(F)c(Cl)c1	4242467	BFCPCEKFMIVJPF-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	
Cc1ccc(-c2ccc(C=O)s2)s1	5747404	HLFSBWRCOPCECM-UHFFFAOYSA-N	208.307	3.598	0	50	BHAA	
Fc1cc(Br)cc(C(F)F)c1	66312866	OPTDWHOFDCKSSE-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	
CNc1nc(-c2ccc(Cl)cc2)cs1	1372383	IGABRTJMXKNZKJ-UHFFFAOYSA-N	224.716	3.505	0	50	BHAA	
CC(C)(c1ccccc1)c1ccc(OC#N)cc1	1630060	SUXGZGQKIFLKOR-UHFFFAOYSA-N	237.302	3.872	0	50	BHAA	
CC(=O)c1cccc(SC(F)(F)F)c1	2560222	UKKYMJZZMADIAV-UHFFFAOYSA-N	220.215	3.501	0	50	BHAA	
Cc1cccc([C@@]23CCCC[C@@H]2CCCN3)c1	96026856	QCXFOUMRLGBMSF-GDBMZVCRSA-N	229.367	3.764	0	50	BHAA	
C1=CC[C@]23[C@H]4c5ccccc5[C@H]5[C@@H]6[C@@H]4[C@@H]2[C@@H]6[C@]53C1	253588525	GIYFDWIXSJEAJA-YYNWCRCSSA-N	232.326	3.709	0	50	BHAA	
CC(C)C(=O)Nc1cc(Cl)ccc1Cl	29782	VOCOLIKSFJGAIB-UHFFFAOYSA-N	232.110	3.588	0	50	BHAA	
Fc1ccc([C@@H]2Cc3ccccc3N2)cc1	2534055	NUOTVARVLBUZBZ-AWEZNQCLSA-N	213.255	3.535	0	50	BHAA	in-vitro
CCN(CC)CCOc1cccc(C(C)C)c1	5024207	HCNLDLXAIBSIPG-UHFFFAOYSA-N	235.371	3.531	0	50	BHAA	
CSc1ccc(-c2cccc(O)c2)cc1	16946991	CYAMPGMNFHKIQR-UHFFFAOYSA-N	216.305	3.781	0	50	BHAA	
Fc1cc(S)c(Cl)cc1Br	36533080	JWGLFGYVAMVYPB-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
Cc1cccc2c1Oc1ccccc1CC2=O	66055233	GKHIHRYGKFTENO-UHFFFAOYSA-N	224.259	3.526	0	50	BHAA	
Fc1cc(F)c(C(F)(F)F)cc1Cl	163698365	DEURDGHYJUPYGR-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
CC[C@H](C)c1ccccc1NC(=O)[C@H]1C[C@H]1C	239306092	GKALCFQHWDCYST-LOWVWBTDSA-N	231.339	3.795	0	50	BHAA	
Cc1cnc(OCc2ccccc2)c(Cl)c1	261493877	LEEDFNLKFPPNOC-UHFFFAOYSA-N	233.698	3.622	0	50	BHAA	
CCCC[C@@H](C(=O)c1ccccc1)N1CCCC1	299817192	KYIJLDDXQWBNGX-HNNXBMFYSA-N	245.366	3.524	0	50	BHAA	in-vitro
CCOc1ccc(Cl)c(Br)c1	134722763	JOCIOLXCHCQGJA-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	
C[C@H]1CCC(=O)C[C@@H]1SC1CCCCC1	725362369	RYVHGIBOFPRHKU-GWCFXTLKSA-N	226.385	3.810	0	50	BHAA	
CC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1	198805	GMSXJBHZLZLIEQ-ZETCQYMHSA-N	246.137	3.522	0	50	BHAA	
CC(=O)c1ccc2c(c1)c1ccccc1n2C	1869309	RMOVJQZTZDJESW-UHFFFAOYSA-N	223.275	3.534	0	50	BHAA	
Cc1cc(C)c(OCCCNC(C)(C)C)c(C)c1	2899169	RUYQTDNKQTVYCK-UHFFFAOYSA-N	249.398	3.769	0	50	BHAA	
CCC(=O)c1ccc(OC)c(-c2ccccc2)c1	36200927	IMBULEUMFOSZDO-UHFFFAOYSA-N	240.302	3.955	0	50	BHAA	
CC[C@@H](NC(=O)C(C)C)c1ccc(C)c(C)c1	72117548	ZKSJCDMKSMGFDP-CQSZACIVSA-N	233.355	3.527	0	50	BHAA	
[CH]1[CH][CH][C](P([C]2[CH][CH][CH][CH]2)c2ccccc2)[CH]1	103597932	BVKFQOMDAAWMLD-UHFFFAOYSA-N	236.254	3.519	0	50	BHAA	
CCCCNc1ccc(-c2ccon2)cc1	901482527	GQRALEYUGMOLQT-UHFFFAOYSA-N	216.284	3.554	0	50	BHAA	
CC(=O)c1ccc(C2CCCCC2)cc1	1081064	MSDQNIRGPBARGC-UHFFFAOYSA-N	202.297	3.937	0	50	BHAA	in-vitro
Cc1ccc(-c2cnc3ccccc3n2)cc1	1431407	CHWOJQPQAWFQEY-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	
CCN(CC)CCNc1cccc2ccccc12	2169679	AMZRCWDZLLMPBU-UHFFFAOYSA-N	242.366	3.594	0	50	BHAA	in-vitro
O=C(O)c1ccc(-c2cccc(Cl)c2)cc1	2574059	SJIVTXJWSYIMDG-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
C[C@H]1CC2(CCCC2)NCc2ccccc21	3881309	WMTBEZWEXCXXOQ-LBPRGKRZSA-N	215.340	3.596	0	50	BHAA	
Cc1ccccc1NC(=O)Nc1ccc(F)cc1	4826989	FJXYZNCWLFXRAY-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
CC(C)c1nccn1Cc1ccccc1Cl	34176118	SUPLUIVAEOHHJM-UHFFFAOYSA-N	234.730	3.708	0	50	BHAA	
O[C@H]1C=C2CCCCCCCC[C@@]3(C=C[C@@H]13)C2	71786384	CWTBTFRMCVMCBT-HRCADAONSA-N	232.367	3.984	0	50	BHAA	
Clc1ccc(Br)c2occc12	141572785	FRFKOGIDFNTSBY-UHFFFAOYSA-N	231.476	3.849	0	50	BHAA	
C/C(=C\c1ccccc1)CNC1CCCC1	167448583	GOUWBFSSOGDTFS-ACCUITESSA-N	215.340	3.622	0	50	BHAA	
C[C@H]1CCCC[C@@H]1NC(=O)CCCC(C)(C)C	170621181	URXIKBCJQXTMDC-STQMWFEESA-N	239.403	3.898	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1CCNCc1ccccc1	720412489	ABVHCAJEERDSAJ-GDBMZVCRSA-N	231.383	3.993	0	50	BHAA	
Cc1ccc(-c2nc(-c3ccccc3)no2)cc1	88033	QXOSABCPDHNIAL-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
O=C(O)c1cc(-c2ccccc2)nc2ccccc12	125047	YTRMTPPVNRALON-UHFFFAOYSA-N	249.269	3.600	0	50	BHAA	biogenic,world
COc1cc(C(F)(F)F)cc(C(F)(F)F)c1	165691	HQZFGUOTUIHWLR-UHFFFAOYSA-N	244.134	3.733	0	50	BHAA	
Cc1nc2c(ccc3sccc32)s1	281249	SHVICLDRELWJPH-UHFFFAOYSA-N	205.307	3.819	0	50	BHAA	
CC(C)c1ccc(NC(=O)C2CCCC2)cc1	1016961	OQQWVZOAFZSRSU-UHFFFAOYSA-N	231.339	3.939	0	50	BHAA	
Cc1ccc(OCCCCN2CCCC2)cc1C	2494273	CILPRZCQDSLDBS-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
CCCCCC[S@](=O)Cc1ccccc1	2900665	PHCIFWWBMFKHLL-OAHLLOKOSA-N	224.369	3.516	0	50	BHAA	
Cc1ccc([C@H](C)NC(=O)C(C)(C)C)cc1C	72115680	LWXHWISKELSEJB-LBPRGKRZSA-N	233.355	3.527	0	50	BHAA	
Cc1nc2cc(-c3nccs3)ccc2s1	1242896950	CEYJATLYEGXHKW-UHFFFAOYSA-N	232.333	3.728	0	50	BHAA	
COc1nscc1-c1cc(F)cc2ccoc12	1875341986	RYBDIZMSRLMJJN-UHFFFAOYSA-N	249.266	3.704	0	50	BHAA	
C=C(c1ccc(OC)cc1)c1ccc(OC)cc1	392381	OTWNHTGTCBAVGG-UHFFFAOYSA-N	240.302	3.765	0	50	BHAA	
O[C@H](c1ccc(Cl)cc1)c1cccc(F)c1	4242478	YOKJZIUNZKHALC-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	in-vitro
CC(C)=CCC[C@H](C)C[C@@H]1OC[C@@H](C)O1	4991100	LSKGUOZAKOLOMT-YNEHKIRRSA-N	212.333	3.520	0	50	BHAA	
C[C@](O)(c1ccccc1)c1ccc(Cl)cc1	34245418	MHJLXHJZQCHSIT-AWEZNQCLSA-N	232.710	3.596	0	50	BHAA	
COC(=O)c1cccc(-c2ccc(F)c(C)c2)c1	97757074	FUWCKJBIMZJZGM-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC[C@@H]1[C@H](C)CCN1Cc1ccc(F)cc1F	170599706	HRPXUIMTWUNKED-QMTHXVAHSA-N	239.309	3.585	0	50	BHAA	
c1ccc2c(-c3ccc4n[nH]cc4c3)ccnc2c1	1240210938	VYDFXXNOXXBKRR-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
CC[C@H](NC(=O)c1ccccc1)c1ccccc1	296161	QGSOSTJHIZFYPP-HNNXBMFYSA-N	239.318	3.568	0	50	BHAA	biogenic
CCc1ccc2c3c(ccc2[n+]1CC)CCCC3	5471506	CMNQNSUBXPHPSJ-UHFFFAOYSA-N	240.370	3.588	0	50	BHAA	
Clc1ccc2[nH]c(C3CCCC3)nc2c1	34482453	DPZKRKRVGHXULJ-UHFFFAOYSA-N	220.703	3.874	0	50	BHAA	
Oc1cc(Cl)cc(-c2cc(F)ccc2F)c1	65343222	NXRGYGJARPGKJA-UHFFFAOYSA-N	240.636	3.991	0	50	BHAA	
Cc1cc(C)c(CNc2ccc(C)nc2)c(C)c1	149817321	SHEWMEGWCZXZLV-UHFFFAOYSA-N	240.350	3.927	0	50	BHAA	
CC(=O)c1cc(F)c(N2CCC(C)CC2)cc1C	97980	GKQBVPKEHHUNOZ-UHFFFAOYSA-N	249.329	3.573	0	50	BHAA	
O=C(O)c1ccc(Sc2ccccc2)cc1	396612	WRZVDYSYXLKRNN-UHFFFAOYSA-N	230.288	3.536	0	50	BHAA	in-vitro
Clc1ccc(-c2csc3cccc[n+]23)cc1	397484	ZUDVHNBZXUFJBS-UHFFFAOYSA-N	246.742	3.807	0	50	BHAA	
Cc1cc2nc(Cl)c(Cl)nc2cc1C	2568913	NKBSIBTVPNHSIK-UHFFFAOYSA-N	227.094	3.553	0	50	BHAA	in-vitro
Clc1ccc2[nH]cc(Br)c2c1	14982222	DYTMTLPTFUWUSO-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
Fc1cc(F)c(Cl)c(C(F)(F)F)c1	83351218	YAOBMQFGHMUUBG-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
C1=CC[C@]23CSC[C@]2(C1)CC1(CC1)C3	101037429	FGBVDHXKTWZOMH-STQMWFEESA-N	206.354	3.630	0	50	BHAA	
CCCOc1ccc(Cl)c(Cl)c1	201057965	CWBJYNQDPBXJMT-UHFFFAOYSA-N	205.084	3.782	0	50	BHAA	
Clc1ccc(NCc2ccco2)cc1	586733	SORYCONFCUFJND-UHFFFAOYSA-N	207.660	3.545	0	50	BHAA	in-vitro
c1ccc(-c2ccc(C3CCNCC3)cc2)cc1	19835057	LLCOFJXNVPRWLK-UHFFFAOYSA-N	237.346	3.821	0	50	BHAA	in-vitro
CCC(CC)c1nc2c(cnn2[C@H](C)CC)[nH]1	48371782	YRZQQQPSDWZPDO-SECBINFHSA-N	234.347	3.634	0	50	BHAA	
CC1(C)[C@H]2C[C@H]1[C@](C)(c1ccccc1)CC2=O	101144209	NLBJUGJRDAHKFJ-BJJXKVORSA-N	228.335	3.579	0	50	BHAA	
CCOc1ccc(F)c(Cl)c1Cl	261494017	OBAFQXAMVRTEKG-UHFFFAOYSA-N	209.047	3.531	0	50	BHAA	
CC1(C)CCC=C(c2ccc(N)cc2)C1	725245964	NHZZTLRWBDRXOO-UHFFFAOYSA-N	201.313	3.862	0	50	BHAA	
Cc1cc(-c2cccc3sncc23)ccn1	1875339933	CYKHJVLFHOKWHE-UHFFFAOYSA-N	226.304	3.667	0	50	BHAA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@]2(C)C[C@H]12	101037368	MFBMSFICEUZSLU-CVXDLRIPSA-N	244.334	3.705	0	50	BHAA	
CC[C@H](NC)c1cc(Cl)cc(Cl)c1	168856293	OQQUGBIOHFRBTF-JTQLQIEISA-N	218.127	3.664	0	50	BHAA	
CC(C)[C@H](C)Nc1nnc(-c2ccccc2)s1	170623489	HARDDADPVCMWKX-JTQLQIEISA-N	247.367	3.662	0	50	BHAA	
C=C(F)c1cccc(-c2c(C)noc2C)c1	1875290262	LISAZWIRQLXQLP-UHFFFAOYSA-N	217.243	3.899	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2C)cc1	38486	UKZCQNUSSCDZFJ-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
CCN(C(=O)Nc1ccccc1)c1ccccc1	41952	NCPIMZDJJZLMCF-UHFFFAOYSA-N	240.306	3.745	0	50	BHAA	biogenic
CC[C@@H](C)SCc1nc2ccccc2[nH]1	459995	RRYWOQQYUUCKJK-SECBINFHSA-N	220.341	3.595	0	50	BHAA	
Clc1cccc([C@H]2CCCCCN2)c1	3734887	DKVBGAPRKMGQCO-GFCCVEGCSA-N	209.720	3.545	0	50	BHAA	in-vitro
CC1(C)CC[C@]2(C)CC[C@](C)(O)C[C@@H]2C1	5231406	QUCPCNJRVITJTP-YUTCNCBUSA-N	210.361	3.754	0	50	BHAA	
O=Cc1ccc(SCCc2ccccc2)cc1	34302130	MVWNVKZPINUKPN-UHFFFAOYSA-N	242.343	3.834	0	50	BHAA	
O=C(Oc1ccccc1Cl)C1CCCCC1	149080	CVAIHALBNQCWTA-UHFFFAOYSA-N	238.714	3.826	0	50	BHAA	
O=C(Nc1cccc2ccccc12)c1ccco1	225720	UDKTYZBSNANXPE-UHFFFAOYSA-N	237.258	3.685	0	50	BHAA	
COc1cc(C)c(CN2CCC[C@H](C)C2)cc1C	279439	CBOPVCLWJJSXBV-LBPRGKRZSA-N	247.382	3.544	0	50	BHAA	
Cc1cccc(C)c1NC(=O)Oc1ccccc1	397307	AHAAHACLFHNTIF-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
O=C(O)CCC1(c2ccccc2)CCCCC1	1593420	VEXWNPRZTYRANF-UHFFFAOYSA-N	232.323	3.753	0	50	BHAA	
CSc1ccc(Cl)cc1Br	90413339	DITHVXVBKLNBHZ-UHFFFAOYSA-N	237.549	3.824	0	50	BHAA	in-vitro
c1ccc(Nc2cccc3[nH]ccc23)cc1	225507908	DYTHHWMNWFCZPV-UHFFFAOYSA-N	208.264	3.912	0	50	BHAA	
Clc1ccsc1CSc1nncs1	240894840	IQGWPCVGSSDEQV-UHFFFAOYSA-N	248.785	3.545	0	50	BHAA	
Clc1ccc(-c2cn3ccsc3n2)cc1	23689	TTXYDMVOVAJTCI-UHFFFAOYSA-N	234.711	3.716	0	50	BHAA	
CCCC[C@@H](CC(=O)OCC)c1ccccc1	2171100	OFJIDOTWHOWUGE-AWEZNQCLSA-N	234.339	3.914	0	50	BHAA	
Clc1ccc2cnc(Br)cc2c1	66322877	NAABYMOOMLEFPU-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CCCCOc1ccc(O)cc1C(F)(F)F	261493433	AYXAGOYAVAFSOG-UHFFFAOYSA-N	234.217	3.590	0	50	BHAA	
O=C(Nc1ccccc1)c1ccccc1Cl	61526	AXQVIWHAEYLGLO-UHFFFAOYSA-N	231.682	3.592	0	50	BHAA	in-vitro
CC(C)(C)c1sc(N)nc1-c1ccccc1	241326	CNMGPWGMAPXPOX-UHFFFAOYSA-N	232.352	3.690	0	50	BHAA	
O=C(c1cc(Cl)ccc1Cl)C(F)(F)F	2579840	HXPJKNUPFSLMBO-UHFFFAOYSA-N	243.011	3.738	0	50	BHAA	
c1ccc2c(NC3CCCCC3)nccc2c1	5739959	JYYZNEHURPLOKZ-UHFFFAOYSA-N	226.323	3.979	0	50	BHAA	
Cc1ccc(OCCCSC(C)C)cc1	16512439	YSQOKQUMNZZKIT-UHFFFAOYSA-N	224.369	3.906	0	50	BHAA	
Cc1ccc(NC(=O)N2[C@@H](C)CCC[C@H]2C)cc1	17919208	JIVJCDGYPKNGNX-BETUJISGSA-N	246.354	3.790	0	50	BHAA	
CCOC1(OCC)C[C@@]2(C)CC[C@H]1C2(C)C	100782407	PXTXIHCAZPCYCG-WCQYABFASA-N	226.360	3.602	0	50	BHAA	
Cc1ccc(-n2cc(C=O)c3ccccc32)cc1	503600478	MXXNIXCXKKSTJJ-UHFFFAOYSA-N	235.286	3.751	0	50	BHAA	in-vitro
N[C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2	4343198	RKXNBHCKARUOTD-QUZGTJOHSA-N	241.378	3.903	0	50	BHAA	
CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@H](C1)C2(C)C	43199022	ZMMCKTGRRVVQIW-NEPJUHHUSA-N	236.355	3.568	0	50	BHAA	
[C-]#[N+]c1cccc(OCc2ccccc2)c1	214970733	NEOLHGTUGWHEMW-UHFFFAOYSA-N	209.248	3.816	0	50	BHAA	in-vitro
O=C1[C@H]2CCCC[C@H]1[C@]13[C@H]4CC[C@@H](C4)[C@@H]1CC[C@H]23	257355524	BBFNGMXFOXPNBH-IGEOSGLQSA-N	244.378	3.818	0	50	BHAA	
CC[C@@H]1CCC(=O)C[C@H]1SC(C)(C)C	725363109	XZZPKMFIYRWNDK-MWLCHTKSSA-N	214.374	3.666	0	50	BHAA	
Cc1ccc(-c2noc(-c3cccs3)n2)cc1	280924	ZBIZYSIIJRBDSE-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
Cc1ccccc1C(=O)Nc1cccc(Cl)c1	395815	ZNBNLMVCJLGUKS-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
C[C@@H]1CCC[C@H](OC(=O)NC2CCCCC2)C1	401720	ZSWOWLYGELNBNI-YPMHNXCESA-N	239.359	3.624	0	50	BHAA	
Cc1cccc(-c2ccc(C(=O)O)o2)c1Cl	457067	UDWLWCSHRVWSCM-UHFFFAOYSA-N	236.654	3.607	0	50	BHAA	
Cc1c(Br)cccc1C(F)(F)F	2525219	OYFKTZQGAWXNTI-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	biogenic,in-vitro
CCn1c(-c2ccccc2)csc1=S	5341875	PZHPVNNBZFFIQF-UHFFFAOYSA-N	221.350	3.966	0	50	BHAA	
CCCCc1ccccc1NC(=O)NCCC	6698747	CCMFYSCKPSBEBU-UHFFFAOYSA-N	234.343	3.561	0	50	BHAA	
Cc1cccc(Br)c1OC(C)C	40571711	OGSJAYXEZDMQMV-UHFFFAOYSA-N	229.117	3.545	0	50	BHAA	
Cc1nccnc1-c1cc(Cl)ccc1Cl	65453569	ITYQDOVBFRDXHP-UHFFFAOYSA-N	239.105	3.759	0	50	BHAA	
C[C@H](CC(=O)O)C1=C[C@]2(C)C[C@H]2CC(C)(C)C1	71786233	JSIYILXJZQYKNQ-IXPVHAAZSA-N	236.355	3.870	0	50	BHAA	
CCCC[C@@H](CC)C(=O)OCc1ccccc1	5821735	FHCYNCMLCRSWSM-CQSZACIVSA-N	234.339	3.946	0	50	BHAA	
CSc1ccccc1-c1cccc(C(=O)O)c1	65336919	BAFFLHNQRDYNJA-UHFFFAOYSA-N	244.315	3.774	0	50	BHAA	
CC(C)(C)OC(=O)c1cc(Cl)c(F)cc1F	113668470	JXZKTDJNUFYICB-UHFFFAOYSA-N	248.656	3.574	0	50	BHAA	in-vitro
CCCCCC[C@H]1CC[C@@H](C(=O)O)CC1	168515526	POEBGIQSFIJHAX-HAQNSBGRSA-N	212.333	3.848	0	50	BHAA	
CC(C)[Si](c1ncco1)(C(C)C)C(C)C	169964457	PBDIANQBYUQMPW-UHFFFAOYSA-N	225.408	3.560	0	50	BHAA	in-vitro
C[C@@H]1[C@H]2C[C@@H](C[C@H]2C2CCC(O)CC2)C1(C)C	252430861	PCFHYANYPQEMPU-LVXVEBQZSA-N	236.399	3.856	0	50	BHAA	
c1ccc(CN[C@H]2CC[C@H]2c2ccccc2)cc1	888093266	RDQIJTUJJKZYSB-IRXDYDNUSA-N	237.346	3.722	0	50	BHAA	
CCc1ccccc1NC(=O)OCc1ccco1	397386	CUPQLQJOFVNQHV-UHFFFAOYSA-N	245.278	3.591	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)NC(C)(C)C	400181	HJSPOSBLBAIHCA-UHFFFAOYSA-N	240.734	3.568	0	50	BHAA	
CC[C@@H](F)CCn1ccc2ccccc21	96032890	DJQBLVURAATKGQ-GFCCVEGCSA-N	205.276	3.780	0	50	BHAA	in-vitro
Cc1cc(Cl)cnc1OCc1ccccc1	261493939	MFMRGPDZHWVTOB-UHFFFAOYSA-N	233.698	3.622	0	50	BHAA	
CCO[C@H](C)c1ccc(-c2nccnc2C)cc1	426623162	DPSJGZRHRQAUDL-GFCCVEGCSA-N	242.322	3.550	0	50	BHAA	
COc1ccc(OC)c(/C=C\c2ccccc2)c1	4887338	KUPZMZKMMSWRSG-HJWRWDBZSA-N	240.302	3.874	0	50	BHAA	
C[C@@H]1[C@@H](c2ccccc2)C[C@@H](C(=O)O)C1(C)C	15188763	YANDMRONFZDPSQ-WXHSDQCUSA-N	232.323	3.537	0	50	BHAA	
CCCCCn1cc(C(=O)O)c2ccccc21	20582724	HAPJUNILBCTRIJ-UHFFFAOYSA-N	231.295	3.530	0	50	BHAA	in-vitro
Oc1ccccc1OCc1ccc(Cl)cc1	36896857	HLGYOADPWXCQJC-UHFFFAOYSA-N	234.682	3.625	0	50	BHAA	
O[C@H]1Cc2cc(Cl)ccc2Oc2ccccc21	214478731	BOBLKKDSKFFQDH-LBPRGKRZSA-N	246.693	3.722	0	50	BHAA	
Fc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1	236207381	MXAHUTQJHIBFAU-JHJVBQTASA-N	248.345	3.992	0	50	BHAA	
C[C@@H]1CCC[C@@]1(c1ccccc1)[C@H]1CCCCN1	261361574	ZXEQNXYHWFKBDF-DJIMGWMZSA-N	243.394	3.887	0	50	BHAA	
CCc1cccc(NC(=O)c2ccccc2F)c1	50068	MEIBXZVUORYFAV-UHFFFAOYSA-N	243.281	3.640	0	50	BHAA	
CCOc1c(C(C)C)cc(N)cc1C(C)C	90683	MVYPNOFNSHDMDD-UHFFFAOYSA-N	221.344	3.914	0	50	BHAA	
Clc1ccc(Cn2cnc3ccccc32)cc1	388851	UFLCBIQQTOCIHZ-UHFFFAOYSA-N	242.709	3.738	0	50	BHAA	
O=C(c1ccc(F)c2ccccc12)C(F)(F)F	2378599	YOOFZZWESGTEOK-UHFFFAOYSA-N	242.171	3.724	0	50	BHAA	
Cc1cccc(C(=O)c2ccc(F)c(F)c2)c1	4255216	TZPCVKVITUAADB-UHFFFAOYSA-N	232.229	3.504	0	50	BHAA	
Oc1cc(Cl)cc(-c2ccc(F)cc2F)c1	65343202	ZHRZAGROKDMNIZ-UHFFFAOYSA-N	240.636	3.991	0	50	BHAA	
Cc1nc2cc(-c3ccc(O)cc3)ccc2s1	117308769	YLEULBJHTKWJKH-UHFFFAOYSA-N	241.315	3.977	0	50	BHAA	
O=Cc1cc2c(s1)C=Cc1ccccc1C2	334072	GVIZOIUGHOBJER-UHFFFAOYSA-N	226.300	3.635	0	50	BHAA	
Cc1cccc(Sc2ccc(N)cc2)c1	400048	GUVLAGOBWZSPIJ-UHFFFAOYSA-N	215.321	3.728	0	50	BHAA	biogenic
CC(=O)c1ccc2oc3ccccc3c2c1	4254221	QZSVCHFRQANVHN-UHFFFAOYSA-N	210.232	3.789	0	50	BHAA	
CCc1oc2c(Cl)cc(N)cc2c1C	19093007	ZGBMURRPALHAGS-UHFFFAOYSA-N	209.676	3.539	0	50	BHAA	
CC1=C[C@@H]2CC(C)(C)C[C@]23[C@H]1C(=O)C[C@H]3C	71786069	ZWLCLLFZJIEGQO-NLRBGTRBSA-N	218.340	3.594	0	50	BHAA	
C[C@H]1OCC[C@H]1SCc1sccc1Cl	225795090	NIERQKIPPHOPKM-VXNVDRBHSA-N	248.800	3.812	0	50	BHAA	
FC(F)(F)c1n[nH]c(-c2ccccc2)c1Cl	57699	RJIXEBOSMSSXJC-UHFFFAOYSA-N	246.619	3.749	0	50	BHAA	
c1ccc(CCCCc2ccncc2)cc1	1592121	KWNUYWYHEVXYCI-UHFFFAOYSA-N	211.308	3.647	0	50	BHAA	
Cc1ccccc1OCCCCn1cccc1	16667587	OCFSFCYVYJXZMQ-UHFFFAOYSA-N	229.323	3.656	0	50	BHAA	
Clc1ccc(N2CCCC2)cc1Cl	16677914	IQYQDUDDTDRSLW-UHFFFAOYSA-N	216.111	3.594	0	50	BHAA	in-vitro
CC1=Nc2ccccc2Cc2ccccc21	71774243	LBRPQFQBZCXJLL-UHFFFAOYSA-N	207.276	3.732	0	50	BHAA	
Cc1cc(Br)c(O)c2ccccc12	143475103	SXIKUWDEHINVTR-UHFFFAOYSA-N	237.096	3.616	0	50	BHAA	
Cc1cc(C)c2c(c1N)[C@H](C)CC2(C)C	669374542	JFECLCFJQIZGIL-SNVBAGLBSA-N	203.329	3.670	0	50	BHAA	
C=Cc1ccc(-c2c(F)cccc2C=O)cc1	725241470	RWBKEJFEZSWOKQ-UHFFFAOYSA-N	226.250	3.948	0	50	BHAA	
CC[C@@H](C)S[C@H]1CC(=O)CCC1(C)C	725360796	JVAPOWFKMAJHCI-KOLCDFICSA-N	214.374	3.666	0	50	BHAA	
Cc1ccccc1CNCCC1=CCCCC1	2132376	OSVQHCJYCVPPKY-UHFFFAOYSA-N	229.367	3.975	0	50	BHAA	in-vitro
CC(=O)c1cc(Cl)cc(C(F)(F)F)c1	2527779	HRGMIFUPRXVREB-UHFFFAOYSA-N	222.593	3.561	0	50	BHAA	in-vitro
Cc1c(Cl)cc2nc(S)oc2c1Cl	6008375	HXLKSPUYOZZJBE-UHFFFAOYSA-N	234.107	3.732	0	50	BHAA	
c1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccccc21	20129801	QWQGGLGOFRUHPH-QZTJIDSGSA-N	249.357	3.951	0	50	BHAA	
CCCc1ncc(-c2cccc([C@@H](C)OC)c2)[nH]1	426403541	QOYPVSRVIVSVFH-LLVKDONJSA-N	244.338	3.737	0	50	BHAA	
CC(C)Cc1ccc([C@H](C)C(=O)NC(C)C)cc1	185541	IVAMFXSKBHJYMQ-ZDUSSCGKSA-N	247.382	3.513	0	50	BHAA	
COc1cccc(CNc2cc(C)ccc2C)c1	435845	PPDZKXPBIGWANX-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
CN1c2ccccc2C=C[C@@H]1c1ccccc1	2173403	QDGNTAWQJUIARL-MRXNPFEDSA-N	221.303	3.891	0	50	BHAA	
CC[C@@H](C)c1ccccc1OCCCCN(C)C	4914181	YLKCJJZXKHPLMA-CQSZACIVSA-N	249.398	3.921	0	50	BHAA	
O=C(CCC1CCCC1)N1CCCCCCC1	6728946	XBNWIIFAAFUBHC-UHFFFAOYSA-N	237.387	3.750	0	50	BHAA	
Cc1ccc(C(F)(F)C(F)(F)F)cc1	66330600	GNYDVGCKILRJRP-UHFFFAOYSA-N	210.145	3.649	0	50	BHAA	in-vitro
CC1=C[C@H](C)[C@H](CNCc2ccco2)[C@H](C)C1	1208581	YHIFVIYJGMJLIA-GUTXKFCHSA-N	233.355	3.608	0	50	BHAA	
CCCCNCc1ccc(Cl)c(C)c1	125465606	VEJHYJHXURXANZ-UHFFFAOYSA-N	211.736	3.538	0	50	BHAA	
CO[C@H](C)c1ccc(-c2nccn2C(C)C)cc1	426567141	SZLMELQHOZWSTL-GFCCVEGCSA-N	244.338	3.838	0	50	BHAA	
Cc1ccc(N2CCS[C@H]2c2ccco2)cc1	53524	UZHUAKAMVQJXMK-AWEZNQCLSA-N	245.347	3.840	0	50	BHAA	
Cc1cc(Br)c2cccc(C)c2n1	2564350	KWILRJMGQJUZIQ-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	in-vitro
O=C(O)c1ccccc1Nc1cccc(Cl)c1	4099441	OVMWPVYEBVFZHM-UHFFFAOYSA-N	247.681	3.782	0	50	BHAA	in-vitro
Cc1ccc(NC(=S)NC2CCCC2)cc1C	8682783	YLIQIMOIJAEMCF-UHFFFAOYSA-N	248.395	3.532	0	50	BHAA	
Cc1cccc(C)c1NC(=O)CC1CCCC1	12852235	YTHWJEUNGSQFPH-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
CC(C)=CCN[C@@H]1CCCC[C@@H]1C(F)(F)F	124219648	PVOIFZGYKRDEJD-WDEREUQCSA-N	235.293	3.663	0	50	BHAA	
O=C(Nc1ccccc1C1CC1)c1cccs1	312566	KUHLLNGQADNYIC-UHFFFAOYSA-N	243.331	3.878	0	50	BHAA	
CC[C@H](C(=O)N1CCCC[C@@H]1C)c1ccccc1	444022	IGSQQCDDDKDUEQ-ZFWWWQNUSA-N	245.366	3.581	0	50	BHAA	
CC(C)(C)CC(C)(C)NCc1ccccc1	1687220	SRNCZQHDQZRJHU-UHFFFAOYSA-N	219.372	3.991	0	50	BHAA	
Cc1ccccc1NC(=O)N1[C@@H](C)CCC[C@@H]1C	6730103	GPLJPVVSNMQVHK-STQMWFEESA-N	246.354	3.790	0	50	BHAA	
CCc1ccc(Nc2ncc(C(C)=O)s2)cc1	12336561	QYELBLGFCXDABS-UHFFFAOYSA-N	246.335	3.652	0	50	BHAA	
Cc1nccc(-c2ccc(Cl)cc2Cl)n1	65455715	SASBTUNJGRZNHV-UHFFFAOYSA-N	239.105	3.759	0	50	BHAA	
CC(=O)c1cc(Cl)cc(C)c1Cl	263624503	RCUNVUJXIPRCDX-UHFFFAOYSA-N	203.068	3.504	0	50	BHAA	
Cc1ccc(NC(=O)Nc2ccc(C)cc2)cc1	110924	HIIZOYBOCSCLPH-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	biogenic
Clc1ccc(-c2nnsc2Cl)cc1	168597	UUMPICDKKJNEFE-UHFFFAOYSA-N	231.107	3.512	0	50	BHAA	
CC[C@@]1(CC(C)(C)c2ccccc2)OC[C@@H](C)O1	451666	UDBZSGMJLUTCPL-CZUORRHYSA-N	248.366	3.896	0	50	BHAA	
CC1(C)c2ccccc2C(=O)c2ccccc21	1038974	GWFCYDIAPRIMLA-UHFFFAOYSA-N	222.287	3.557	0	50	BHAA	in-vitro
C=Cc1cccc(NC(=O)c2cccs2)c1	4808686	IRGUKFXNEPTKNW-UHFFFAOYSA-N	229.304	3.643	0	50	BHAA	
CCc1ccc(C(=O)N2CCCCCCC2)cc1	6742239	YAISPZGSUIICSI-UHFFFAOYSA-N	245.366	3.655	0	50	BHAA	
CC(C)=CCC[C@@H](C)NCCC[C@H]1CCOC1	20999766	WXWCRVKRXILBDY-CABCVRRESA-N	239.403	3.528	0	50	BHAA	
CCCC(=O)c1ccc2c(ccn2CC)c1	142790193	JDZYFEFGZIOXRC-UHFFFAOYSA-N	215.296	3.644	0	50	BHAA	
Cc1ccc2c(Cl)nc(C(F)(F)F)nc2c1	616570727	OEQFONHTVCAODC-UHFFFAOYSA-N	246.619	3.610	0	50	BHAA	
CCCCCOc1ccc(C2=CCC(=O)O2)cc1	5502956	STOWXACGFZRHFF-UHFFFAOYSA-N	246.306	3.543	0	50	BHAA	
CCn1c2ccccc2n2cc(C(C)(C)C)nc12	23549737	GTCVDBRBMVRJTE-UHFFFAOYSA-N	241.338	3.606	0	50	BHAA	
CC[C@H]1C(C2(O)CCCCC2)=CC[C@H]1C	43762277	ZXXZEMXFTGKDRY-VXGBXAGGSA-N	208.345	3.674	0	50	BHAA	
CC(C)c1ccc(-c2ccc(F)cc2F)nn1	142711474	OBUKNLDPAVZOSF-UHFFFAOYSA-N	234.249	3.545	0	50	BHAA	
COc1ccc(Cl)cc1-c1c[nH]nc1C1CC1	952986521	ZZQREDCCXSGVKY-UHFFFAOYSA-N	248.713	3.616	0	50	BHAA	
c1ccc(Sc2nc3ccccc3s2)nc1	343835	BGAZQFOCUBDLQK-UHFFFAOYSA-N	244.344	3.843	0	50	BHAA	
CCOc1ccccc1CNC1CCCCC1	6703202	QPPRKBWGXLRDFB-UHFFFAOYSA-N	233.355	3.508	0	50	BHAA	
C[C@H](NC(=O)C(C)(C)C)c1ccc(Cl)cc1	70236827	SKIYYCISULAFIW-VIFPVBQESA-N	239.746	3.563	0	50	BHAA	
CO[C@@H]1c2ccccc2[C@@H]2c3ccccc3C[C@@H]12	216280032	YVSWPWVLBDPPOL-IXDOHACOSA-N	236.314	3.692	0	50	BHAA	
Clc1ccc(Cl)c(N2CCCCC2)c1	230573829	NWHOMFXASMDWLG-UHFFFAOYSA-N	230.138	3.984	0	50	BHAA	
c1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1	250646274	LDPJOIMHSJSCFU-UHDSXZAQSA-N	241.378	3.601	0	50	BHAA	
CCCOc1cc(Cl)cc(Br)c1	261494150	QZUZJLGESNXVNK-UHFFFAOYSA-N	249.535	3.891	0	50	BHAA	
O=C(NC1CCCCCCC1)c1cccs1	35397	NYDZNLWERBFFRH-UHFFFAOYSA-N	237.368	3.591	0	50	BHAA	
CCC[C@H](C)C(=O)N(CC)c1ccccc1C	2739485	HETUAMPTNMGJGD-ZDUSSCGKSA-N	233.355	3.784	0	50	BHAA	
CC1=Nc2ccccc2N=C(N)[C@@H]1c1ccccc1	3905249	PQTNTLAURNVWGR-HNNXBMFYSA-N	249.317	3.565	0	50	BHAA	
Cc1cc(C)c(C(=O)N2CCCC[C@H]2C)c(C)c1	6725356	RLLWSXATGIKLCE-CQSZACIVSA-N	245.366	3.626	0	50	BHAA	
Fc1c(Cl)ccc(Cl)c1OC(F)F	263624447	QOGDSNXQPZYOQY-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
CCC(F)(CC)c1ccc(Br)cn1	669370008	WMLFBVZYYZXOIK-UHFFFAOYSA-N	246.123	3.829	0	50	BHAA	
O=Cc1cccc2c1sc1ccccc12	64949	XESZAOMRYLSHOM-UHFFFAOYSA-N	212.273	3.867	0	50	BHAA	in-vitro
Clc1cc(Cl)c(Cl)nc1Cl	243591	FATBKZJZAHWCSL-UHFFFAOYSA-N	216.882	3.695	0	50	BHAA	in-vitro
CC(C)Cc1ccc(Br)cc1	2580754	BVBHVVRVSMBCPW-UHFFFAOYSA-N	213.118	3.648	0	50	BHAA	in-vitro
Nc1cc(-c2ccc(-c3ccccc3)cc2)no1	3704518	MKTGTKMMOOARLO-UHFFFAOYSA-N	236.274	3.591	0	50	BHAA	
CC(C)(C)CC(=O)NC1CCCCCCC1	4664517	QCBKPFWBHICHRH-UHFFFAOYSA-N	225.376	3.652	0	50	BHAA	
C[C@H](CNCc1ccccc1)C1CCCC1	231504986	DGAOVUOWYJSVJD-CYBMUJFWSA-N	217.356	3.603	0	50	BHAA	
Cc1cc2c(C)cc(Br)cc2[nH]1	238498116	XNEQIDAJFKZBFK-UHFFFAOYSA-N	224.101	3.547	0	50	BHAA	
Cc1c(C)c2ccc(OC(C)C)c(C)c2oc1=O	374012	JKHDBNXBYCZGFK-UHFFFAOYSA-N	246.306	3.505	0	50	BHAA	
Cc1ccc(Cc2cc(C)ncc2C)c(C)c1	1027251	UXLQVMDEZHZLBO-UHFFFAOYSA-N	225.335	3.906	0	50	BHAA	
Fc1cc(Cl)c(Br)c(Cl)c1	49582109	OSXAPJFZNJFFJS-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
CC(C)c1ccc2[nH]c3c(c2c1)CCCC3=O	203866	URUHUZHYVIXOGC-UHFFFAOYSA-N	227.307	3.810	0	50	BHAA	
CC(C)(C)C[C@@](C)(C(=O)O)C(C)(C)C	1587732	CRLCLCBFULTTTR-LBPRGKRZSA-N	200.322	3.560	0	50	BHAA	
Cc1ccc2cc(Cl)c(Cl)cc2n1	2562417	XYNNEGCJICWPFL-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
CCCOc1ccc(OCCC)c(Cl)c1	2564046	SWQFWWUXVCCQSJ-UHFFFAOYSA-N	228.719	3.918	0	50	BHAA	
Cc1ccc(NC(=O)/C=C/c2ccco2)cc1C	3160105	LTSFJSRLNPCAPL-BQYQJAHWSA-N	241.290	3.548	0	50	BHAA	
CCOc1ccc(CNC(C)(C)C)cc1Cl	10436527	VHKDPDGEVXHBLW-UHFFFAOYSA-N	241.762	3.627	0	50	BHAA	
COc1ccc(Nc2ccc(C)cc2)cc1	22003858	KIDXWDVZFZMXGM-UHFFFAOYSA-N	213.280	3.747	0	50	BHAA	in-vitro
Cc1ccccc1[C@@H]1CCCC[C@@H]1N(C)C	96027169	JVJVUMAHCRTZHP-GJZGRUSLSA-N	217.356	3.583	0	50	BHAA	
C[C@H]1C[C@@H](C)Cc2c1[nH]c1c(F)cccc21	675075979	HPJHDFIPNWOJQW-BDAKNGLRSA-N	217.287	3.993	0	50	BHAA	
Cc1ccc(SCCc2ccncc2)cc1	270977	JWWYHPNWUHHPEJ-UHFFFAOYSA-N	229.348	3.725	0	50	BHAA	
Cc1cc(C)cc(OCC(=O)c2ccccc2)c1	476139	MSBCSXRSXPNVOP-UHFFFAOYSA-N	240.302	3.565	0	50	BHAA	
Cc1cc(C(=O)Nc2cccc(C)c2C)cs1	13326473	AQYUNLFUVXPGOB-UHFFFAOYSA-N	245.347	3.926	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1cccc(Cl)c1	30883	PJWKQSPGIOENGT-SECBINFHSA-N	225.719	3.715	0	50	BHAA	
O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	165018	LDWLIXZSDPXYDR-UHFFFAOYSA-N	242.118	3.537	0	50	BHAA	in-vitro
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2	3872521	DECIPOUIJURFOJ-UHFFFAOYSA-N	217.312	3.693	0	50	BHAA	endogenous,in-man
CC(=O)c1cnc(-c2ccc(Cl)cc2)s1	3884080	CAEMSQJRTZSWLF-UHFFFAOYSA-N	237.711	3.666	0	50	BHAA	
Cc1ccc(F)cc1NC(=O)C1CCCCC1	7970813	FJEDIZMEPBNSSF-UHFFFAOYSA-N	235.302	3.653	0	50	BHAA	
CCC[C@H](C)n1ccnc1-c1cccc(C)n1	71415615	RFJQKFSJBPRZFO-LBPRGKRZSA-N	229.327	3.615	0	50	BHAA	
Oc1ccc(-c2cc3ccc(F)cc3[nH]2)cc1	1245587580	BDURSRYSBCYLIE-UHFFFAOYSA-N	227.238	3.680	0	50	BHAA	
Cc1ccc(Nc2nc(C)cs2)cc1	283882	JSSVKDCUZCRZDK-UHFFFAOYSA-N	204.298	3.504	0	50	BHAA	
Cc1ccc(CNc2ccc(F)cc2)cc1	410264	OCGKEBAELVFTEG-UHFFFAOYSA-N	215.271	3.746	0	50	BHAA	
COc1ccc(CNC2CCCCCCC2)cc1	4989520	MANYRUSSZBEUFQ-UHFFFAOYSA-N	247.382	3.898	0	50	BHAA	
CCCCOC(CCC)OCCCC	5514072	WQRBJFZKPWPIJD-UHFFFAOYSA-N	202.338	3.746	0	50	BHAA	biogenic,in-vitro
Cc1ccc2ccn(C(=O)OC(C)(C)C)c2c1	39565982	MUQBSROSSKTUQW-UHFFFAOYSA-N	231.295	3.733	0	50	BHAA	in-vitro
CCn1ncc(-c2ccc(Cl)c(F)c2)c1C	2356164907	LLWDDCSRNCZKIY-UHFFFAOYSA-N	238.693	3.671	0	50	BHAA	
Cc1ccc(Sc2ccccc2N)cc1	394726	KGFFMVMQCXIUOX-UHFFFAOYSA-N	215.321	3.728	0	50	BHAA	in-vitro
O=C(CCC1CCCCC1)Nc1ccccc1O	461058	NVDIJOQHQUSMNN-UHFFFAOYSA-N	247.338	3.691	0	50	BHAA	
O=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F	2378575	YWBUNUGOMAFWHQ-UHFFFAOYSA-N	243.011	3.738	0	50	BHAA	in-vitro
Clc1ccccc1CNc1ccccc1	19738038	SWKUGGDNDCPQIF-UHFFFAOYSA-N	217.699	3.952	0	50	BHAA	
FC(F)(F)c1ccc(-c2ccccn2)cc1	34569743	KGZSSIFFYUBVOX-UHFFFAOYSA-N	223.197	3.767	0	50	BHAA	in-vitro
Oc1cc(Cl)cc(-c2cc(F)cc(F)c2)c1	65343208	CFKDORYNCXEPIK-UHFFFAOYSA-N	240.636	3.991	0	50	BHAA	
CC(C)[C@@](O)(C1CC1)C1([Si](C)(C)C)CC1	169829312	SBMWDHOMVILEQU-CYBMUJFWSA-N	226.436	3.656	0	50	BHAA	
Cc1ccc(-c2ccccc2)n1-c1cccnc1	229680	USZKLDXYIGFQBU-UHFFFAOYSA-N	234.302	3.848	0	50	BHAA	
Cc1ccc([C@@H]2CCCCCN2)c(C)c1	3735008	JGZVFMUVNYTNOG-AWEZNQCLSA-N	203.329	3.508	0	50	BHAA	in-vitro
Cc1ccc(C)c(-c2cn3ccccc3n2)c1	4235037	UKOKXOPCNWJICX-UHFFFAOYSA-N	222.291	3.618	0	50	BHAA	in-vitro
C[C@@H](O)c1cccc(/C=C/C2CCCCC2)n1	426620003	INNNEWAVEKWUAC-HCRIHEDKSA-N	231.339	3.728	0	50	BHAA	
O=C(O)C(C1CCCCC1)C1CCCCC1	389565	PGGMEZOUAPIYOY-UHFFFAOYSA-N	224.344	3.848	0	50	BHAA	in-vitro
c1coc(CNCc2cccc3ccccc23)c1	810248	FLNWBNLZGZPQSG-UHFFFAOYSA-N	237.302	3.723	0	50	BHAA	
CCCOC(=O)Nc1ccc(Cl)cc1C	2171185	PXHZGIPLCFACHG-UHFFFAOYSA-N	227.691	3.607	0	50	BHAA	
FC(F)(F)c1ccc2nccc(Cl)c2c1	2526221	FTNQANJWBFKPIP-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
Oc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)cc1	4987237	LPZZGKAOEYRCGK-ZBFHGGJFSA-N	245.366	3.547	0	50	BHAA	
C[C@@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@H]1C[C@H]32	100743316	VNZLCOOICNIDQE-GKRFPXGYSA-N	244.334	3.571	0	50	BHAA	biogenic
Cc1ccc2nc(-c3ccc(N)cc3)sc2c1	142942	XRTJYEIMLZALBD-UHFFFAOYSA-N	240.331	3.854	0	50	BHAA	
Cc1cc(NC(=O)C2CCCCC2)cc(C)c1O	207199	HHXYJMHNEYQHBP-UHFFFAOYSA-N	247.338	3.528	0	50	BHAA	
CC(C)(C)CC(=O)Nc1ccc(Cl)cc1	373133	OSWIHRQKKOJNKJ-UHFFFAOYSA-N	225.719	3.715	0	50	BHAA	
O=Cc1ccc(/C=C/c2ccccc2)cc1	2539416	CLXSBHRRZNBTRT-VOTSOKGWSA-N	208.260	3.670	0	50	BHAA	in-vitro
CC(C)(C)c1cccc(-c2ccc(C=O)nc2)c1	725269081	DHOYZLBXLNORAN-UHFFFAOYSA-N	239.318	3.859	0	50	BHAA	
Fc1ccc2[nH]c(-c3cccnc3F)cc2c1	1250486828	UAOQEEPKFYXQQF-UHFFFAOYSA-N	230.217	3.508	0	50	BHAA	
c1ccc2[nH]c(C3CCCCC3)nc2c1	235541	ZUKYCLYMFNPDCT-UHFFFAOYSA-N	200.285	3.611	0	50	BHAA	in-vitro
Cc1cc(Br)c2ccccc2c1	71256683	ZZGLLXBRLJUZQA-UHFFFAOYSA-N	221.097	3.911	0	50	BHAA	in-vitro
CCOc1ccc(C(F)(F)F)c(F)c1Cl	261493586	FHGVBTVPDFHCTE-UHFFFAOYSA-N	242.599	3.897	0	50	BHAA	
Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1	397949	NJWOLMJHHSZLNR-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1cccc(NC(=O)Nc2ccc(F)cc2)c1	401509	UVVZBDKDHYNTIM-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
Clc1ccc(SNc2nccs2)cc1	478017	NTCKSLZYOCPHNH-UHFFFAOYSA-N	242.756	3.916	0	50	BHAA	
CCCCN(C)C(=O)Nc1ccc(Cl)cc1	2161956	XLMACJLYGSZGNG-UHFFFAOYSA-N	240.734	3.604	0	50	BHAA	
CC[C@H](C)c1ccccc1OCCN1CCCC1	4845051	GEUHIKPPWSBLAJ-AWEZNQCLSA-N	247.382	3.675	0	50	BHAA	
FC(F)(F)c1cc(Cl)c2c(c1)CCCN2	168267112	XHWTXSCLCGVNHP-UHFFFAOYSA-N	235.636	3.717	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@@]13C[C@H]2C[C@@H]1[C@H]1CC[C@H]3C1	257355406	AOEUPYAFASLOBB-BIHCBPJASA-N	244.378	3.818	0	50	BHAA	
C[C@H]1CCCC[C@@H]1Oc1cccc(CCCO)c1	584907145	JJZSJNNKXMZXAQ-BBRMVZONSA-N	248.366	3.569	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2F)cc1C	229802	ROXAKLJZSVIGOI-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Cc1cc(Cl)ccc1NC1=NC[C@H](C)S1	278025	NKUYQMIQBUTTOG-QMMMGPOBSA-N	240.759	3.552	0	50	BHAA	
O=C(CNc1ccccc1Cl)c1ccccc1	287445	ATZYSISDWZPNGP-UHFFFAOYSA-N	245.709	3.635	0	50	BHAA	
CC[C@]1(C)C[C@@H](c2csc(C)n2)CCO1	432783	YPZFGDOTQMFJSL-CMPLNLGQSA-N	225.357	3.514	0	50	BHAA	
Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O	488495	VGNGGUFPGSNEBE-UHFFFAOYSA-N	242.274	3.773	0	50	BHAA	biogenic
CCn1c(CC(C)(C)C)nc2ccccc21	572588	ROTWDGGNXZZNBE-UHFFFAOYSA-N	216.328	3.645	0	50	BHAA	
Cc1cc(-c2n[nH]c(=S)n2C(C)C)cs1	8301420	HFRVQGIAFXHNGY-UHFFFAOYSA-N	239.369	3.559	0	50	BHAA	
CCOc1cccc(NC(=O)C2CCCCC2)c1	9816577	MMRLEODORCTUPN-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
C[C@H](CNC1CCCCC1)c1ccccc1	10436520	JJLPWUZUUANXLI-CYBMUJFWSA-N	217.356	3.712	0	50	BHAA	
Cc1ccc2c(Cl)cc(Cl)nc2c1	143754306	JGHBQTZHZQXVAM-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
C[C@@H]1OCC[C@@H]1SCc1sccc1Cl	225795044	NIERQKIPPHOPKM-CBAPKCEASA-N	248.800	3.812	0	50	BHAA	
C[C@@H](NCc1ccc(F)cc1)c1ccccc1	357573	HSJNHKWTWTXYLV-GFCCVEGCSA-N	229.298	3.677	0	50	BHAA	
Clc1ccc(OCCc2ccccc2)cc1	85150281	WFQFCIAYZRUHQI-UHFFFAOYSA-N	232.710	3.962	0	50	BHAA	
CC=C1[C@H]2CC[C@H]1c1c(OC)ccc(OC)c12	101037466	YHCHARVPJCVIFO-GHMZBOCLSA-N	230.307	3.625	0	50	BHAA	
C[C@H](Nc1nccc2ccc(F)cc12)C1CCC1	678312809	LIIZMYAIXYJPLN-JTQLQIEISA-N	244.313	3.974	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(F)cc2)c(C)c1	73217	MIPIHOFUXMTKAY-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
Brc1cccc(-c2ccccc2)n1	331297	XIYPPJVLAAXYAB-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
C[C@@H](NC1CCCCC1)c1ccccc1	1044430	CDGLTZQYNKEYOI-GFCCVEGCSA-N	203.329	3.670	0	50	BHAA	
C[C@@H](O)CC1(C)c2ccccc2-c2ccccc21	3125062	LAAVDJOFEYEVTK-GFCCVEGCSA-N	238.330	3.744	0	50	BHAA	
Cc1ccc(NC(=O)c2c(F)cccc2F)cc1	4857337	CJDNXVLUFGFDKD-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Oc1cccc(C=Cc2nc3ccccc3o2)c1	1857529563	PKSFKLLNUWOJIU-UHFFFAOYSA-N	237.258	3.704	0	50	BHAA	
c1ccc(C2(c3ccccc3)CCCO2)cc1	1575610	ONRSPOWNRLCCGF-UHFFFAOYSA-N	224.303	3.741	0	50	BHAA	in-vitro
Clc1ncnc2sc3c(c12)CCCCC3	3887548	AUYMUMFPLSANID-UHFFFAOYSA-N	238.743	3.614	0	50	BHAA	
CC[C@H](NC(=O)C1CCCC1)c1ccc(C)cc1	6731304	MGWXDNLELKPYNN-HNNXBMFYSA-N	245.366	3.753	0	50	BHAA	
CCNc1cccc(OCc2ccccc2)c1	34309074	YANGZIZOSJVYNM-UHFFFAOYSA-N	227.307	3.697	0	50	BHAA	
COc1cc(Br)ccc1C(C)C	145133941	LKCIPBSEEFZRGN-UHFFFAOYSA-N	229.117	3.581	0	50	BHAA	
CCCCC[C@H]1CC[C@H](C(=O)OC)CC1	252486343	IWIGRQBRPLXWTF-HAQNSBGRSA-N	212.333	3.546	0	50	BHAA	
CC[C@@H](C(=O)Nc1ccccc1)c1ccccc1	362297	BDKOFTGODYDQOQ-OAHLLOKOSA-N	239.318	3.819	0	50	BHAA	
CC(=O)c1ccc(-c2ccc(C)cc2)cc1	2556795	GNIQQKORSMFYPE-UHFFFAOYSA-N	210.276	3.865	0	50	BHAA	in-vitro
CCNCc1cc(Cl)c(OCC)c(Cl)c1	4867749	TWRKLKUCYWGSNZ-UHFFFAOYSA-N	248.153	3.502	0	50	BHAA	
Cc1oc2ncnc(NC3CCCCC3)c2c1C	6815150	RADXBSWAOCBAJE-UHFFFAOYSA-N	245.326	3.584	0	50	BHAA	
Clc1ccc2ncc(Br)cc2c1	34542004	VIPZVVMRXUNRAT-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Cc1nc(C)c(-c2cccc3[nH]ccc23)s1	67697366	CFRXTEYCTCHDFY-UHFFFAOYSA-N	228.320	3.908	0	50	BHAA	
Cc1ccc(-c2cccc(C=O)c2F)c(C)c1	394932785	GYALWXJMQLVELI-UHFFFAOYSA-N	228.266	3.922	0	50	BHAA	
C[C@H]1C[C@@H](C)Cc2c1[nH]c1ccc(F)cc21	675076804	REFJMRGPDFDYNZ-BDAKNGLRSA-N	217.287	3.993	0	50	BHAA	
c1ccc2c(c1)Oc1ccccc1S2	87615	GJSGGHOYGKMUPT-UHFFFAOYSA-N	200.262	3.944	0	50	BHAA	
COc1ccc(-c2nc3ccccc3o2)cc1	182378	RAPOAMGKAJWGHU-UHFFFAOYSA-N	225.247	3.503	0	50	BHAA	
CC(C)c1nc2ccccc2n1C(C)C	351177	IHBITQJXECZZCA-UHFFFAOYSA-N	202.301	3.741	0	50	BHAA	
CCCOc1ccc2c(C)c(C)c(=O)oc2c1C	2810600	QVDOLAFSPXTFKT-UHFFFAOYSA-N	246.306	3.507	0	50	BHAA	
O=Cc1cccc(OCCCc2ccccc2)c1	11886590	LUQFENNLCJFNBU-UHFFFAOYSA-N	240.302	3.511	0	50	BHAA	
CC1=CC=C[C@]23C=C[C@@]12c1ccccc1CC3	101037660	IREUKXXUYXYFFS-IRXDYDNUSA-N	220.315	3.943	0	50	BHAA	
O=Cc1cccc(-c2cc3ccccc3o2)c1	205595622	KQNGCDDLWWXIGO-UHFFFAOYSA-N	222.243	3.912	0	50	BHAA	
Cc1nn2cccnc2c1-c1ccc(C2CC2)cc1	2356149057	IAHNPAZWOHLGDB-UHFFFAOYSA-N	249.317	3.582	0	50	BHAA	
CCC[C@H](C)C(=O)Nc1ccc(C)cc1C	30890	KLOBJQXUURQUKK-NSHDSACASA-N	219.328	3.678	0	50	BHAA	
CC(C)(C)c1ccc(-c2ncccc2O)cc1	178849	FMFKAHUTDXGBDD-UHFFFAOYSA-N	227.307	3.752	0	50	BHAA	
CC(C)(C)OC(=O)Nc1cccc(Cl)c1F	83502184	IPPOWMWDIHORPA-UHFFFAOYSA-N	245.681	3.826	0	50	BHAA	
FC(F)(Br)c1ccc(Cl)cc1	138147425	UUAHGNFKMHMRDY-UHFFFAOYSA-N	241.462	3.784	0	50	BHAA	in-vitro
C[C@H]1CCCC[C@H]1NC(=O)CCCC(C)(C)C	170621183	URXIKBCJQXTMDC-QWHCGFSZSA-N	239.403	3.898	0	50	BHAA	
CC1(C)CC[C@H](n2cc(-c3cccs3)nn2)C1	585124278	NHMZEHLHIRGQLD-JTQLQIEISA-N	247.367	3.758	0	50	BHAA	
COC(=O)c1ccc(-c2cccc(Cl)c2)cc1	1258119	GVEQVLMLRJLJQK-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
CCCCc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1	13326455	PTHMXNSLMJDRJA-SMDDNHRTSA-N	231.339	3.624	0	50	BHAA	
Clc1cccc(Oc2ncccn2)c1Cl	17117821	GBKDOUPJWYELPU-UHFFFAOYSA-N	241.077	3.576	0	50	BHAA	
COc1cc(F)cc(-c2cc(F)ccc2F)c1	675070177	QXCXEDSHIYXQER-UHFFFAOYSA-N	238.208	3.780	0	50	BHAA	
Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N	57517	UAIUNKRWKOVEES-UHFFFAOYSA-N	240.350	3.752	0	50	BHAA	biogenic,in-vitro
O=C(Nc1ccccc1)Oc1ccccc1Cl	394209	LWZQUJXOWUUZQW-UHFFFAOYSA-N	247.681	3.951	0	50	BHAA	
O=Cc1ccc(Sc2ccccc2Cl)nc1	2571533	QIAJOFDSYGFTMH-UHFFFAOYSA-N	249.722	3.699	0	50	BHAA	
Cc1ccc(/C=C/c2cncc(C)n2)c(C)c1	170612946	QTPNCUQKTZNFEV-VOTSOKGWSA-N	224.307	3.572	0	50	BHAA	
O=C(Nc1ccccc1Cl)c1ccccc1F	347179	LXMUWTIFOAAGTI-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CCCCSc1nc2cc(C)ccc2n1C	2466325	JGEGNXORUMKDEP-UHFFFAOYSA-N	234.368	3.774	0	50	BHAA	
CCCCOc1ccc2c(C)c(C)c(=O)oc2c1	2601145	QQWSKGRYIBXHPC-UHFFFAOYSA-N	246.306	3.589	0	50	BHAA	
CCCCc1ccc2[nH]c(C(=O)OCC)cc2c1	4237619	IQEWHOXBZVZOCX-UHFFFAOYSA-N	245.322	3.687	0	50	BHAA	
Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1	6726382	KKIIUZKPXVUAFW-VXGBXAGGSA-N	246.354	3.505	0	50	BHAA	
Fc1ccc(Cl)c(F)c1C(F)(F)F	66329431	ZABHDJHDUYGAPB-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	in-vitro
CS[C@@H]1CC[C@@H](N[C@@H](C)c2cccs2)C1	195541098	XZROYVVUEVTCOQ-HBNTYKKESA-N	241.425	3.683	0	50	BHAA	
CC(=O)c1ccc2c3ccccc3n(C)c2c1	2022151	WRMVFNGQJFCRLI-UHFFFAOYSA-N	223.275	3.534	0	50	BHAA	
CC(=O)c1ccccc1-c1cccc(F)c1	16947937	NYNVMSOFFTZYSZ-UHFFFAOYSA-N	214.239	3.695	0	50	BHAA	
C/C=C(/C)[C@@H]1C=CC[C@H]1C(=O)C1=CCCC1	43762204	IOVQAQLJBIXUOM-FGYBBMNVSA-N	216.324	3.824	0	50	BHAA	
CC(C)(C)OC(=O)Nc1cc(Cl)ccc1F	83502152	WZIALZKTFLZAQW-UHFFFAOYSA-N	245.681	3.826	0	50	BHAA	
O=c1cc(-c2ccccc2)cc(-c2ccccc2)o1	139495	DDGIHXFDWLCKRZ-UHFFFAOYSA-N	248.281	3.974	0	50	BHAA	
CC(C)(C)Oc1ccc(Br)cc1	169255	QIWQHUCUWNGYDZ-UHFFFAOYSA-N	229.117	3.626	0	50	BHAA	in-vitro
Cc1ccc(C)c2c(N)c3c(nc12)CCCCC3	276639	NGBCIYMHXHUPJG-UHFFFAOYSA-N	240.350	3.703	0	50	BHAA	
Clc1ccc(Cc2ccccc2)cc1	1730627	NPOGRKGIBGKRNI-UHFFFAOYSA-N	202.684	3.931	0	50	BHAA	
CCO[C@H](C)c1ccc(-c2c(C)n[nH]c2C)cc1	67679256	RVTOWAWBFOCKTN-GFCCVEGCSA-N	244.338	3.791	0	50	BHAA	
Nc1ccc(C(=C(F)F)c2ccccc2)cc1	1875339739	WCQLDKIOWBGJGH-UHFFFAOYSA-N	231.245	3.925	0	50	BHAA	
CCc1ccc(NC(=O)c2ccccc2)cc1	259901	PVTYITKMIHHRJH-UHFFFAOYSA-N	225.291	3.501	0	50	BHAA	
C[C@H]1CCC[C@@H](OC(=O)NC2CCCCC2)C1	401717	ZSWOWLYGELNBNI-WCQYABFASA-N	239.359	3.624	0	50	BHAA	
Fc1c(F)c(Cl)c(F)c(F)c1Cl	136081407	HUBUEVKHTMIROY-UHFFFAOYSA-N	218.964	3.550	0	50	BHAA	
CO[C@@]12C=C(C)[C@@H](C=C1C)c1ccccc12	252499101	RVMYHKOLFOVFOJ-HIFRSBDPSA-N	212.292	3.532	0	50	BHAA	
CCOP(=O)(Cc1ccc(C)cc1)OCC	2046934	QKGBKPZAXXBLJE-UHFFFAOYSA-N	242.255	3.761	0	50	BHAA	in-vivo
Cc1cccc(C)c1OCCCN1CCCCC1	2880539	UZZCGXLIGMETLJ-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Cc1cccc(NCc2ccc(Cl)cc2)n1	18270818	FLONZJBHVKBLQY-UHFFFAOYSA-N	232.714	3.656	0	50	BHAA	
CCC/C=C/c1ccc(Cl)c(C(=O)NC)c1	67947777	XFWRCTPYBUTVCT-AATRIKPKSA-N	237.730	3.513	0	50	BHAA	
C1C[C@H]2[C@H]3C4[C@H]5[C@@H](CC[C@@H]5[C@H]13)[C@H]1CC[C@@H]2[C@@H]41	253588910	YSSOBFMYUGCUNX-DDEZHWTRSA-N	214.352	3.571	0	50	BHAA	
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](C)C1	675076807	REFJMRGPDFDYNZ-DTWKUNHWSA-N	217.287	3.993	0	50	BHAA	
O=C(Nc1ccccc1)Nc1ccccc1Cl	241303	SVGGRKQNMKAMDJ-UHFFFAOYSA-N	246.697	3.984	0	50	BHAA	
Fc1cccc(CN2CCCCCCC2)c1	294232	IUHCHPHJFFVVAN-UHFFFAOYSA-N	221.319	3.592	0	50	BHAA	
COc1cccc(-c2ccc(F)c(C)c2)c1OC	725264156	MPQYOXOTRBKFQK-UHFFFAOYSA-N	246.281	3.818	0	50	BHAA	
Cc1cccc(Nc2ccccc2C(=O)O)c1C	20241	HYYBABOKPJLUIN-UHFFFAOYSA-N	241.290	3.745	0	50	BHAA	biogenic,fda
Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)O	113353	HUQOLZUHGMRQFS-UHFFFAOYSA-N	236.654	3.607	0	50	BHAA	
O=C1c2ccccc2CSc2ccccc21	347327	JGJDEWXZEIHBNW-UHFFFAOYSA-N	226.300	3.523	0	50	BHAA	in-vitro
CC(C)CCc1ccc([C@@H](C)CC(=O)O)cc1	392257	ANHVCHYRRRCGAF-LBPRGKRZSA-N	234.339	3.853	0	50	BHAA	
COCc1ccc(-c2ccc(COC)cc2)cc1	1442990	MODAACUAXYPNJH-UHFFFAOYSA-N	242.318	3.646	0	50	BHAA	in-vitro
c1ccc2c(c1)CCc1ccccc1CC2	1742206	PCQPMHABIFETBJ-UHFFFAOYSA-N	208.304	3.570	0	50	BHAA	biogenic
CCc1ccccc1OCCN1CCCCCC1	4978591	ABHDFUINPUWVJU-UHFFFAOYSA-N	247.382	3.504	0	50	BHAA	
CC1(C)COC(CC23CC4CC(CC(C4)C2)C3)=N1	5049908	UXCIZUXEDVESHR-UHFFFAOYSA-N	247.382	3.800	0	50	BHAA	
Fc1ccc(NCc2ccc(Cl)s2)cn1	125159186	CQSIBTNIILDSQL-UHFFFAOYSA-N	242.706	3.548	0	50	BHAA	
COC(=O)c1ccccc1-c1cccc(Cl)c1	1258182	XOTSFKDBKHLVNN-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	in-vitro
CCCCOC(=O)Nc1cccc(Cl)c1C	1908400	FEZPQPFLHJIZSK-UHFFFAOYSA-N	241.718	3.997	0	50	BHAA	
S=c1[nH]nc(-c2ccccc2)c2ccccc12	3886666	BVCRPTIUWPVUQA-UHFFFAOYSA-N	238.315	3.959	0	50	BHAA	
Cc1ccc([C@H]2CCCCCN2)cc1C	4234886	KSKVAARLNUFARJ-CQSZACIVSA-N	203.329	3.508	0	50	BHAA	in-vitro
Brc1ccccc1OC1CCCC1	19519244	ZDVBXRWKMPYOEL-UHFFFAOYSA-N	241.128	3.771	0	50	BHAA	in-vitro
C[C@H]1CC[C@H]2CCC(=O)CC(C)(C)C=C12	71786173	FFCKSAKCVHYZSH-QWRGUYRKSA-N	206.329	3.738	0	50	BHAA	
Clc1cc(Br)cc2ccoc12	84326637	RGULZZFQDQMTNC-UHFFFAOYSA-N	231.476	3.849	0	50	BHAA	in-vitro
CC(C)c1ccc(OC(=O)c2ccco2)cc1	129226	VBULYXXIYFWYLJ-UHFFFAOYSA-N	230.263	3.622	0	50	BHAA	
CC(C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1	362224	ZSBPLUVLOBROBS-SNVBAGLBSA-N	239.746	3.504	0	50	BHAA	
Fc1ccc(CN2CCCCCCC2)cc1F	4990134	LBCCNMUAQRKNEU-UHFFFAOYSA-N	239.309	3.731	0	50	BHAA	
Oc1ccccc1-c1cc(-c2ccccc2)no1	13130481	XWLIMTFPYMGWEB-UHFFFAOYSA-N	237.258	3.714	0	50	BHAA	aggregator
CCOc1ccccc1NC(=O)CC1CCCC1	70667004	NTEOAVNNFSPGOT-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
Cc1nc(C)c(-c2ccc(F)c(C)c2)s1	1506428927	QXRXWBKGURXJMU-UHFFFAOYSA-N	221.300	3.874	0	50	BHAA	
CCc1ccc(NC(=O)C(C)(C)CC)cc1	30840	PNJHYVXMFGYRBB-UHFFFAOYSA-N	219.328	3.624	0	50	BHAA	
CCC[C@@H](C)c1nc2c(cnn2[C@H](C)CC)[nH]1	48319790	SJNDTDOHMIFOEI-NXEZZACHSA-N	234.347	3.634	0	50	BHAA	
COc1ccc(OC(F)F)c(Cl)c1Cl	263624644	SFXXIJLRMFGOTD-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
CC(C)(C)c1ccc(C(=O)C2CC2)cc1	1038954	XVDLXILLBPXUPJ-UHFFFAOYSA-N	202.297	3.577	0	50	BHAA	in-vitro
COc1ccc(OCCCSC(C)C)cc1	2885620	ZUIFDSWZUHPCSD-UHFFFAOYSA-N	240.368	3.606	0	50	BHAA	
CSc1ccccc1NC(=O)C1CCCC1	5443585	AKLGFZNEOKOYAR-UHFFFAOYSA-N	235.352	3.537	0	50	BHAA	
C1CCC(CNCC2CCCCC2)CC1	6760943	JLURWBIBHMXAHE-UHFFFAOYSA-N	209.377	3.737	0	50	BHAA	
C[C@H]1CCC[C@H](CNC(=O)CCC(C)(C)C)C1	170634186	FXSBJSNJBZWHLV-STQMWFEESA-N	239.403	3.755	0	50	BHAA	
CCCCOc1ccc(C(F)(F)F)cc1O	261494143	QVBXMNPOGSQLCP-UHFFFAOYSA-N	234.217	3.590	0	50	BHAA	
C=Cc1ccc(-c2ccsc2C=O)cc1	725241205	BFMMNFMPWVIPJO-UHFFFAOYSA-N	214.289	3.871	0	50	BHAA	
Fc1ccccc1-c1nccn1[C@@H]1C=CCC1	1875248668	FJGBZTMIOKVEDZ-LLVKDONJSA-N	228.270	3.580	0	50	BHAA	
CC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1	290598	DRRHRGANNZZVHF-UHFFFAOYSA-N	246.137	3.522	0	50	BHAA	
Fc1ccccc1CCc1ccccc1F	65337264	DCGNAMWRLBRLFJ-UHFFFAOYSA-N	218.246	3.750	0	50	BHAA	in-vitro
C[Si](C)(C)Cc1ccc(Br)cc1	170173576	YOBIYNREFRBEGA-UHFFFAOYSA-N	243.220	3.869	0	50	BHAA	
O=C(CC1CCCC1)Nc1cccc(Cl)c1	17154668	UVGSKIIKNRBAPS-UHFFFAOYSA-N	237.730	3.859	0	50	BHAA	
Cc1ccsc1CNc1ccc2[nH]ncc2c1	23283224	FSDKMDQOQPODSD-UHFFFAOYSA-N	243.335	3.545	0	50	BHAA	
CC(C)S[C@H]1CC(=O)CCC12CCCC2	725360450	HYGRVHDHYUOXMO-LBPRGKRZSA-N	226.385	3.810	0	50	BHAA	
COc1ccc(CC[C@H](C)NC2CCCC2)cc1	220612	TVXAYYFRMVHKAK-ZDUSSCGKSA-N	247.382	3.549	0	50	BHAA	
Clc1cccc(CNCc2cccs2)c1	55568598	VAHYGZPDVIWFJP-UHFFFAOYSA-N	237.755	3.691	0	50	BHAA	
CC1=C(C)CN(C23CC4CC(CC(C4)C2)C3)CC1	65336780	YGBLEBZMILUBRL-UHFFFAOYSA-N	245.410	3.997	0	50	BHAA	
CC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	126236	QQZQVFOVCGLRFI-NSHDSACASA-N	233.355	3.512	0	50	BHAA	
Cc1ccc([C@H](O)c2cccc(Cl)c2)cc1	4242615	RYQYUYPWBNYUNP-AWEZNQCLSA-N	232.710	3.730	0	50	BHAA	
Cc1ccc(Br)c(Cl)c1F	91301298	YGOVJHUYSYLBCX-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CC(C)CNc1ccc2cnc(Cl)cc2c1	2325776467	PIQFFQDNOFWISV-UHFFFAOYSA-N	234.730	3.956	0	50	BHAA	
Cc1cnnc(-c2ccc(F)c(Cl)c2)c1C	2356155113	XOJJWLXCHXIEMU-UHFFFAOYSA-N	236.677	3.553	0	50	BHAA	
CSc1ccccc1NC(=O)c1ccccc1	396263	CUUVYTSJOXLSAL-UHFFFAOYSA-N	243.331	3.661	0	50	BHAA	
Cc1cc(C)cc(NC(=O)Oc2ccccc2)c1	397392	UIQSECMOEVKGHQ-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
Oc1ccc(CCc2ccc(Cl)cc2)cc1	1405419	UPUKQSVNWUNTPY-UHFFFAOYSA-N	232.710	3.831	0	50	BHAA	
Cc1cc(-c2ccc(F)cc2)ccc1O	65340233	FNMIEFSTWXHDLF-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
O=C(Nc1cccc(Cl)c1)C1[C@@H]2CCCC[C@@H]12	467245275	ZLCICHYECNOTGG-VXGBXAGGSA-N	249.741	3.715	0	50	BHAA	
Oc1cccc2c(Cl)ccc(Cl)c12	274691	KEGNUIZNBCHWLZ-UHFFFAOYSA-N	213.063	3.852	0	50	BHAA	
Cc1ccc(C2SCCCS2)cc1	376673	BPAHUGKAEMGTSH-UHFFFAOYSA-N	210.367	3.864	0	50	BHAA	
C[C@@H](C(=O)N(C)c1ccccc1)C1CCCCC1	393382	UTAZWWWCYDLFKN-CYBMUJFWSA-N	245.366	3.866	0	50	BHAA	
Nc1ccc(-c2cc(Cl)cc(Cl)c2)cn1	82730001	SKEJSAOWCCLFQZ-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	in-vitro
CCCc1ncc(-c2cccc([C@H](C)OC)c2)[nH]1	426403542	QOYPVSRVIVSVFH-NSHDSACASA-N	244.338	3.737	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2F)c(C)c1	73223	NINVUOWQTKDCRK-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)c1cccs1	240882	FHTIWIPMVNMNHO-UHFFFAOYSA-N	237.711	3.654	0	50	BHAA	
Cc1cc2c(C)nc3c(C)cccc3c2o1	274922	YDCHFQFWVBDHHB-UHFFFAOYSA-N	211.264	3.906	0	50	BHAA	biogenic
CC(C)CNCc1ccc(-c2ccccc2)o1	4843156	JYDFXHZNTHNTSS-UHFFFAOYSA-N	229.323	3.692	0	50	BHAA	
O=[N+]([O-])/C=C/c1ccc2oc3ccccc3c2c1	16525524	VOCFLFPOBKFSMA-BQYQJAHWSA-N	239.230	3.833	0	50	BHAA	
Cc1cc(N2CCCC2)nc2cc(Cl)ccc12	23634511	GWPJLVDXTGWFCT-UHFFFAOYSA-N	246.741	3.797	0	50	BHAA	
CN(C)c1ccc(-c2ccc3ccccc3n2)cc1	247424	KLNWLOCDPWWNDS-UHFFFAOYSA-N	248.329	3.968	0	50	BHAA	
CN1C(=O)c2ccccc2[C@H]2C[C@H]2c2ccccc21	43761816	APHIBRMJGDVSPB-CABCVRRESA-N	249.313	3.548	0	50	BHAA	
Cc1cc(Cl)cc2nc(Cl)nc(Cl)c12	129345478	PRDIVPPZHRKPIZ-UHFFFAOYSA-N	247.512	3.898	0	50	BHAA	
Cc1ccccc1NCCNc1ccccc1C	1848479	ZQMPWXFHAUDENN-UHFFFAOYSA-N	240.350	3.827	0	50	BHAA	biogenic
CCCCc1ccc(NC(=O)N2CCCC2)cc1	6726898	PSCHMVXRTMPFSE-UHFFFAOYSA-N	246.354	3.657	0	50	BHAA	
CC(C)CNc1cc(Cl)c(Cl)cc1N	15021267	JNJUQHTUXPJCJM-UHFFFAOYSA-N	233.142	3.644	0	50	BHAA	in-vitro
CN(C(=O)c1ccccc1Cl)c1ccccc1	29248	OEYWSNRVIODBJL-UHFFFAOYSA-N	245.709	3.617	0	50	BHAA	
O=C(Nc1ccccc1F)c1ccccc1Cl	128514	QKUIHGREZZXXGL-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
Cc1cc(Cl)c2ccc(Cl)cc2n1	407933	QTYCALFKBCOYLW-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
Cc1cccc(OCCCN2CCCCC2)c1C	2493541	SCJRWTCTFOLEOQ-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Cc1cc(F)cc(Cl)c1Br	67794459	KTHJIXWGQDHQDZ-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CC(=O)c1cnc(Nc2cccc(C(C)C)c2)o1	2356163215	SJMMYMRJNCBKHF-UHFFFAOYSA-N	244.294	3.744	0	50	BHAA	
Cc1cccc(NC(=O)OC2CCCCC2)c1	395287	ITCYGOSRUBLIPD-UHFFFAOYSA-N	233.311	3.876	0	50	BHAA	
c1ccc(Cc2c[nH]c3ccccc23)cc1	1225197	HNUYRDWMYRCVNO-UHFFFAOYSA-N	207.276	3.759	0	50	BHAA	
C[C@H](C(=O)O)c1ccc(-c2ccccc2F)cc1	2037478	MSUHIIYPJIGYBH-JTQLQIEISA-N	244.265	3.681	0	50	BHAA	
COc1c(Cl)cc(OC(F)F)cc1Cl	263624649	SGQRWCBMTWRCTD-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1	19965	YBSDQTBCNYWBMX-ONEGZZNKSA-N	238.265	3.872	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)C(C)(C)C)cc1Cl	401781	MGCIZHQKQMWQGC-UHFFFAOYSA-N	225.719	3.633	0	50	BHAA	
CCCCCC[C@@H](CCCC)C(=O)O	2012341	OARDBPIZDHVTCK-LLVKDONJSA-N	200.322	3.848	0	50	BHAA	in-vitro
Clc1ccc2cc(Br)ccc2n1	2527448	YXRDWUJAJLDABJ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
COc1cc(C)c(Br)cc1C(C)C	33426844	YRIBSMVSZBQOEX-UHFFFAOYSA-N	243.144	3.890	0	50	BHAA	
O=c1oc(-c2ccccc2)cc(Cl)c1Cl	308424	FJKUUIRZBHTMAQ-UHFFFAOYSA-N	241.073	3.614	0	50	BHAA	
O=Cc1ccc(CSc2ccccc2)cc1	336511	JUBPQKIMHWZAKL-UHFFFAOYSA-N	228.316	3.791	0	50	BHAA	
CCC(=O)O[C@H](C)[C@@H](CC)c1ccccc1	3137279	OASFSUPPTYRXOE-DGCLKSJQSA-N	220.312	3.522	0	50	BHAA	
C[C@@H]1[C@H](c2ccccc2)C[C@H](C(=O)O)C1(C)C	4525439	YANDMRONFZDPSQ-RAIGVLPGSA-N	232.323	3.537	0	50	BHAA	
Br/C=C\c1ccc2ccccc2n1	38152901	KRKTYQUSRQFVQW-FPLPWBNLSA-N	234.096	3.600	0	50	BHAA	
CC(C)=Cc1c(-c2ccccc2)ncn1CCF	65500445	FJEKOFHLGYJJPO-UHFFFAOYSA-N	244.313	3.943	0	50	BHAA	
COc1cc(C)c(-c2ncc[nH]2)cc1C(C)C	67740881	LUGNXVGNHGWEKS-UHFFFAOYSA-N	230.311	3.517	0	50	BHAA	
C1=C[C@H]2C[C@H]1c1cc3c(cc12)[C@H]1C=C[C@H]3C1	104229154	SFPUQYWEGHJLIJ-BJDJZHNGSA-N	206.288	3.968	0	50	BHAA	
FC(F)c1cc(-c2ccc(Cl)nc2)ccn1	725273462	DZPGGIFNBFHRNL-UHFFFAOYSA-N	240.640	3.735	0	50	BHAA	
Cc1ccc(C)c(OC(=O)c2ccccc2F)c1	363315	NQAPBSDZOHNGBA-UHFFFAOYSA-N	244.265	3.662	0	50	BHAA	
Cc1ccccc1NC(=O)N(C)c1ccccc1	396667	VRLIECFDCLNVLR-UHFFFAOYSA-N	240.306	3.663	0	50	BHAA	
CCCN(CCC)C(=O)Nc1cccc(C)c1C	396757	NUIZMCPWCZLRLM-UHFFFAOYSA-N	248.370	3.957	0	50	BHAA	
CC(=O)O[C@H]1CCCC[C@H]1C1CCCCC1	402273	ZEJHMZKXUUMYAY-KBPBESRZSA-N	224.344	3.689	0	50	BHAA	
Cc1ccc(NC(=O)N2CCC[C@H](C)C2)c(C)c1	6731843	WFQGVOATHIRVNV-LBPRGKRZSA-N	246.354	3.567	0	50	BHAA	
CCc1ccc2nc(Cl)cc(C)c2c1	19093324	NAPCZCIGFFCPDE-UHFFFAOYSA-N	205.688	3.759	0	50	BHAA	in-vitro
CC[C@H](C)N[C@H](c1ccccc1)c1nccs1	123256431	IDMAVXXRWCOFBM-WCQYABFASA-N	246.379	3.621	0	50	BHAA	
c1ccc2c(c1)[C@@H]1CCC[C@H]3CCCN2[C@H]31	216197911	CGZZLBWDQKRDNU-CORIIIEPSA-N	213.324	3.553	0	50	BHAA	
C[C@@H]1CC(=O)[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C)C1	242592217	OMRXGTVRYFLYAG-WCSPYGGUSA-N	220.356	3.674	0	50	BHAA	
COc1cc(C)c(CN2CCC[C@@H](C)C2)cc1C	279437	CBOPVCLWJJSXBV-GFCCVEGCSA-N	247.382	3.544	0	50	BHAA	
CC(C)(C)C1CCC(=CCC(=O)O)CC1	392283	ACZHRJVKSYPPJR-UHFFFAOYSA-N	210.317	3.624	0	50	BHAA	
O=C(Cc1ccccc1Cl)c1ccccc1	401287	AMQKCOCKRZUDKQ-UHFFFAOYSA-N	230.694	3.765	0	50	BHAA	in-vitro
Cc1cccc2cccc(Br)c12	3132406	QTWVRVGVJURUFK-UHFFFAOYSA-N	221.097	3.911	0	50	BHAA	
Cc1ccc(F)cc1NC(=O)c1cccc(F)c1	3566382	YCKSLCCJPBEKOU-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC(C)(C)c1cc2c(s1)CCCCC(=O)N2	5230019	YZWRNLCDHCBXRM-UHFFFAOYSA-N	237.368	3.711	0	50	BHAA	
Cc1cccc2c(=O)cc(-c3ccccc3)[nH]c12	5504129	NGUWFPQUQMBYJN-UHFFFAOYSA-N	235.286	3.504	0	50	BHAA	
CC(C)c1csc(-c2ccccc2C(=O)O)n1	725271227	AOJZXDDHTPLTNN-UHFFFAOYSA-N	247.319	3.632	0	50	BHAA	
CCc1ccccc1NC(=O)c1ccccc1C	29162	DCXLMGKGPSFIBV-UHFFFAOYSA-N	239.318	3.810	0	50	BHAA	
CC[C@H](C(=O)N1CCCCCC1)c1ccccc1	30742	BRWWWBHMBLHHBE-HNNXBMFYSA-N	245.366	3.583	0	50	BHAA	
CC[C@H](C)c1ccc(NC(=O)C2CC2)cc1	442522	FFJKVRCOUHEYOK-JTQLQIEISA-N	217.312	3.549	0	50	BHAA	
Clc1ncccc1-c1nc2ccccc2o1	8729887	SBLUXUVHGSORRI-UHFFFAOYSA-N	230.654	3.543	0	50	BHAA	
CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1	56444	RRIQVLZDOZPJTH-UHFFFAOYSA-N	234.339	3.800	0	50	BHAA	biogenic,in-vitro
Cc1ccc(O)c(Sc2cc(C)ccc2O)c1	136150	CHNWLKJYOVQXOG-UHFFFAOYSA-N	246.331	3.866	0	50	BHAA	
CC(=O)Nc1ccc(/C=C/c2ccccc2)cc1	189384	XWVCGVPSPHTRHE-BQYQJAHWSA-N	237.302	3.815	0	50	BHAA	
Cc1ccccc1NC(=O)CCC1CCCC1	376276	OIUOVOIPYVNRHR-UHFFFAOYSA-N	231.339	3.904	0	50	BHAA	
Cc1cccc(C)c1OC(=O)Nc1ccccc1	401567	VSZAGABSCXDSCN-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
Cc1ccc2cc(CCCC(=O)O)ccc2c1	1598549	RMMUHOPPNAKDAN-UHFFFAOYSA-N	228.291	3.556	0	50	BHAA	
CCCCCCc1ccc(C(=O)O)cc1	1697728	CPEPWESLFZVUEP-UHFFFAOYSA-N	206.285	3.508	0	50	BHAA	in-vitro
CCCCN(C)C(=O)Nc1cccc(CC)c1	2167700	IIPDDAVLAYRLBV-UHFFFAOYSA-N	234.343	3.513	0	50	BHAA	
Cc1cccc(NC(=O)CC2CCCC2)c1	17154665	RMCPPYQIEMPYSU-UHFFFAOYSA-N	217.312	3.514	0	50	BHAA	
Cc1ccncc1-c1cc2ccccc2o1	65376237	WEOYYVADWXYCHD-UHFFFAOYSA-N	209.248	3.803	0	50	BHAA	
CC[C@H](NC(=O)C(C)C)c1ccc(C)cc1C	72115552	FZVQYQJFRXLZAN-AWEZNQCLSA-N	233.355	3.527	0	50	BHAA	
Fc1ccc(Cl)c(Cl)c1Br	75915371	SFDJVKZJQRLAPC-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
COc1ccc(OC)c2c1[C@H]1C=C(C)[C@H]2CC1	101037181	VGTHCTTUKNFHTN-GHMZBOCLSA-N	230.307	3.625	0	50	BHAA	
CCCCOc1ccc(F)c(Br)c1	137558248	FUWOHQNYAJKCBQ-UHFFFAOYSA-N	247.107	3.767	0	50	BHAA	
Cc1cc(Cl)ccc1C(=O)OC(C)(C)C	235774514	JKNDTXOAXSLGBX-UHFFFAOYSA-N	226.703	3.604	0	50	BHAA	in-vitro
CCC(=O)c1ccc(OCc2ccccc2)cc1	388304	IKFGSOJYHVTNDV-UHFFFAOYSA-N	240.302	3.858	0	50	BHAA	in-vitro
Cc1ccc(C)c(OCC(=O)c2ccccc2)c1	473600	LTSQTCKQCQRODJ-UHFFFAOYSA-N	240.302	3.565	0	50	BHAA	
Cc1ccc2ccccc2c1Br	1668682	CMIMBQIBIZZZHQ-UHFFFAOYSA-N	221.097	3.911	0	50	BHAA	
CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2CC1	15657741	FEBNTWHYQKGEIQ-SUKRRCERSA-N	234.339	3.790	0	50	BHAA	endogenous,in-man
Cc1cccc(NCc2scnc2C)c1F	132533820	SUQOVGCOQKUKKH-UHFFFAOYSA-N	236.315	3.511	0	50	BHAA	
Cc1cc(Br)ccc1C(C)C	142682540	PUKYTSMWXQOQKI-UHFFFAOYSA-N	213.118	3.881	0	50	BHAA	
Cc1ccc(C(=O)c2ccnc(Cl)c2)c(C)c1	156067673	MOXKPFDJTKXYEU-UHFFFAOYSA-N	245.709	3.583	0	50	BHAA	
O=C1CCCC[C@H]1c1ccccc1Cl	390532	UOEXWLLNMGAJDD-JTQLQIEISA-N	208.688	3.567	0	50	BHAA	
c1ccc2c(c1)CCc1c-2[nH]c2ccccc12	1023865	UPUQYBJFFYMNQK-UHFFFAOYSA-N	219.287	3.934	0	50	BHAA	in-vivo
O=C(O)[C@H](c1ccccc1)c1ccc(Cl)cc1	2382476	YSPUGNBNEKEGKB-CYBMUJFWSA-N	246.693	3.557	0	50	BHAA	
C[C@@H](c1ccccc1)[C@@](C)(O)c1ccccc1	3136774	NCIAKSBPWVOMFR-XJKSGUPXSA-N	226.319	3.698	0	50	BHAA	
O=C(Nc1ccc(F)cc1)Nc1cccc(F)c1	15203070	OXBUOQMFAINWIL-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CC(C)(C)OC(=O)n1ccc2ccc(F)cc21	40448708	JYJYZNQHVVDOIE-UHFFFAOYSA-N	235.258	3.564	0	50	BHAA	in-vitro
Clc1cccc2ncc(Br)cc12	91692904	DNPKBKRTVUSVRU-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CSc1nc(Cl)cc2ccccc12	95099987	WZKRTAFEDUEJCD-UHFFFAOYSA-N	209.701	3.610	0	50	BHAA	
c1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1	250646271	LDPJOIMHSJSCFU-BPKGMFCQSA-N	241.378	3.601	0	50	BHAA	
ClC1=C[C@@H]2[C@H]1[C@H]1C=C[C@H]2c2ccccc21	254814439	FNVIXLXSKVBQTP-ZJQBRPOHSA-N	214.695	3.806	0	50	BHAA	
Nc1cccc(C2CCC(F)(F)CC2)c1	258205131	XGIRDQPJCHFHKG-UHFFFAOYSA-N	211.255	3.562	0	50	BHAA	
Oc1cc2ccccc2nc1-c1ccccc1	161497	RCZOGESGQUHUFE-UHFFFAOYSA-N	221.259	3.607	0	50	BHAA	
OC1CCC(C23CC4CC(CC(C4)C2)C3)CC1	6293087	UAFOEMSXUDSHKS-UHFFFAOYSA-N	234.383	3.754	0	50	BHAA	
Fc1ccc2[nH]cc/c(=N/c3ccccc3)c2c1	32607067	VJFZJGDLRMWOSC-UHFFFAOYSA-N	238.265	3.539	0	50	BHAA	
Cc1cc(F)ccc1-c1ccc(F)c(C(=O)O)c1	38068191	UZZPIRDMOWFESJ-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
Fc1cc(Cl)c(Br)cc1S	71792202	XOIOTNRMPNKATO-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
COC(=O)c1cc(-c2cccc(C)c2)ccc1F	97757209	PJANICMQZKEQEK-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC(C)c1scnc1NC(=O)OC(C)(C)C	225513218	DRZWOCQJWRGWHQ-UHFFFAOYSA-N	242.344	3.614	0	50	BHAA	
CN1C=CC(=CC=C2C=Nc3ccccc32)C=C1	1849026354	REPRLCRXMJXHAW-UHFFFAOYSA-N	234.302	3.685	0	50	BHAA	biogenic
CC(C)c1ccc(NC(=O)c2ccco2)cc1	240676	JAXIZYGAJAIYCR-UHFFFAOYSA-N	229.279	3.655	0	50	BHAA	
CC(=O)N1c2ccccc2Sc2ccccc21	271821	DNVNQWUERFZASD-UHFFFAOYSA-N	241.315	3.836	0	50	BHAA	in-vitro
CCCOC(=O)Nc1ccc(Cl)cc1Cl	2171160	OXMJFVGWDDBUHO-UHFFFAOYSA-N	248.109	3.952	0	50	BHAA	
Clc1cccc([C@@H]2CCCCCN2)c1	2582656	DKVBGAPRKMGQCO-LBPRGKRZSA-N	209.720	3.545	0	50	BHAA	in-vitro
CC(C)(C)NCc1ccc(-c2ccccc2)o1	4942833	DPLPMJOBKFRDAY-UHFFFAOYSA-N	229.323	3.835	0	50	BHAA	
CCOc1c(F)cc(Cl)cc1Cl	261493955	MQMPVJPLASHJGO-UHFFFAOYSA-N	209.047	3.531	0	50	BHAA	
O=c1cc(-c2ccccc2)oc2ccc(F)cc12	135415	OUYOSBQKQPUNJK-UHFFFAOYSA-N	240.233	3.599	0	50	BHAA	in-vivo
c1ccc(NNc2nc3ccccc3s2)cc1	2529756	WQJUUHFPWVHOBV-UHFFFAOYSA-N	241.319	3.735	0	50	BHAA	
CC1=C[C@@H](C)[C@H]2CO[C@@H](c3ccccc3O)[C@H]1C2	101155247	DWGYRUDDSQAWEA-ILHHOCCXSA-N	244.334	3.682	0	50	BHAA	
C1=C[C@H]2COC[C@@H]2CCCCCCCC1	254849331	QQPBNXSJUXIDLT-KBPBESRZSA-N	208.345	3.940	0	50	BHAA	biogenic
Cc1c(-c2ccccc2)oc(C2CC2)c1C(=O)O	958528081	JCKQDKRKEMMFMH-UHFFFAOYSA-N	242.274	3.831	0	50	BHAA	
c1cc(-c2cccc3[nH]ncc23)c2cccnc2c1	1240313478	DTNBQEFOQOMQIC-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
O=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1	118151	VEURDHASKSZBOL-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	in-vitro
Cc1ccc(OCOc2ccc(C)cc2)cc1	400164	XBBWCUBZMGGWFC-UHFFFAOYSA-N	228.291	3.719	0	50	BHAA	
Cc1cc(C(=O)Nc2ccc(F)cc2C)c(C)o1	7751372	OHBQUQRWHCNJHX-UHFFFAOYSA-N	247.269	3.596	0	50	BHAA	
CCc1ccccc1-c1cccc(C(=O)O)c1	65336917	LIOMBQKACCJAHQ-UHFFFAOYSA-N	226.275	3.614	0	50	BHAA	in-vitro
Cc1cccnc1-c1ccc(OC(C)C)cc1	649442351	KTMIFUQXUSKXQJ-UHFFFAOYSA-N	227.307	3.844	0	50	BHAA	
FC(F)(F)Oc1cccc(Cl)c1Cl	2540244	ZGSFEMSBYALHSN-UHFFFAOYSA-N	231.000	3.892	0	50	BHAA	
CCOC(=O)CCCCCCCCCCOC	4578756	FLNRMAQGBAJVOD-UHFFFAOYSA-N	244.375	3.707	0	50	BHAA	
O=Cc1ccc(SC2CCCCC2)o1	8728220	UPSFITCCHUIYLQ-UHFFFAOYSA-N	210.298	3.517	0	50	BHAA	in-vitro
CCCc1ccc(-c2ccc(C=O)nc2)cc1	725271319	CEXHGHBOYXKRHE-UHFFFAOYSA-N	225.291	3.514	0	50	BHAA	
O=C(O)c1ccc2cc(-c3ccccc3)[nH]c2c1	346102	BWKYFLQHMXEKJX-UHFFFAOYSA-N	237.258	3.533	0	50	BHAA	
O=C(OCc1ccc(Cl)cc1)c1ccccc1	397692	ARLTXMAKDGVKNK-UHFFFAOYSA-N	246.693	3.697	0	50	BHAA	
CCCOc1ccc(NC(=O)CC(C)(C)C)cc1	12137888	NZVREVUPFULZTQ-UHFFFAOYSA-N	249.354	3.850	0	50	BHAA	
Clc1cc2[nH]ccc2cc1Br	34291469	SMZUROGBNBCCPT-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
CCC[C@H]1CC=C(Br)CC1	63363111	BVNAKZCZXQOREQ-QMMMGPOBSA-N	203.123	3.865	0	50	BHAA	in-vitro
Cc1cccc([C@]23CCCC[C@H]2CCCN3)c1	96026859	QCXFOUMRLGBMSF-HOCLYGCPSA-N	229.367	3.764	0	50	BHAA	
C=C(c1ccc(C(=O)O)cc1)c1ccccc1C	215771644	KMUWACOLXILRKG-UHFFFAOYSA-N	238.286	3.755	0	50	BHAA	
CSC[C@H](C)N[C@H](C)C[C@H]1C[C@H]2CC[C@H]1C2	252571516	YCDSSBKVVZRUTC-QMVSFRDZSA-N	241.444	3.542	0	50	BHAA	
C1C[C@@H]2[C@@H]3CC[C@H]4[C@@H]5CC[C@@H]6[C@H]1[C@@H]2[C@H]([C@H]43)[C@H]56	253588912	YSSOBFMYUGCUNX-MSMLBBQUSA-N	214.352	3.571	0	50	BHAA	
CCCc1ccc(OC(=O)OCC(C)C)cc1	276826	ACXYXVROPRAZEU-UHFFFAOYSA-N	236.311	3.811	0	50	BHAA	
CC(C)(C)NC(=O)Oc1ccc2ccccc2c1	398210	VIUHSSNMQRNVBU-UHFFFAOYSA-N	243.306	3.727	0	50	BHAA	
CCOC(=O)Sc1nc2ccccc2s1	402567	RJODZEZZGSEDHK-UHFFFAOYSA-N	239.321	3.545	0	50	BHAA	
CC(=O)c1sc(-c2ccc(C)cc2)nc1C	6654656	DZVDZLFPXREJEC-UHFFFAOYSA-N	231.320	3.630	0	50	BHAA	in-vitro
CCc1cccc(C)c1NC(=O)C(C)(C)CC	30841	WVHDBHZMMXBZPO-UHFFFAOYSA-N	233.355	3.932	0	50	BHAA	
CCC(=O)O[C@H](C)[C@H](CC)c1ccccc1	3137280	OASFSUPPTYRXOE-YPMHNXCESA-N	220.312	3.522	0	50	BHAA	
CCOC(=O)OCc1ccc(Cl)c(Cl)c1	71774027	GHWFHLAUPZAWQC-UHFFFAOYSA-N	249.093	3.667	0	50	BHAA	
C[C@@H]1[C@@H]2C[C@@H](C[C@@H]2[C@H]2CCC[C@@H](O)C2)C1(C)C	215983941	BWVZAZPLUTUBKD-ULXLPNHUSA-N	236.399	3.856	0	50	BHAA	
CC[C@H](C)c1ccccc1NC(=O)[C@@H]1C[C@H]1C	239306091	GKALCFQHWDCYST-DMDPSCGWSA-N	231.339	3.795	0	50	BHAA	
O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1	168462	FIMRRWLTRBEAOM-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
COc1cc(O)cc(/C=C/c2ccccc2)c1	899172	JVIXPWIEOVZVJC-BQYQJAHWSA-N	226.275	3.571	0	50	BHAA	biogenic,in-vitro
COc1cc(C)c(CNC2CCCCC2)cc1C	13112122	QKPXHXPLAWJIAQ-UHFFFAOYSA-N	247.382	3.734	0	50	BHAA	
CC1=CC(C)=N/C1=C\c1c(C)cc(C)n1B(F)F	215863201	QZEVTPIWBHINIV-GHXNOFRVSA-N	248.085	3.639	0	50	BHAA	
CCCCOc1ccc(F)c(Cl)c1	261493933	MDBPRDBTYWDNEV-UHFFFAOYSA-N	202.656	3.658	0	50	BHAA	
Cc1occ(-c2ccc(Cl)cc2)c1C(=O)O	725246762	WATSSLLUEIBROU-UHFFFAOYSA-N	236.654	3.607	0	50	BHAA	
c1ccc2c(-c3nc(C4CC4)n[nH]3)cccc2c1	41161124	JSBYPDIPTKGYBN-UHFFFAOYSA-N	235.290	3.502	0	50	BHAA	
CC1(C)[C@@]2(c3ccccc3)N=N[C@]1(C)[C@@H]1C=C[C@@H]12	45027804	FKKLDLHRVFCMQW-CLWVCHIJSA-N	238.334	3.948	0	50	BHAA	
CC1(C)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@H]1C=C[C@@H]12	45027805	FKKLDLHRVFCMQW-UGQVUOCMSA-N	238.334	3.948	0	50	BHAA	
Cc1ccc2c(c1)/C(=C\C=C1C=CN(C)C=C1)C=N2	334157083	DGEOBTFQUSETAW-WCSRMQSCSA-N	248.329	3.994	0	50	BHAA	
C=Cc1ccc(-c2cc(C=O)ccc2F)cc1	725241554	XUVXDIFBKFCMJM-UHFFFAOYSA-N	226.250	3.948	0	50	BHAA	
Cc1ccc(-c2c(C3CC3)n[nH]c2C)cc1F	1506410953	GPNZJRKEIINYSX-UHFFFAOYSA-N	230.286	3.710	0	50	BHAA	
CCc1ccccc1NC(=O)Oc1ccccc1	397389	GNSISNHPQQIFAO-UHFFFAOYSA-N	241.290	3.860	0	50	BHAA	
Fc1ccc(-c2noc(-c3ccccc3)n2)cc1	443200	JIHNURQWICBEMO-UHFFFAOYSA-N	240.237	3.543	0	50	BHAA	
Cc1ccccc1NNc1ccccc1C	1555422	OVXBYJMCICSXFP-UHFFFAOYSA-N	212.296	3.742	0	50	BHAA	
NCc1ccc(Oc2ccc(Cl)cc2)cc1	2576557	DUIRKDAXQIVVNZ-UHFFFAOYSA-N	233.698	3.591	0	50	BHAA	in-vitro
Cc1ccc(CCC(=O)Nc2ccccc2)cc1	4842146	AZYQHXUQPXOQQO-UHFFFAOYSA-N	239.318	3.566	0	50	BHAA	
CC1(C)CCNc2ccc(Br)cc21	34507227	WBOOAXJWGJAIMB-UHFFFAOYSA-N	240.144	3.542	0	50	BHAA	in-vitro
Clc1cc(Cl)c2sccc2n1	44831943	GACWBJMFVQODCY-UHFFFAOYSA-N	204.081	3.603	0	50	BHAA	in-vitro
Fc1cc(Cl)cc(Cl)c1Br	67794444	WFZZZUSFPGSBOK-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	
Cc1nc(-c2ccc(O)c(C)c2)cc(C(C)C)n1	97674361	HGVSZCGOHCRVDE-UHFFFAOYSA-N	242.322	3.589	0	50	BHAA	
Fc1ccc2[nH]cc(CN3CCCCCC3)c2c1	258125198	UOODFVQEBWRZQL-UHFFFAOYSA-N	246.329	3.683	0	50	BHAA	
C[C@H]1CCC(=O)C[C@H]1SC1CCCCC1	725362370	RYVHGIBOFPRHKU-GXFFZTMASA-N	226.385	3.810	0	50	BHAA	
Fc1ccc(-c2cc3ccccn3c2)cc1	433068	BUUWCMXHYZVPBP-UHFFFAOYSA-N	211.239	3.745	0	50	BHAA	
CC[C@@H](C)c1ccccc1OCCCN(C)C	2824856	XRRHNBLBGUKSIC-CYBMUJFWSA-N	235.371	3.531	0	50	BHAA	
ClC1(Cl)C23CC=CCC12CC=CC3	3070119	ROADYGVNKKXDOU-UHFFFAOYSA-N	215.123	3.847	0	50	BHAA	
C[C@@H]1CCC[C@@H](CNC(=O)CCC(C)(C)C)C1	170634188	FXSBJSNJBZWHLV-CHWSQXEVSA-N	239.403	3.755	0	50	BHAA	
CCCCNc1cccc(-c2ccon2)c1	901484085	JTNVOSBONKKSPI-UHFFFAOYSA-N	216.284	3.554	0	50	BHAA	
O=C(O)/C=C/c1ccccc1Oc1ccccc1	167431	SDXHWGNPWXDXTC-ZHACJKMWSA-N	240.258	3.577	0	50	BHAA	
CCCCC[C@H](C)NC(=O)Nc1ccccc1	6203587	QRUDUOCFJMNXMJ-LBPRGKRZSA-N	234.343	3.777	0	50	BHAA	
CC/C=C\CCOC(=O)/C=C/c1ccccc1	20231702	FKWGVMQNGUQXDN-FECXASIGSA-N	230.307	3.599	0	50	BHAA	
O=C1CCC23CC=CCC2(CC=CC3)CC1	45027969	YSIIENGAPRCJKY-UHFFFAOYSA-N	216.324	3.802	0	50	BHAA	
C[C@@H](Nc1nnc(C2CCC2)o1)C1=CCCCC1	95359460	SQUFREDIJZPYOI-SNVBAGLBSA-N	247.342	3.638	0	50	BHAA	
Cc1cc(C)c(-c2sccc2C(=O)O)s1	2325812969	YKDGWHTWOARVKX-UHFFFAOYSA-N	238.333	3.792	0	50	BHAA	
CSc1sc(=S)sc1SC	88171	HOFVXSUZSDYZSA-UHFFFAOYSA-N	226.438	3.983	0	50	BHAA	in-vitro
O=C(O)c1ccccc1-c1ccccc1Cl	2173405	AXQNGPFNBORSKU-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
Nc1ccccc1-c1ccccc1C(F)(F)F	2574093	WCZMZZQCLUPFHA-UHFFFAOYSA-N	237.224	3.955	0	50	BHAA	
Nc1cc(Cl)ccc1OCc1ccccc1	6743065	UJZOHHSRILPGAX-UHFFFAOYSA-N	233.698	3.501	0	50	BHAA	
c1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc21	20129803	QWQGGLGOFRUHPH-ROUUACIJSA-N	249.357	3.951	0	50	BHAA	
COc1ccc(Cl)cc1Cc1ccccc1	32256263	GKMMCEUWHDXDBZ-UHFFFAOYSA-N	232.710	3.939	0	50	BHAA	
c1ccc(C[C@@H]2CCc3ccccc3O2)cc1	44123864	PDPBIXXIHOWWHA-HNNXBMFYSA-N	224.303	3.623	0	50	BHAA	
CC[C@H](C(=O)O)[C@H]1C[C@@H](C)CC(C)(C)C1	168224917	GTCDXCQOKLGTDV-VWYCJHECSA-N	212.333	3.560	0	50	BHAA	
C=Cc1ccc(-c2cccc(C=O)c2F)cc1	725241353	OIMHJICXLGXUBK-UHFFFAOYSA-N	226.250	3.948	0	50	BHAA	
CC1(C)CCC=C(c2cccc(C(=O)O)c2)C1	725246380	XKZPADPYVBCEFM-UHFFFAOYSA-N	230.307	3.978	0	50	BHAA	
CCCCOC(=O)Nc1cc(C)ccc1C	1770645	OUSQZAUHANQTTM-UHFFFAOYSA-N	221.300	3.652	0	50	BHAA	
Cc1ccc(NC(=O)C2CCCCC2)c(F)c1	7265136	MGBZXEIJEMDNMM-UHFFFAOYSA-N	235.302	3.653	0	50	BHAA	
Fc1cc(F)cc(OCc2ccccc2)c1	36373264	PEDMGHKJUCZTHB-UHFFFAOYSA-N	220.218	3.544	0	50	BHAA	in-vitro
Cc1ccc(F)c(C(F)(F)F)c1Cl	66330495	QWMZFRYKDGGQAS-UHFFFAOYSA-N	212.573	3.806	0	50	BHAA	in-vitro
Cc1ccc2c(=O)c3ccc(Cl)cc3oc2c1	139181640	LTGSVUCXQHLCJE-UHFFFAOYSA-N	244.677	3.908	0	50	BHAA	
O=Cc1ccccc1Cc1ccc(Cl)cc1	141838211	ZVVBWUHNZYTNBH-UHFFFAOYSA-N	230.694	3.743	0	50	BHAA	
C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C1	252516751	WLXVYAPNARXPGX-MQYQWHSLSA-N	237.387	3.508	0	50	BHAA	
COc1ccc(Sc2cccs2)cc1	115900	ZFGQRWUDFLQQHZ-UHFFFAOYSA-N	222.334	3.908	0	50	BHAA	
O=c1c(Cl)coc(-c2ccccc2)c1Cl	401619	UOVRKAVJUFQBMG-UHFFFAOYSA-N	241.073	3.614	0	50	BHAA	
Cn1c(-c2ccccc2)cc2ccccc21	1081188	SFWZZSXCWQTORH-UHFFFAOYSA-N	207.276	3.845	0	50	BHAA	
Clc1ccc(/C=C/CNCc2ccco2)cc1	4942997	USSVMOXOYDMUGD-HNQUOIGGSA-N	247.725	3.736	0	50	BHAA	
CC(C)CCSC(=O)Nc1ccccc1	4950737	XDJHONZYIXPZSP-UHFFFAOYSA-N	223.341	3.998	0	50	BHAA	
Fc1cc(Cl)cnc1NC1CCCCC1	38536984	NEAIMLCKTCIVPG-UHFFFAOYSA-N	228.698	3.619	0	50	BHAA	in-vitro
FC(F)(F)c1cnc(Cl)c(C(F)(F)F)c1	39619553	NZDGCDJQSHKITG-UHFFFAOYSA-N	249.541	3.773	0	50	BHAA	
Cc1cc(-c2ccc(O)cc2)ccc1F	65339950	BDHYNFUGKOXMGQ-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
O=C1C[C@@H](c2ccccc2)c2cccc(F)c21	1396640	TUQUCVQMVSSGPM-LBPRGKRZSA-N	226.250	3.544	0	50	BHAA	
C=C[C@@H](CCC(=C)C)[C@H](C(=O)O)[Si](C)(C)C	169833293	MCMUBZWTRLTXEW-NWDGAFQWSA-N	240.419	3.938	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(C)cc2C)cc1	557910	VENWGZIIEFARPS-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Fc1ccc(Br)c(C(F)(F)F)c1	49952245	AIDVAZGOACECLJ-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Fc1ccc(Br)c(C(F)F)c1	66309143	XCLIWLPXTOXVAA-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
Cc1ccc2c(c1)C(=CC=C1C=CN(C)C=C1)C=N2	1857525195	DGEOBTFQUSETAW-UHFFFAOYSA-N	248.329	3.994	0	50	BHAA	
CCc1ccc(C(=O)Nc2ccccc2)cc1	3481012	GJHXSOFRIDXGIA-UHFFFAOYSA-N	225.291	3.501	0	50	BHAA	
CC(C)(C)NCc1ccc(-c2ccccc2F)o1	4942849	NMAHHZAQJNSOJV-UHFFFAOYSA-N	247.313	3.974	0	50	BHAA	
Cc1cc(C)cc(NC(=O)N2CCC[C@@H](C)C2)c1	6741615	BUZSPGUQJZTNDY-LLVKDONJSA-N	246.354	3.567	0	50	BHAA	
CC[C@@H](C)Oc1cccc(Br)c1	20217377	IYTODUNJECOLAN-MRVPVSSYSA-N	229.117	3.626	0	50	BHAA	
CC(C)Oc1ccc(C2CCC(=O)CC2)cc1	146907268	SUFQPKJYDDUXQC-UHFFFAOYSA-N	232.323	3.701	0	50	BHAA	
CC1=C[C@H]2[C@@H]([C@@H](C)C(=O)O)CC[C@@H](C)[C@H]2CC1	257459994	JYGAZEJXUVDYHI-DHGKCCLASA-N	236.355	3.726	0	50	BHAA	biogenic
CCOc1cc(Cl)cc(C(F)(F)F)c1F	261494146	QWQYYWKHYYPPIQ-UHFFFAOYSA-N	242.599	3.897	0	50	BHAA	
Cc1ccc(C)c(NC(=O)c2cccc(F)c2)c1	362373	GGOLUMSRGJCQQX-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CCCCNCCOc1ccc2ccccc2c1	2931438	OYPMRPQXRMAJEY-UHFFFAOYSA-N	243.350	3.608	0	50	BHAA	
COc1cc(Cl)ccc1[C@H]1CCCCCN1	4237895	XGQUKTYNXGRVRD-GFCCVEGCSA-N	239.746	3.553	0	50	BHAA	in-vitro
CC(C)Cn1c([C@@H]2CCCO2)nc2ccccc21	21782650	VEBASDDQTQGAHG-AWEZNQCLSA-N	244.338	3.544	0	50	BHAA	
Cc1nc(C)c(-c2cccc3cnccc23)s1	71416278	TVKKRFQANVMGHG-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
CC[C@@H](C)c1csc([C@@H]2CCCO2)n1	136477023	LDRAMTPOKASDRJ-SCZZXKLOSA-N	211.330	3.508	0	50	BHAA	
O=C1Cc2cc(/C=C/C3CCCCC3)ccc2N1	426523482	NDRMPELPMOUBKJ-VOTSOKGWSA-N	241.334	3.775	0	50	BHAA	
O=C(Cc1ccccc1)Nc1cccc(Cl)c1	240506	GAWITMMQHFGOMV-UHFFFAOYSA-N	245.709	3.521	0	50	BHAA	
c1cc2c(c(NCc3ccncc3)c1)CCCC2	291730	DWFORFCPZMZURG-UHFFFAOYSA-N	238.334	3.573	0	50	BHAA	
CC(C)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1	407523	XXQDJUNURJDEFL-SECBINFHSA-N	240.734	3.506	0	50	BHAA	
CCCCc1cc(=O)oc2cc(OCC)ccc12	2817831	ZFPKRRNLMUIAAQ-UHFFFAOYSA-N	246.306	3.534	0	50	BHAA	biogenic
C[C@H](c1ccccc1)[C@@](C)(O)c1ccccc1	3136775	NCIAKSBPWVOMFR-CZUORRHYSA-N	226.319	3.698	0	50	BHAA	
COC1=Nc2ccccc2C=Cc2ccccc21	16952613	CISBQNNKFRIIDE-UHFFFAOYSA-N	235.286	3.895	0	50	BHAA	
Oc1ccc(-c2ccccc2)cc1Br	120460	DZGMMVYPLBTLRQ-UHFFFAOYSA-N	249.107	3.822	0	50	BHAA	biogenic
C[C@@H]1CC2(CCCC2)NCc2ccccc21	3881308	WMTBEZWEXCXXOQ-GFCCVEGCSA-N	215.340	3.596	0	50	BHAA	
c1ccc([C@H]2Nc3ccccc3S2)cc1	33488753	YKJUYTXCRIKRND-ZDUSSCGKSA-N	213.305	3.903	0	50	BHAA	
CC(C)[Si](C(C)C)(C(C)C)N(C)C	170155223	RDGLSXXPVKFUJI-UHFFFAOYSA-N	201.430	3.724	0	50	BHAA	
Nc1ncccc1-c1ccc2ccsc2c1	1243474517	MXMWWQSQVMYIES-UHFFFAOYSA-N	226.304	3.546	0	50	BHAA	
Clc1ccc(Br)c(Cl)c1	404061	ISHYFWKKWKXXPL-UHFFFAOYSA-N	225.900	3.756	0	50	BHAA	in-vitro
FC(F)(F)c1ccccc1-n1cc[nH]c1=S	1017746	SHEVDRLIPIJLJW-UHFFFAOYSA-N	244.241	3.554	0	50	BHAA	in-vitro
CCOC(=O)CCCc1cccc2ccccc12	1663824	CLIGSMWJCIJRGQ-UHFFFAOYSA-N	242.318	3.726	0	50	BHAA	
CC1(C)CC(=O)CC(C)(C)P1c1ccccc1	5302770	OVNKJCJEHZIBLX-UHFFFAOYSA-N	248.306	3.714	0	50	BHAA	
Oc1ccc(O)c(SC2CCCCC2)c1	6240702	XERPEFJHBDYCAT-UHFFFAOYSA-N	224.325	3.523	0	50	BHAA	
CN1CCC[C@@H]2CCC[C@@H](c3ccccc3)[C@H]21	257356671	JOUQNHPNPHYSCX-JYJNAYRXSA-N	229.367	3.665	0	50	BHAA	
CC(C)[C@@H]1CCC(=O)C[C@@H]1SC(C)(C)C	725360560	IPHCWDMMTTZRTL-RYUDHWBXSA-N	228.401	3.912	0	50	BHAA	
O=C(c1ccccc1)c1cc2ccccc2o1	75321	DZRJNLPOTUVETG-UHFFFAOYSA-N	222.243	3.664	0	50	BHAA	biogenic
Brc1cnccc1-c1ccccc1	2599071	LVNPADQPUYHCOR-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	
Cc1cc(C(=O)Nc2cc(F)ccc2C)cs1	2784832	WKZZUPYWSPLZRJ-UHFFFAOYSA-N	249.310	3.756	0	50	BHAA	
Cc1cc(F)ccc1NC(=O)Nc1ccccc1	6741154	FHJDOVQLALNTLK-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
Clc1cc(Br)cc2[nH]ccc12	14983103	JSFRDTNSPFYYTQ-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
Brc1ccc(SC2CC2)cc1	38537784	BIVPXDHUZDKZKC-UHFFFAOYSA-N	229.142	3.704	0	50	BHAA	in-vitro
CCc1cnc(C)nc1N[C@@H](C)c1ccsc1	1529177735	FIGQUKNAYJASHJ-VIFPVBQESA-N	247.367	3.582	0	50	BHAA	
N=C(NC1CCCCC1)c1ccc(Cl)cc1	608488	ZMFKHOUYJSTZEL-UHFFFAOYSA-N	236.746	3.588	0	50	BHAA	
COc1ccc(-c2cscn2)c2ccccc12	1520178	XPQKHLRBFQNESL-UHFFFAOYSA-N	241.315	3.972	0	50	BHAA	in-vitro
O[C@H](c1ccccc1)c1cc(F)cc(Cl)c1	4242474	DZILTMPJQKYUNK-CYBMUJFWSA-N	236.673	3.561	0	50	BHAA	
c1ccc2nc(N3CCCCCC3)ccc2c1	5092649	QVPLSVDMRRBHFN-UHFFFAOYSA-N	226.323	3.615	0	50	BHAA	
C(=C/c1ccc2ocnc2c1)\c1ccccc1	67771469	CBMJDMDBJWFUAF-VOTSOKGWSA-N	221.259	3.998	0	50	BHAA	
CC1=C(C)CP(=O)(N(C(C)C)C(C)C)C1	71783106	HMPDLCJKEWKGOK-UHFFFAOYSA-N	229.304	3.733	0	50	BHAA	
C=C=C(C(O)(CCC)CCC)[Si](C)(C)C	169828384	QAIIYJIHUJXOLM-UHFFFAOYSA-N	226.436	3.906	0	50	BHAA	
CSc1ccccc1-c1nccn1C(C)C	426386930	QGRQIRDWVULESW-UHFFFAOYSA-N	232.352	3.853	0	50	BHAA	
Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1	123003	GYSYRVJSEWBENX-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
Cn1cncc1-c1ccccc1-c1ccccc1	65371002	ODAZCTHLTVPXJD-UHFFFAOYSA-N	234.302	3.754	0	50	BHAA	
Oc1cc(F)c(OC2CCCC2)c(Cl)c1	261493716	HUJPCAKXPOQDSB-UHFFFAOYSA-N	230.666	3.506	0	50	BHAA	
COc1ccc(-n2ccc3ccccc32)cc1	264447	CJJDJQFZVLGJLB-UHFFFAOYSA-N	223.275	3.639	0	50	BHAA	
O=C(Nc1ccccc1)SCc1ccco1	390080	UERYSWLEZFTTDP-UHFFFAOYSA-N	233.292	3.745	0	50	BHAA	
Cc1cccc(OCCCCNC(C)(C)C)c1C	2898655	UIWFXHRGENQBHO-UHFFFAOYSA-N	249.398	3.851	0	50	BHAA	
CCCc1ccc([C@H](O)c2ccccc2)cc1	35287571	OZONENRHOGHZJC-MRXNPFEDSA-N	226.319	3.721	0	50	BHAA	in-vitro
O[C@H](c1c(Cl)cccc1Cl)C(F)(F)F	43367938	FOPZLSDSXPODKZ-SSDOTTSWSA-N	245.027	3.589	0	50	BHAA	
CC1=C(c2ccccc2)[C@H]2CC(=O)[C@@H]2C1(C)C	45027793	HLZHQLPZKAKRDD-IUODEOHRSA-N	226.319	3.705	0	50	BHAA	
Oc1cc(Cl)cc(-c2ccc(F)c(F)c2)c1	65343205	DZHBVEZYMKHQMH-UHFFFAOYSA-N	240.636	3.991	0	50	BHAA	
Cc1ccc(F)cc1Cn1ccnc1C(C)C	71738553	CXSOTXKJWNGHOB-UHFFFAOYSA-N	232.302	3.502	0	50	BHAA	
CCO[C@H](C)c1ccc(-c2cnn(CC)c2)cc1	96148921	BRABKEFSPUPZAO-GFCCVEGCSA-N	244.338	3.668	0	50	BHAA	
Fc1ccc(SCCc2ccccn2)cc1	231803	LAGVFMQMEDEGPV-UHFFFAOYSA-N	233.311	3.556	0	50	BHAA	
Cc1cccc(NC(=O)CC2CCCCC2)c1	1186984	DIKKULSRJHLOOG-UHFFFAOYSA-N	231.339	3.904	0	50	BHAA	
CCOP(=O)(Cc1ccccc1C)OCC	2560578	SAVIMLRIKAZZCZ-UHFFFAOYSA-N	242.255	3.761	0	50	BHAA	in-vitro
Fc1cc(Br)cc(C(F)(F)F)c1	2584345	LIGBGEJPUQBLTG-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Clc1ccc(-c2ccc(CNC3CC3)o2)cc1	6697894	RRHLPEXRBDOGQH-UHFFFAOYSA-N	247.725	3.852	0	50	BHAA	
O=C(Nc1ccccc1)[C@@H]1[C@@H]2C=CCCCC[C@H]21	253979431	QAUWUDWLPNVUBH-RBSFLKMASA-N	241.334	3.618	0	50	BHAA	
Oc1cc(C(F)(F)F)nc2cc(Cl)ccc12	161359	ZJZPFKHDRYBYBO-UHFFFAOYSA-N	247.603	3.613	0	50	BHAA	in-vitro
CC(C)CCNC(=O)c1cccc2ccccc12	376343	OWEDDNPVHSJWFI-UHFFFAOYSA-N	241.334	3.616	0	50	BHAA	
CCC(C)(C)C1CCC(CC(=O)OC)CC1	685951564	RYWUPEAWOFVEIY-UHFFFAOYSA-N	226.360	3.792	0	50	BHAA	
C=C=Cc1cccc(-c2ccccc2O)c1O	399636	ZBTSQAOAZBNLCM-UHFFFAOYSA-N	224.259	3.563	0	50	BHAA	
CC(=O)O[C@@H]1CCCC[C@@H]1C1CCCCC1	402276	ZEJHMZKXUUMYAY-ZIAGYGMSSA-N	224.344	3.689	0	50	BHAA	
Cc1ccc(OCCCCN2CCCC2)c(C)c1	2494094	IWBDCWAIDITIJT-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Fc1ccc(-c2cnc(-c3ccncc3)o2)cc1	22203671	ZHUSRGSPJYHDNI-UHFFFAOYSA-N	240.237	3.543	0	50	BHAA	
Cc1cc(C)c2oc(-c3cccc(N)c3)nc2c1	122977	WZPIBINNNLSKNQ-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
CC(C)(Cc1ccc(Cl)cc1)N1CCCC1	96027557	UOQRNIBLLKKAOR-UHFFFAOYSA-N	237.774	3.757	0	50	BHAA	
CC1(C)c2ccccc2-c2ccc(C=O)cc21	144756198	YJMRMSQQQCEPCM-UHFFFAOYSA-N	222.287	3.805	0	50	BHAA	
COc1ccc(NC(=O)CC2CCCCC2)cc1	451523	SCFJMQSXUCFKPS-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	in-vivo
O=Cc1c(C2CCCC2)[nH]c2ccccc12	3675817	QWJLWGDYSIBBQE-UHFFFAOYSA-N	213.280	3.638	0	50	BHAA	in-vitro
Nc1ccccc1SCc1ccccc1F	6392596	AVRBBNGIGYOUHH-UHFFFAOYSA-N	233.311	3.700	0	50	BHAA	in-vitro
COc1cccc(Sc2ccccc2C=O)c1	6848084	SOOXPJFTYXYFPE-UHFFFAOYSA-N	244.315	3.659	0	50	BHAA	
Cc1ccccc1Oc1ncnc2sccc12	102215	UVLLVTZTKIDMKA-UHFFFAOYSA-N	242.303	3.792	0	50	BHAA	
CC[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl	235778	JVXMWYNJFMRUSP-SSDOTTSWSA-N	246.137	3.522	0	50	BHAA	
Clc1ccccc1[C@@H]1CCCCCN1	4234911	GSPTWJCZHYXZHW-LBPRGKRZSA-N	209.720	3.545	0	50	BHAA	in-vitro
CCSc1ccccc1Br	21303151	REUXZHQDXRDRII-UHFFFAOYSA-N	217.131	3.561	0	50	BHAA	in-vitro
CC[C@H](CC(=O)O)c1ccc(CC(C)C)cc1	36140359	ANCNWCSUQJUYNG-CYBMUJFWSA-N	234.339	3.853	0	50	BHAA	
CCCCOc1cc(F)c(C)cc1Cl	261493804	JRSQXPJSJCFYMU-UHFFFAOYSA-N	216.683	3.966	0	50	BHAA	
CC[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1	392880	TYFQTQSXAHXBLL-LLVKDONJSA-N	234.343	3.730	0	50	BHAA	
CCc1cccc(NC(=O)NC2CCCCC2)c1	475934	STXMSUGVXDMHKL-UHFFFAOYSA-N	246.354	3.703	0	50	BHAA	
C[C@@H]1CCC[C@]1(c1ccccc1)[C@@H]1CCCCN1	96027031	ZXEQNXYHWFKBDF-PVAVHDDUSA-N	243.394	3.887	0	50	BHAA	
Cc1cc(C)cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1	101635558	WIUIFGQEVWZRCG-YDHLFZDLSA-N	243.350	3.678	0	50	BHAA	
CCCCCCC1CCC(C(=O)O)CC1	1678250	POEBGIQSFIJHAX-UHFFFAOYSA-N	212.333	3.848	0	50	BHAA	
Cc1cccc(NCCNc2cccc(C)c2)c1	3878341	WXEZZUDLDARSKV-UHFFFAOYSA-N	240.350	3.827	0	50	BHAA	
CC(=O)c1ccccc1OCc1cccc(F)c1	4255882	CUKCWZGAIDGWJJ-UHFFFAOYSA-N	244.265	3.607	0	50	BHAA	
CCc1oc2c(N)cc(Cl)cc2c1C	19093197	UWMAPXLLIJGCQM-UHFFFAOYSA-N	209.676	3.539	0	50	BHAA	
COC(=O)c1cc(F)cc(-c2ccccc2C)c1	97757311	AZJLOAHDMKMDDU-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@]2(C)C[C@H]12	104290948	MFBMSFICEUZSLU-GFOPWETNSA-N	244.334	3.705	0	50	BHAA	
Cc1cccnc1CSc1ccoc1C	131311542	BWKATHPAKJTOEP-UHFFFAOYSA-N	219.309	3.584	0	50	BHAA	
Cc1ccc2cc(-c3cccnc3)[nH]c2c1	50693	BKJUALJDZUWJHW-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	
FC(F)(F)c1cc(Cl)nc2ccccc12	2513530	FNDXRWXUIYHEDU-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
CCCCSc1cc(C(=O)O)ccc1Cl	25725562	NLJZCBWUKAMAJS-UHFFFAOYSA-N	244.743	3.930	0	50	BHAA	
CC(=O)Nc1cccc(NC2(C)CCCCC2)c1	257354881	CTPRACDMFNBQBD-UHFFFAOYSA-N	246.354	3.780	0	50	BHAA	
Cc1nc2cc(-c3ccncc3C)ccc2s1	1240610157	DFFMFKZRPKATAM-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
CSc1nc2c(ccc3ccccc32)o1	180121	HPYQPLGUSVCKSX-UHFFFAOYSA-N	215.277	3.703	0	50	BHAA	
Cc1ccc(OCCCN2CCCCC2)cc1C	2494154	JMDNTTQEAFPDQI-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
CSc1ccc(-c2nc3ccccc3[nH]2)cc1	2876238	YQLKXGCMXHKVJH-UHFFFAOYSA-N	240.331	3.952	0	50	BHAA	
FC(F)(F)c1ccc2ccc(Cl)nc2c1	26506753	YAQSVMJOGLVYGQ-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
Cc1cccc(-c2ccc(Cl)s2)n1	45028332	ZZHQQXNJFWDLDI-UHFFFAOYSA-N	209.701	3.772	0	50	BHAA	
C[C@H](CC(=O)O)C1=C[C@]2(C)C[C@@H]2CC(C)(C)C1	71786232	JSIYILXJZQYKNQ-IFUGULHKSA-N	236.355	3.870	0	50	BHAA	
CC(=O)Nc1cc(N[C@@H](C)C2CCC2)ccc1C	182962766	UZOCDPXPJSDYRV-NSHDSACASA-N	246.354	3.554	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@@]13C[C@H]2C[C@H]1[C@H]1CC[C@H]3C1	257355407	AOEUPYAFASLOBB-JBMZLJQVSA-N	244.378	3.818	0	50	BHAA	
CCOC(C)(OCC)Sc1ccccc1	4823459	SHBHFTRNKOBJDG-UHFFFAOYSA-N	226.341	3.525	0	50	BHAA	
CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(C)cc1	13745308	AKERBRRKMUOBDQ-JSGCOSHPSA-N	248.370	3.544	0	50	BHAA	
CC1=C[C@@H]2C(C(C)(C)O)=C[C@H]1C[C@@H]2C(C)C	71773487	NDYITPSGAZLHSH-UPJWGTAASA-N	220.356	3.552	0	50	BHAA	
CCC(C)(C)c1ccc(O)c(C(=O)C(C)C)c1	110161464	ZLMDIHGJYWZUMA-UHFFFAOYSA-N	234.339	3.919	0	50	BHAA	
O=C(O)C1CCC(c2ccc(Cl)cc2)CC1	105354	NXXDIEYTMQYWJU-UHFFFAOYSA-N	238.714	3.698	0	50	BHAA	in-vitro
CC[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	373189	GREVJEWXSUUOOV-ZETCQYMHSA-N	246.137	3.978	0	50	BHAA	
O=C(c1ccccc1)c1ccc(Cl)s1	480773	HGDKOUQMGFUNRP-UHFFFAOYSA-N	222.696	3.633	0	50	BHAA	
Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2	1689980	KFDJRBSJHWTGSL-UHFFFAOYSA-N	208.260	3.515	0	50	BHAA	in-vitro
CC(C)SCCCOc1ccc(F)cc1	23115555	QWPGOWPTBSAVKE-UHFFFAOYSA-N	228.332	3.736	0	50	BHAA	
Cc1cc(F)c(F)c(Br)c1Cl	65356629	USBJXABOSIMXOC-UHFFFAOYSA-N	241.462	3.689	0	50	BHAA	
CC(C)COc1c(F)cc(Cl)cc1F	261493399	AIKNJAYHPHBALG-UHFFFAOYSA-N	220.646	3.653	0	50	BHAA	
Cc1cc(C)c2c(c1N)[C@@H](C)CC2(C)C	669374536	JFECLCFJQIZGIL-JTQLQIEISA-N	203.329	3.670	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)c1ccccc1	102727	HCMMPLSOWUBZAH-UHFFFAOYSA-N	231.682	3.592	0	50	BHAA	
Cc1ccc(NC(=O)CCc2ccccc2)cc1	271031	ZEPROHGLZFUZOM-UHFFFAOYSA-N	239.318	3.566	0	50	BHAA	
Cc1ccc(NC(=O)Nc2ccccc2)c(C)c1	395272	JGKIBRQNDVAOOU-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
FC(F)(F)c1cc(/C=C/c2cccs2)no1	12374946	SPEQNZICDFNQSP-ONEGZZNKSA-N	245.225	3.925	0	50	BHAA	
Cc1ccc(Cl)c(-c2cccc([C@@H](C)O)n2)c1	96133518	PUIMOOAEAJIXIW-SNVBAGLBSA-N	247.725	3.764	0	50	BHAA	
COc1cccc2c3c(c(C)nc12)C[C@H](C)S3	34237	YYPPVHYJGCMWKH-QMMMGPOBSA-N	245.347	3.589	0	50	BHAA	biogenic
O=C1CC[C@@H](c2ccccc2)c2ccc(O)cc21	303116	IHHCACIVDBWLHA-ZDUSSCGKSA-N	238.286	3.501	0	50	BHAA	biogenic
Cc1ccc(C(=O)Nc2c(C)cccc2C)s1	370861	ROEYWVPURFMBDY-UHFFFAOYSA-N	245.347	3.926	0	50	BHAA	
C[C@@H](c1ccccc1)[C@H](OC=O)c1ccccc1	409744	VYNGOGJIFUEHLX-BBRMVZONSA-N	240.302	3.704	0	50	BHAA	
O=Cc1c[nH]c2ccc(-c3ccccc3)cc12	6864597	PCRRCKNLNAJPHQ-UHFFFAOYSA-N	221.259	3.647	0	50	BHAA	
CCCSc1ccc(Br)cc1	6944581	XLTBVGAEUXNUNJ-UHFFFAOYSA-N	231.158	3.951	0	50	BHAA	
C[C@H](C(=O)NC1CCCCCC1)c1ccccc1	163570139	DGFFETGLXOHDPE-ZDUSSCGKSA-N	245.366	3.629	0	50	BHAA	
Cc1ccc(CNC(=O)CCC2CCCC2)cc1	375748	MNGBTTRXKKJYBY-UHFFFAOYSA-N	245.366	3.582	0	50	BHAA	
COc1ccc(Nc2ccc([N+]#N)cc2)cc1	4521920	VTTTXQSHPXIRJX-UHFFFAOYSA-N	226.259	3.923	0	50	BHAA	in-vitro
Clc1nccc2cc(Br)ccc12	36257952	VOAHGGQULSSGQW-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
COC(=O)c1ccc(-c2ccccc2)cc1Cl	97756958	DYTXGXKGEPJADU-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
C1=CC[C@]23CSC[C@]2(C1)Cc1ccccc1C3	101037066	ZEHLKKQWOFVPTO-HOTGVXAUSA-N	242.387	3.855	0	50	BHAA	
Fc1ccc(-c2cccnc2)cc1Cl	164665125	WYNJCQZQQOKVJI-UHFFFAOYSA-N	207.635	3.541	0	50	BHAA	
Cc1ccccc1-c1nnc(-c2ccccc2)o1	191184	ZCRJBSKEADQYHE-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
CC(C)(C)c1ccc(N)c(C(C)(C)C)c1	2583701	PWGOAQYJIYOGBG-UHFFFAOYSA-N	205.345	3.864	0	50	BHAA	
Clc1ccc(Oc2ncccn2)c(Cl)c1	6244372	VWKSYFPPEXCSJB-UHFFFAOYSA-N	241.077	3.576	0	50	BHAA	
Oc1ccc(Oc2ccc(Cl)cc2)cc1	20391128	XQMRZWSYBUCVAX-UHFFFAOYSA-N	220.655	3.838	0	50	BHAA	in-vitro
Cc1cc(N(C)CC2CC2)c2cc(F)ccc2n1	301674123	PCMBXGBFBMCXTD-UHFFFAOYSA-N	244.313	3.529	0	50	BHAA	
C[C@H](c1ccccc1)n1cnc2ccccc21	167639	AYYHFRJNEMYJKT-GFCCVEGCSA-N	222.291	3.646	0	50	BHAA	
O=Cc1ccccc1-c1ccc(Cl)c(F)c1	8729819	KWNKSAXMTKXQHL-UHFFFAOYSA-N	234.657	3.959	0	50	BHAA	
Cc1cc(Cl)ccc1NC(=O)c1ccoc1C	9544448	UPTXDDCJAPRMFR-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
CCC(CC)C[C@@H](N)c1ccccc1C	128045078	RSVYKSBLTPUULY-CQSZACIVSA-N	205.345	3.821	0	50	BHAA	
Cc1cccc2c(NC3CC(F)(F)C3)nccc12	579224835	IDBBYNNNWUQOJA-UHFFFAOYSA-N	248.276	3.753	0	50	BHAA	
CCCS[C@@H]1CC(=O)CCC12CCCC2	725363003	WLMAKHZCOATUDD-GFCCVEGCSA-N	226.385	3.812	0	50	BHAA	
O=[N+]([O-])/C=C/c1ccc(-c2ccc(Cl)cc2)o1	447855	AMXFBQZLYWQFDG-BQYQJAHWSA-N	249.653	3.847	0	50	BHAA	
CCc1c(C)[nH]c2ccc(OC)cc2c1=S	6519497	GWRODOLHHOXXKP-UHFFFAOYSA-N	233.336	3.777	0	50	BHAA	
CCCCc1ccc(-n2cccc2C(=O)O)cc1	6840815	KBOGXULSVVVIBF-UHFFFAOYSA-N	243.306	3.518	0	50	BHAA	
CC(C)(C)OC(=O)Nc1c[nH]c2ccccc12	40457305	YIFUEEQYEIDYGJ-UHFFFAOYSA-N	232.283	3.515	0	50	BHAA	
FC(F)(F)C1(C(F)(F)F)CCCC1	114081044	UOIMSWITZOPHTP-UHFFFAOYSA-N	206.129	3.671	0	50	BHAA	
Cn1cc(NC(=O)OC(C)(C)C)c2ccccc21	144611230	WFQKWCNYWCUWSN-UHFFFAOYSA-N	246.310	3.525	0	50	BHAA	
Clc1cnc(Cl)c(Cl)c1Cl	1841006	DLOOKZXVYJHDIY-UHFFFAOYSA-N	216.882	3.695	0	50	BHAA	
Cc1cccc(C)c1OCCCCN1CCCC1	3106134	SBCIQSYOSCXIPO-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
Oc1cccc(-c2ccc(Cl)cc2)c1	16946977	CIPDQYWUAVNLSD-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	
COc1ccc(C(C)(C)C)cc1Br	39259836	KBJMBOZJLNXKDI-UHFFFAOYSA-N	243.144	3.755	0	50	BHAA	
Brc1ccccc1-c1ccccn1	39426854	NNGXNALKPNFUQS-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
Cc1cc(C)c(Cl)c(Br)c1	63339598	XWIPLQBBRKEAKB-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	in-vitro
CCCCc1cc2ccc(C(=O)OCC)cc2[nH]1	95628591	BJRMBSQNGCIMCH-UHFFFAOYSA-N	245.322	3.687	0	50	BHAA	
CC1(C)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@@H]1C=C[C@@H]12	216356547	FKKLDLHRVFCMQW-XNISGKROSA-N	238.334	3.948	0	50	BHAA	
Clc1ccc(OCC2CC2)cc1Cl	261494141	QTQRABRNTXYFEF-UHFFFAOYSA-N	217.095	3.782	0	50	BHAA	
Cc1cccc(NC(=O)SC(C)C)c1	396712	ZBEMTXOGSRLQTQ-UHFFFAOYSA-N	209.314	3.669	0	50	BHAA	
S=c1[nH]c2cc(Cl)ccc2s1	1653247	NKYDKCVZNMNZCM-UHFFFAOYSA-N	201.703	3.612	0	50	BHAA	in-vitro
Cc1ccc(OC(=O)c2ccccc2F)cc1C	12137955	NBDHVOYORWPBMU-UHFFFAOYSA-N	244.265	3.662	0	50	BHAA	
c1ccc(CSCCc2ccncc2)cc1	17433311	PNKGCTZQQQGNKN-UHFFFAOYSA-N	229.348	3.558	0	50	BHAA	in-vitro
c1cc(-c2nccc3occc23)c2cc[nH]c2c1	67847240	JOWPGIKZQJKZES-UHFFFAOYSA-N	234.258	3.976	0	50	BHAA	
C=C(C)C(=O)OC1(c2ccccc2)CCCCC1	115301647	FOEQQJNHGXZVLE-UHFFFAOYSA-N	244.334	3.965	0	50	BHAA	
FC(F)(F)Oc1cc(Cl)cc(Cl)c1	117534972	XROPIASPJDAOFV-UHFFFAOYSA-N	231.000	3.892	0	50	BHAA	
Cc1cccc(Nc2ncnc3ccc(C)cc23)c1	442892	AHEHMDXRXAAMGF-UHFFFAOYSA-N	249.317	3.990	0	50	BHAA	
CC(C)N(C(=S)Nc1ccccc1)C(C)C	5454787	ROCDAFMDZLDGDA-UHFFFAOYSA-N	236.384	3.502	0	50	BHAA	
S=C(SCc1ccccc1)n1cccc1	86012930	AGCPVOYGTAIJAP-UHFFFAOYSA-N	233.361	3.555	0	50	BHAA	
Nc1ccccc1SCc1ccccc1	397915	YOLYJTSQMGIQOP-UHFFFAOYSA-N	215.321	3.561	0	50	BHAA	in-vitro
CCCNC(=O)Nc1ccc(Cl)c(Cl)c1	1700349	KIQHGAXOSYPDMA-UHFFFAOYSA-N	247.125	3.525	0	50	BHAA	
CC[C@@H](C)c1ccccc1OCCNC(C)C	3001774	AHPWWFGANJDJDG-CYBMUJFWSA-N	235.371	3.577	0	50	BHAA	
CC(C)n1cnc2cc(C(F)(F)F)ccc21	40417279	RTRYZOJBGJLHDS-UHFFFAOYSA-N	228.217	3.636	0	50	BHAA	
CC(C)(C)C(=O)c1ccc(OC(F)(F)F)cc1	74937926	VTGSZGVSKUSSMP-UHFFFAOYSA-N	246.228	3.814	0	50	BHAA	in-vitro
Cc1ccc(SCc2ccccc2)nc1	97150630	ZJZOCLOFPYDPTK-UHFFFAOYSA-N	215.321	3.682	0	50	BHAA	
CC(C)(C)C(=O)Nc1ccc(Cl)c(Cl)c1	93670	WMFDYXPRRHDSQS-UHFFFAOYSA-N	246.137	3.978	0	50	BHAA	in-vitro
O=Cc1ccccc1Oc1cccc(Cl)c1	167667	JEPWDAWNQGZIFB-UHFFFAOYSA-N	232.666	3.945	0	50	BHAA	
Cc1cc(C)cc(NC(=O)c2ccccc2F)c1	311695	GKEBWXLAFINVJG-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
COC(=O)c1cc2sc3ccccc3c2s1	472441	ZTNHIQCMPZAZBJ-UHFFFAOYSA-N	248.328	3.903	0	50	BHAA	
c1coc(-c2nc3ccccc3s2)c1	1665486	PYOHHBLCCRIMFM-UHFFFAOYSA-N	201.250	3.556	0	50	BHAA	
O=Cc1ccc(Sc2ccc(Cl)cc2)o1	3053215	HVUPEZXYRPDLNI-UHFFFAOYSA-N	238.695	3.897	0	50	BHAA	
c1ccc(-c2cc3ccccc3cn2)cc1	3120495	RBJOTRVJJWIIER-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	biogenic
CCC(C)(C)NC(=O)Nc1cccc(Cl)c1	6725978	WAEXUYKZXJVNTM-UHFFFAOYSA-N	240.734	3.650	0	50	BHAA	
Cc1ccc(Cn2ccc3cc(C=O)ccc32)cc1	15424296	KBDBXWMLCDXCSW-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
O=C1CCC(c2ccc(Cl)cc2)CC1	34330426	JNBOVWFOTNYTES-UHFFFAOYSA-N	208.688	3.567	0	50	BHAA	in-vitro
Cc1ccccc1-c1cccc(C(=O)O)c1C	65349446	POCKWWUPOFGQDP-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	
CCO[C@@H](C)c1ccc(-c2nccnc2C)cc1	426623163	DPSJGZRHRQAUDL-LBPRGKRZSA-N	242.322	3.550	0	50	BHAA	
CCOC(OCC)P(=O)(C(C)C)C(C)C	300845	HICYKRUVCMJAMH-UHFFFAOYSA-N	236.292	3.523	0	50	BHAA	
Cc1[nH]c2ccc(Br)cc2c1C	9592650	IOGAIEWEHFPGNO-UHFFFAOYSA-N	224.101	3.547	0	50	BHAA	
CC1=CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2[C@H](O)[C@H]2CC=C[C@H]12	104300290	YCMCSGLLCUSKCL-QVLDLCBMSA-N	244.378	3.552	0	50	BHAA	
CC1CCC(N(C)C(=O)CC2=CCCCC2)CC1	170622362	OPQXGGDFGFGXMU-UHFFFAOYSA-N	249.398	3.914	0	50	BHAA	
c1ccc(Oc2cnn(-c3ccccc3)c2)cc1	436095	JBHGUITZRWDGFY-UHFFFAOYSA-N	236.274	3.665	0	50	BHAA	
c1ccc(-c2cc3cnsc3o2)cc1	4813742	WCDJOKFPZCRHTG-UHFFFAOYSA-N	201.250	3.556	0	50	BHAA	
Cc1cc2occ(C)c2c2c1C(=O)C[C@H](C)C2	70451209	SHEOKDCVBGTHJG-MRVPVSSYSA-N	228.291	3.815	0	50	BHAA	biogenic,in-vitro
COC(=O)c1cccc(-c2ccc(C)c(F)c2)c1	97756964	WWLQUZBJWMUEJG-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1	299163	REKAQXDRHLSQRI-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC(C)CN(CC(C)C)C(=O)C1CCCCC1	474197	WKULOGYXFABEKO-UHFFFAOYSA-N	239.403	3.707	0	50	BHAA	
CCC(CC)c1nc2ccccc2n1CC	572595	NEJFNGKIXQNCJL-UHFFFAOYSA-N	216.328	3.960	0	50	BHAA	
Fc1ccccc1C(Cl)(Cl)Cl	1846634	JYLVSNNSOWDQQX-UHFFFAOYSA-N	213.466	3.652	0	50	BHAA	
CCn1c2ccccc2c2cc(C=O)ccc21	3861172	QGJXVBICNCIWEL-UHFFFAOYSA-N	223.275	3.627	0	50	BHAA	in-vitro
Cc1cccc(NC(=O)C2CCCCC2)c1	12200975	CWVHDXWMBQABJH-UHFFFAOYSA-N	217.312	3.514	0	50	BHAA	
Clc1cccc2c1[nH]c1ccccc12	38888444	DBDCPKPHHCECLZ-UHFFFAOYSA-N	201.656	3.975	0	50	BHAA	
NC[C@@H](CCCc1ccccc1)c1ccccc1	57698430	AZUGCMCIOSZPOB-QGZVFWFLSA-N	239.362	3.752	0	50	BHAA	
Cc1ccsc1-c1nccn1Cc1ccoc1	67756406	KNCMKLWERVJJEU-UHFFFAOYSA-N	244.319	3.561	0	50	BHAA	
O=C1c2ccccc2S[C@@H]1c1ccccc1	84459934	VWIXUROTJVJZOL-CQSZACIVSA-N	226.300	3.716	0	50	BHAA	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1C=O	212411669	HTTWFXHZXOETLO-NWDGAFQWSA-N	242.435	3.766	0	50	BHAA	
C[C@@H]1CCC(=O)C[C@H]1SC1CCCCC1	725362373	RYVHGIBOFPRHKU-ZWNOBZJWSA-N	226.385	3.810	0	50	BHAA	
COc1ccc2ccccc2c1Br	81029	XNIGURFWNPLWJM-UHFFFAOYSA-N	237.096	3.611	0	50	BHAA	
CCOC(=O)c1sc2ccccc2c1Cl	235637	JSXYICUXVVDAMJ-UHFFFAOYSA-N	240.711	3.731	0	50	BHAA	
Cc1ccccc1NC(=O)OC1CCCCC1	395276	LCRIRVHGHZDGOA-UHFFFAOYSA-N	233.311	3.876	0	50	BHAA	
Nc1ccc(-c2ccc(Cl)cc2)cc1	1621382	OREQWMWYRYXCDF-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
CC[C@@H](c1ccccc1)[C@H]1CCCCCN1	3734975	QOWDVQDTBKFJGC-LSDHHAIUSA-N	217.356	3.712	0	50	BHAA	in-vitro
CCc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1	6725740	MNYCXYOFXVYTTL-LBPRGKRZSA-N	246.354	3.655	0	50	BHAA	
CCN(CC)CCC[C@@H](C)n1c(C)ccc1C	35120253	SJSUJPKGYRQFFT-CYBMUJFWSA-N	236.403	3.788	0	50	BHAA	
Cc1nc2c(s1)CSc1ccccc1-2	306330334	DZDUCVKFCPLOSM-UHFFFAOYSA-N	219.334	3.724	0	50	BHAA	
COc1ccccc1-c1cnc(C2CCC2)o1	1775993009	YHPUMBYZFNGQGE-UHFFFAOYSA-N	229.279	3.618	0	50	BHAA	
COc1ccc(O[C@H](C)c2ccccc2)cc1	391566	OHKJTDCMSYRPJK-GFCCVEGCSA-N	228.291	3.835	0	50	BHAA	
c1ccc2c(c1)CSCCCSC2	393102	DMFMYCCQCSQPRQ-UHFFFAOYSA-N	210.367	3.557	0	50	BHAA	
Cc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1C	6741410	KSESQSSVBSPILU-CYBMUJFWSA-N	245.366	3.671	0	50	BHAA	
Cc1cc(C)c(-c2cc(CN)ccc2F)c(C)c1	38072300	BWXGSKSMHPQYPV-UHFFFAOYSA-N	243.325	3.877	0	50	BHAA	
CCc1ccccc1OCCCCN1CCCC1	2932104	IFGOXKISHLDSOC-UHFFFAOYSA-N	247.382	3.504	0	50	BHAA	
COc1ccc(C)cc1[C@@H]1Cc2ccccc2N1	3715056	YTDJTCJLYRWFDY-HNNXBMFYSA-N	239.318	3.713	0	50	BHAA	
Cc1ccccc1NC(=O)c1ccc(Cl)cc1	4583001	ISNRJGRQYPRTGD-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CCOc1ccc(NC(=O)CC2CCCC2)cc1	8723344	RQASMYBPJLCDQP-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
O=C(O)c1cc2cccc(C(F)(F)F)c2s1	8730036	ZAKLURALPFCOEH-UHFFFAOYSA-N	246.209	3.618	0	50	BHAA	
Fc1ccc(-c2cc(Cl)nc(Cl)n2)cc1	35976425	QQLFWYQWFPLRRS-UHFFFAOYSA-N	243.068	3.590	0	50	BHAA	
Cc1ccc(Cl)c(C)c1Br	66318856	SYJGOCCALRWSID-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	
Cc1ccc2ncnc(NCc3ccccc3)c2c1	122881	JDEXMRVGHLTXCV-UHFFFAOYSA-N	249.317	3.550	0	50	BHAA	
Cc1ccc(C[n+]2csc3ccccc32)cc1	404878	ZAOGXMLEZJCZBM-UHFFFAOYSA-N	240.351	3.546	0	50	BHAA	
CCC(CC)C(=O)Nc1c(C)cc(C)cc1C	453063	RGBQRKNJTAFGIG-UHFFFAOYSA-N	233.355	3.987	0	50	BHAA	
Cc1noc(C)c1-c1onc2ccc(Cl)cc12	1865665	QWKSSDZTONOIFP-UHFFFAOYSA-N	248.669	3.753	0	50	BHAA	
Cc1ccc([C@@]2(C)CCC(C)(C)O2)cc1	3132279	ZWDJFILLTDNMRT-CQSZACIVSA-N	204.313	3.799	0	50	BHAA	biogenic
CC(C)=CCC[C@H](C)C[C@@H]1OC[C@H](C)O1	4991101	LSKGUOZAKOLOMT-RWMBFGLXSA-N	212.333	3.520	0	50	BHAA	
O=C(c1ccc(F)cc1)c1ccc(Cl)cc1	11631598	YGROSAOZMCLHSW-UHFFFAOYSA-N	234.657	3.710	0	50	BHAA	in-vitro
C[C@H](c1cccc(-c2ncccc2F)c1)N(C)C	65395456	RZXABPBHWNCKSN-LLVKDONJSA-N	244.313	3.510	0	50	BHAA	
CO[C@@H](C)c1ccc(-c2nccn2C(C)C)cc1	426567142	SZLMELQHOZWSTL-LBPRGKRZSA-N	244.338	3.838	0	50	BHAA	
Cc1ccccc1-c1nc(-c2ccccc2)no1	2884590	CNFNYMJKZCZPAZ-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
CC(C)(C)NCCOc1ccc(C(C)(C)C)cc1	2931733	XKJUSWCLEMFPKN-UHFFFAOYSA-N	249.398	3.751	0	50	BHAA	
COc1ccccc1SCCC(F)(F)F	95147721	XNGYCKHFOSTFQO-UHFFFAOYSA-N	236.258	3.740	0	50	BHAA	
Oc1ccc(CN2CCC[C@H]3CCCC[C@H]32)cc1	215960672	LPZZGKAOEYRCGK-GDBMZVCRSA-N	245.366	3.547	0	50	BHAA	
C[C@@H](c1cccc(-c2cncnc2)c1)C(F)F	2325776400	HMRWHLSAZGVEJN-VIFPVBQESA-N	234.249	3.512	0	50	BHAA	
Cc1cccc(NC(=O)C2CCCCC2)c1C	362830	LPNFDUVDABVLLU-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	3866442	JMBDVVUBXKXCIU-UHFFFAOYSA-N	227.351	3.737	0	50	BHAA	in-vitro
CCOc1cc(Cl)cc(Br)c1	261494371	VWEFXVNMBQJMKR-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	
Cc1cc(C)nc(Nc2cccc3ccccc23)n1	128701	ZMLYTRIRFMMEHB-UHFFFAOYSA-N	249.317	3.990	0	50	BHAA	
Cc1ccc(NC(=O)Cc2cccs2)cc1C	348209	ZTSMTDXVTKATLX-UHFFFAOYSA-N	245.347	3.546	0	50	BHAA	
Oc1ccc(-c2ccc(F)c(Cl)c2)cc1	13840602	JIHMKTVYWHTJCD-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	in-vitro
Clc1ccc(Oc2ccc(Cl)nn2)cc1	34433972	BNBHIQSRSKWRQV-UHFFFAOYSA-N	241.077	3.576	0	50	BHAA	
COc1ccc(-c2cc(F)cc(Cl)c2)cn1	95495958	PDBLKOSFVAGYHB-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	in-vitro
Cc1nc(CSc2ccoc2C)cs1	131445284	AXUBUMITZUGWOE-UHFFFAOYSA-N	225.338	3.645	0	50	BHAA	
CC1=C[C@H](C)[C@H]([C@H]2OCCC(C)(C)O2)[C@H](C)C1	239439003	ZHVHUBJXGPXMRZ-CRWXNKLISA-N	238.371	3.766	0	50	BHAA	
C(=C/C1CCCCC1)\c1nc[nH]c2nccc1-2	426382879	GQMGZYZPJIJNAC-VOTSOKGWSA-N	227.311	3.503	0	50	BHAA	
O=C(Oc1ccccc1)c1cc2ccccc2o1	150301	YDASRWNMSAYZDV-UHFFFAOYSA-N	238.242	3.652	0	50	BHAA	
CC(=O)c1cc(-c2ccccc2)c(N(C)C)s1	1395831	SPQOCIZXWDOUJX-UHFFFAOYSA-N	245.347	3.684	0	50	BHAA	
Cc1cc(C)c(C[C@@H]2CCCCCN2)cc1C	4234909	VZUGKOUHTLHTRU-INIZCTEOSA-N	231.383	3.687	0	50	BHAA	in-vitro
CC(=O)c1cc(Cl)c(Cl)cc1Cl	5438668	OPPQOJRXXODMKR-UHFFFAOYSA-N	223.486	3.849	0	50	BHAA	
Cc1ccc2c(c1)CCc1ccccc1N2	140266898	MZGFIMXZFCKYNR-UHFFFAOYSA-N	209.292	3.837	0	50	BHAA	
CC(=O)c1ccc(Oc2ccccc2)cc1	261810	DJNIFZYQFLFGDT-UHFFFAOYSA-N	212.248	3.682	0	50	BHAA	biogenic,in-vitro
COc1ccc(/C=C/c2ccccc2)cc1	1054440	XWYXLYCDZKRCAD-BQYQJAHWSA-N	210.276	3.866	0	50	BHAA	in-vitro
Fc1cccc(C(Cl)(Cl)Cl)c1	1847460	JRTYPYSADXRJBQ-UHFFFAOYSA-N	213.466	3.652	0	50	BHAA	
Cc1cccc(-c2nc(-c3cccs3)no2)c1	6704017	DAKCBWXMRPWOPJ-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
CC1=CC[C@H]2CO[C@H](c3ccccc3)[C@H]1C2	139322918	MVDWUXFRXDBWTK-VHDGCEQUSA-N	214.308	3.730	0	50	BHAA	
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](C)C1	675076812	REFJMRGPDFDYNZ-RKDXNWHRSA-N	217.287	3.993	0	50	BHAA	
Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1	123010	XJHAVALWFPKQEE-UHFFFAOYSA-N	244.681	3.730	0	50	BHAA	
CCOc1ccccc1NCc1ccccc1	2522796	VCFBFZSSLLVLIS-UHFFFAOYSA-N	227.307	3.697	0	50	BHAA	in-vitro
Cc1ccccc1-c1noc(-c2ccccc2)n1	85999902	UPWQKWQWFBYGFM-UHFFFAOYSA-N	236.274	3.712	0	50	BHAA	
Cc1ccccc1[C@H](N)[C@@H]1CCC[C@@H](C)C1	169616660	FOGSJWPUWBXGDC-UXIGCNINSA-N	217.356	3.821	0	50	BHAA	in-vitro
Cc1nc(-c2cscc2C)cc(C(C)C)n1	426707350	FDUCIACUXCOWNC-UHFFFAOYSA-N	232.352	3.945	0	50	BHAA	
c1cc(-c2cccc3[nH]ncc23)c2ccncc2c1	1240313887	ZTVVHLOMONOLEE-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
CCC[C@@H]1C[C@H](c2csc(C)n2)CCO1	295476	FNRAFLQGZOWCQJ-GHMZBOCLSA-N	225.357	3.514	0	50	BHAA	
CCC[C@H](C)Oc1nc2ccccc2s1	405648	XMIAAPBFEALTIX-VIFPVBQESA-N	221.325	3.864	0	50	BHAA	
O=C1C[C@H]2CCCC[C@H]2c2ccccc21	1564629	KIZNQTIYWIVDBA-GHMZBOCLSA-N	200.281	3.547	0	50	BHAA	
CC[C@@H](c1ccccc1)[C@@H]1CCCCCN1	3734977	QOWDVQDTBKFJGC-GJZGRUSLSA-N	217.356	3.712	0	50	BHAA	in-vitro
Cc1ccc([C@H](C)NC(=O)CC(C)(C)C)cc1C	6726841	AJVPBWYDNIBHEH-ZDUSSCGKSA-N	247.382	3.917	0	50	BHAA	
CO[C@]12[C@H]3CC[C@@H](C3)[C@@H]1[C@H]1C[C@H]2c2ccccc21	247956482	OKRGLLBHEZGBNW-RPJNGELWSA-N	240.346	3.702	0	50	BHAA	
O=C(O)c1cc2c(-c3ccoc3)cccc2s1	1875387996	IQRQYPCWRXNJRS-UHFFFAOYSA-N	244.271	3.860	0	50	BHAA	
Cc1ccc(C)c(C(=O)c2ccccc2)c1	1631195	PJCBRWRFLHBSNH-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	in-vitro
CCN(CC)CCCCOc1cc(C)ccc1C	2895251	ZRDXONHOWRNZKU-UHFFFAOYSA-N	249.398	3.804	0	50	BHAA	
CCCCC(=O)Nc1ccccc1C(F)(F)F	2969371	JIHXNIPQSMUYQP-UHFFFAOYSA-N	245.244	3.834	0	50	BHAA	
O=C([C@@H]1CC12CCCCC2)N1CCCC12CCC2	335338941	KCNSPHFWWOIMEA-ZDUSSCGKSA-N	247.382	3.502	0	50	BHAA	
CC(C)CNC(=O)Nc1ccc(C(C)C)cc1	392879	JYXZLQKDKDHNAA-UHFFFAOYSA-N	234.343	3.588	0	50	BHAA	
O=C(Nc1ccc(F)cc1)OC1CCCCC1	395203	HDSBCWGBZXHVMH-UHFFFAOYSA-N	237.274	3.707	0	50	BHAA	
C[C@@H](C(=O)O)c1cccc(Oc2ccccc2)c1	402909	RDJGLLICXDHJDY-LLVKDONJSA-N	242.274	3.667	0	50	BHAA	biogenic,fda
Nc1c(Cl)cc(Cl)cc1C(F)(F)F	1081499	OCJPQZFOBGQYEA-UHFFFAOYSA-N	230.016	3.594	0	50	BHAA	in-vitro
Cc1ccc(Oc2cccc(C=O)c2)cc1	2242719	ASKLCRGXIJGVOY-UHFFFAOYSA-N	212.248	3.600	0	50	BHAA	
CC(C)c1ccccc1C(=O)C(F)(F)F	2378552	NSOWLQXBTNMKCN-UHFFFAOYSA-N	216.202	3.555	0	50	BHAA	
Cc1cc(OCCN2CCCC2)cc(C(C)C)c1	4845293	FWYHGNSUYCGAQM-UHFFFAOYSA-N	247.382	3.593	0	50	BHAA	
O=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1	22010831	OZJSQVKDKOOQIT-UHFFFAOYSA-N	243.306	3.914	0	50	BHAA	in-vitro
CC(C)c1cccc(C(C)C)c1NC=O	38843529	HGCULERWAGEILG-UHFFFAOYSA-N	205.301	3.502	0	50	BHAA	
CC[C@H](C)N(CC=C(C)C)Cc1ccncc1	71589587	YCBMAZWMMKPOBG-AWEZNQCLSA-N	232.371	3.648	0	50	BHAA	
Cc1cc(C=O)ccc1-c1cc(F)ccc1F	161630338	RCFPAGMPFAFSOB-UHFFFAOYSA-N	232.229	3.753	0	50	BHAA	
CS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C)o2)C1	195541118	QVTMFWVSLCTHDI-SDDRHHMPSA-N	239.384	3.523	0	50	BHAA	
CC[C@H](O)CC[C@]1(C)CC[C@H](C)C[C@H]1C	245312880	YKHBDWNQEULVTF-CRWXNKLISA-N	212.377	4.000	0	50	BHAA	
c1ccc2c(c1)[C@H]1CC[C@H]2N1c1nccs1	892636614	FJNJTINMOLPDET-VXGBXAGGSA-N	228.320	3.539	0	50	BHAA	
Oc1ccccc1-c1nc2ccccc2s1	235985	MVVGSPCXHRFDDR-UHFFFAOYSA-N	227.288	3.669	0	50	BHAA	in-vitro
Cc1cc(Cl)c(Br)cc1C	1689970	HHRBCSGJXSSZOH-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	in-vitro
CCOC(=O)c1ccccc1-c1ccccc1	2567513	MWQIUPALMQMOSD-UHFFFAOYSA-N	226.275	3.530	0	50	BHAA	
CC1(C)[C@H]2CC[C@]1(C)c1n[nH]c(C(F)(F)F)c12	8996161	SZNUQBWBVBCZCE-UPONEAKYSA-N	244.260	3.603	0	50	BHAA	
Cc1cc(Cl)cc2c(Cl)ccnc12	32099385	UQFDVOVNYBYJJY-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
O[C@@H]1Cc2cc(Cl)ccc2Oc2ccccc21	214478678	BOBLKKDSKFFQDH-GFCCVEGCSA-N	246.693	3.722	0	50	BHAA	
CC[C@H]1CCC(=O)C[C@@H]1SC(C)(C)C	725363110	XZZPKMFIYRWNDK-ONGXEEELSA-N	214.374	3.666	0	50	BHAA	
Fc1ccc(-c2cnc3cc(F)ccc3c2)nc1	1241807754	JPYSCDJILOBHTH-UHFFFAOYSA-N	242.228	3.575	0	50	BHAA	
Brc1cccc2ccccc12	1693600	DLKQHBOKULLWDQ-UHFFFAOYSA-N	207.070	3.602	0	50	BHAA	in-vitro
CC[C@H](O)CC[C@@]1(C)CCC(C)=C[C@H]1C	2144927	SUQHUQJFQPNSCG-HZSPNIEDSA-N	210.361	3.920	0	50	BHAA	biogenic
CCCC[C@H](CC)CNC(=O)c1cccs1	2773008	SCXLTPDPNIQTIU-NSHDSACASA-N	239.384	3.694	0	50	BHAA	
COC(=O)c1cc(C(C)C)cc(C(C)C)c1	37593974	KMVYMCVCCGFYOC-UHFFFAOYSA-N	220.312	3.720	0	50	BHAA	
C[C@@H]1[C@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@@H](O)C2)C1(C)C	100152139	BWVZAZPLUTUBKD-QAUDVVSPSA-N	236.399	3.856	0	50	BHAA	endogenous,in-man
CCCC[C@H]1CCC[C@H]1Nc1cc(C)ncn1	170624870	TWPDQADNWLYPSX-QWHCGFSZSA-N	233.359	3.556	0	50	BHAA	
CC(C)S[C@@H]1CC(=O)CC[C@H]1C(C)(C)C	725362212	QPILUKTVQVLRPX-VXGBXAGGSA-N	228.401	3.912	0	50	BHAA	
CC(C)=CCC[C@H](C)CCOC(=O)C(C)C	1851038	ZGPPERKMXSGYRK-ZDUSSCGKSA-N	226.360	3.958	0	50	BHAA	endogenous,in-man
O=Cc1nc(-c2ccc3ccccc3c2)cs1	2582746	WSHIFWGDBKTJFQ-UHFFFAOYSA-N	239.299	3.776	0	50	BHAA	
CSc1ccc([C@H](O)c2cccc(C)c2)cc1	4268968	VMJVDULPFXXOPK-HNNXBMFYSA-N	244.359	3.799	0	50	BHAA	
CC(=O)c1ccc(OCCc2ccccc2)cc1	19806287	WKAZTGOEVXZSBE-UHFFFAOYSA-N	240.302	3.511	0	50	BHAA	
C/C=C/C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	43763333	DNVICYQGCINFSQ-XDQHSUTASA-N	224.344	3.567	0	50	BHAA	
Fc1ccc(C(F)F)c(Br)c1	63926200	WAJOYKZVIXCVTR-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
Clc1ccc(Cl)c(Br)c1	394302	OVXVQBCRONSPDC-UHFFFAOYSA-N	225.900	3.756	0	50	BHAA	
Cc1ccc(Br)cc1Br	1724749	GHWYNNFPUGEYEM-UHFFFAOYSA-N	249.933	3.520	0	50	BHAA	
CC(C)=CCC/C(C)=C/COC(=O)C(C)C	1850861	OGJYXQFXLSCKTP-UKTHLTGXSA-N	224.344	3.878	0	50	BHAA	
CC(=O)c1cc(C(F)(F)F)ccc1Cl	4280832	YRGBMTWHOFQSDJ-UHFFFAOYSA-N	222.593	3.561	0	50	BHAA	in-vitro
O=C1CCC(C23CC4CC(CC(C4)C2)C3)CC1	5480290	IHODPAPVXPRSCJ-UHFFFAOYSA-N	232.367	3.962	0	50	BHAA	
CCCNc1cccc(C(F)(F)F)c1	19905286	QBTKCLQCPGRXNQ-UHFFFAOYSA-N	203.207	3.527	0	50	BHAA	
Clc1cccc(Nc2ccnc(Cl)n2)c1	40448067	CHNMIOTYEQOALT-UHFFFAOYSA-N	240.093	3.527	0	50	BHAA	
C[C@H](c1ccc(Br)cc1)C(F)F	390822102	DLPLVQQHJFPQDA-ZCFIWIBFSA-N	235.071	3.818	0	50	BHAA	
Cc1ccc(CSc2ccccc2N)cc1	5740318	MVJABYMVHVSANO-UHFFFAOYSA-N	229.348	3.870	0	50	BHAA	in-vitro
Cc1cc(C)c(C(=O)c2ccccc2)cc1C	34406703	FTPZYWUJDVZEIE-UHFFFAOYSA-N	224.303	3.843	0	50	BHAA	
Cc1cnc(C)c(-c2cccc(OC(C)C)c2)n1	67895615	NCVCBENOYSJILD-UHFFFAOYSA-N	242.322	3.548	0	50	BHAA	
Cc1cccc(C2=C(c3ccccc3)CCNC2)c1	96027628	OLTKKMFUZJWUBK-UHFFFAOYSA-N	249.357	3.899	0	50	BHAA	
CC(C)(C)c1ccc(OC(=O)c2ccco2)cc1	55207	XHNFPLUNQZDHIA-UHFFFAOYSA-N	244.290	3.796	0	50	BHAA	
CN[C@@]1(c2ccccc2)[C@H]2CC[C@@H](C2)C1(C)C	216002307	MBNREHLXPVRRJY-DZKIICNBSA-N	229.367	3.557	0	50	BHAA	
COc1c(Cl)cc(Cl)cc1OC(C)C	261493535	DAPKKUOJKXUUEJ-UHFFFAOYSA-N	235.110	3.789	0	50	BHAA	
O=Cc1cccc(-c2cc(F)ccc2F)c1F	394923973	AMXNNAUVWJHNPW-UHFFFAOYSA-N	236.192	3.583	0	50	BHAA	
Cc1cnc(C)c(-c2ccccc2OC(C)C)n1	426571628	PMKQFKVLQBJRHQ-UHFFFAOYSA-N	242.322	3.548	0	50	BHAA	
CC(C)C(=O)c1ccc(-c2ccncc2F)s1	426668937	CYPKNWGIZBQIJK-UHFFFAOYSA-N	249.310	3.788	0	50	BHAA	
Cc1cc(F)c(N)c2c1C(C)(C)C[C@@H]2C	669374669	MVXDEPQIAYWASF-QMMMGPOBSA-N	207.292	3.501	0	50	BHAA	
CCc1cnc(C)nc1N[C@H](C)c1ccsc1	1529177734	FIGQUKNAYJASHJ-SECBINFHSA-N	247.367	3.582	0	50	BHAA	
NCCc1c[nH]c2ccc(C3CCCCC3)cc12	77296	RJUVCCRVXSXQIK-UHFFFAOYSA-N	242.366	3.717	0	50	BHAA	
CC(C)NC(=O)Nc1ccc(Cl)cc1Cl	396487	YFENGXVMDKMRMP-UHFFFAOYSA-N	247.125	3.523	0	50	BHAA	
Cc1cc(C)c(NC(=O)NC2CCCC2)cc1C	399278	KQICMUHQTHYONQ-UHFFFAOYSA-N	246.354	3.676	0	50	BHAA	
O=C(c1ccccc1)c1nc2ccccc2s1	400067	HCIZWCSGIMQTDC-UHFFFAOYSA-N	239.299	3.527	0	50	BHAA	
CCCCOc1ccc2ccccc2c1C=O	2999943	IIBSJUNEKLZMST-UHFFFAOYSA-N	228.291	3.831	0	50	BHAA	in-vitro
Cc1cc2ccccc2n1C(=O)OC(C)(C)C	45895558	CMVPIVAWAQZQKP-UHFFFAOYSA-N	231.295	3.733	0	50	BHAA	
CCCc1cnc(-c2cc(F)ccc2C)nc1	67885884	PMTKRXWBUSQWKT-UHFFFAOYSA-N	230.286	3.544	0	50	BHAA	
CC[C@H](C)NC(=O)Nc1ccc(C(C)C)cc1	392881	TYFQTQSXAHXBLL-NSHDSACASA-N	234.343	3.730	0	50	BHAA	
c1cc2c3c(c1)CCc1cccc(c1N3)CC2	3131431	WRSOENDUOWTZCW-UHFFFAOYSA-N	221.303	3.627	0	50	BHAA	
CC[C@@H](CC(=O)O)c1ccc(CC(C)C)cc1	36140357	ANCNWCSUQJUYNG-ZDUSSCGKSA-N	234.339	3.853	0	50	BHAA	
CCOC(=O)c1cccc(Oc2ccccc2)c1	44200242	LBKYKBFMRILRCT-UHFFFAOYSA-N	242.274	3.656	0	50	BHAA	
Nc1cc(Cl)cc(OCc2ccccc2)c1	82048358	UXNQKFKPKHSVRW-UHFFFAOYSA-N	233.698	3.501	0	50	BHAA	in-vitro
CC(C)OCc1cc(F)ccc1Br	230651941	YIAWMCYBOIIBIQ-UHFFFAOYSA-N	247.107	3.513	0	50	BHAA	
O=C(O)c1ccc(-c2ccccc2Cl)cc1	2574060	AOTYKBXXCYCXRZ-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	in-vitro
CC(C)(C)C[C@](C)(C(=O)O)C(C)(C)C	5434509	CRLCLCBFULTTTR-GFCCVEGCSA-N	200.322	3.560	0	50	BHAA	
CC(=O)c1ccc(Nc2ccccc2)cc1	21999250	RMKSGKAEMOQBMP-UHFFFAOYSA-N	211.264	3.633	0	50	BHAA	
CCn1ccc(-c2cccc(-c3ccccn3)c2)n1	23380326	CZDKUTRUMNZZNE-UHFFFAOYSA-N	249.317	3.632	0	50	BHAA	
Cc1cccnc1SCc1ccccc1	34336892	MMQNPBDWOQCQQX-UHFFFAOYSA-N	215.321	3.682	0	50	BHAA	
CCCC[C@@H](CC)COC(=O)c1ccc(N)cc1	41067444	ZJQXUTDROPGVLH-GFCCVEGCSA-N	249.354	3.642	0	50	BHAA	
CNc1cccc(-c2ccnc(C(F)F)c2)c1	725273634	RCWQHQYWDQAMJV-UHFFFAOYSA-N	234.249	3.728	0	50	BHAA	
COc1ccc(-c2sc(C)nc2C)cc1F	1529095661	SDGDKIXOLZQCSW-UHFFFAOYSA-N	237.299	3.575	0	50	BHAA	
c1ccc(-c2ccc(-c3cc[nH]n3)cc2)cc1	5588802	DSMVTVVOTMNIHE-UHFFFAOYSA-N	220.275	3.744	0	50	BHAA	in-vitro
c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1	5772967	ODOQKWUKLACHRO-UHFFFAOYSA-N	222.291	3.523	0	50	BHAA	in-vitro
Fc1cc(C(F)(F)F)cc(F)c1Cl	67800058	DBXGGVURUQFFGT-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
Cc1ccc2c(C)cc(-c3cncnc3)nc2c1C	97413229	XASQQAWIYMGGDC-UHFFFAOYSA-N	249.317	3.617	0	50	BHAA	
CCc1c(Cl)cccc1Br	141474574	RHQXANFHLBLUCK-UHFFFAOYSA-N	219.509	3.665	0	50	BHAA	
Cc1ccc(NC(=O)C2CCCCC2)cc1	392383	CAKLGRXELZTXPH-UHFFFAOYSA-N	217.312	3.514	0	50	BHAA	
c1cc([C@@H]2CC[C@@H](c3ccncc3)C2)ccn1	8701037	HAFLCZNYGBYLEE-HUUCEWRRSA-N	224.307	3.528	0	50	BHAA	
Fc1c(S)ccc(Br)c1Cl	36532745	XXVQQTAHVAUOEW-UHFFFAOYSA-N	241.512	3.530	0	50	BHAA	
Oc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1	36646399	VRPBVUFMDQCJPB-UHFFFAOYSA-N	244.334	3.740	0	50	BHAA	
O=Cc1cc(Cl)ccc1C#Cc1ccccc1	145738086	HXSGNDDPFCKTOS-UHFFFAOYSA-N	240.689	3.552	0	50	BHAA	
CCOc1ccc(Sc2ccccc2)cn1	252480142	BWRMXDBZCUWQQN-UHFFFAOYSA-N	231.320	3.632	0	50	BHAA	
CC(C)(C)N1Sc2ccccc2NC1=S	69860	BKHJLCGPCZERSM-UHFFFAOYSA-N	238.381	3.505	0	50	BHAA	
Cc1cc2nc(-c3cccc(N)c3)oc2cc1C	122990	GDDNDJMBEZZKGO-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
CC(C)=CC(=O)Nc1cc(Cl)ccc1C	145672	JBSNRMYAXLQMTJ-UHFFFAOYSA-N	223.703	3.553	0	50	BHAA	
COc1ccc(-c2ccc(C(C)=O)s2)cc1	480888	LRUBIGCXVSIWPI-UHFFFAOYSA-N	232.304	3.626	0	50	BHAA	
O=Cc1ccccc1-c1ccccc1Cl	1256787	VNKJIEIGSAHDGE-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	in-vitro
C[C@H](CC(=O)C(C)(C)C)c1ccccc1	3136973	UVIHTFNCDHMOPY-LLVKDONJSA-N	204.313	3.795	0	50	BHAA	
CCc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1	4243649	HFUCMTJDRCHLKY-UHFFFAOYSA-N	240.228	3.658	0	50	BHAA	
Cc1ccccc1-c1nc2ccccc2n1C	40239442	BBDQMNLQOMQPNJ-UHFFFAOYSA-N	222.291	3.549	0	50	BHAA	
Cc1ccc2c3c(ccc2c1)CCCC3=O	45027569	CMEFBLNTFDOYFF-UHFFFAOYSA-N	210.276	3.667	0	50	BHAA	
CNC[C@H](CCc1ccccc1)c1ccccc1	87962275	MLYVHOUEXDMKBE-KRWDZBQOSA-N	239.362	3.622	0	50	BHAA	
C[C@H]1Cc2c([nH]c3c(F)cccc23)[C@H](C)C1	675075986	HPJHDFIPNWOJQW-RKDXNWHRSA-N	217.287	3.993	0	50	BHAA	
COc1ccc(C)cc1-c1cnc(C(C)(C)C)[nH]1	1506416474	BQLSXWFYJPEAEV-UHFFFAOYSA-N	244.338	3.691	0	50	BHAA	
Cc1ccccc1C(=O)Nc1cccc(C)c1C	372239	VTRJOQZIBDZXDB-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Oc1ccc(-c2ccccc2)cc1Cl	394685	BZWMYDJJDBFAPE-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	biogenic
c1ccc(-c2ccc(CNC3CCCC3)o2)cc1	4842301	ZNCDKLSESLDMBO-UHFFFAOYSA-N	241.334	3.979	0	50	BHAA	
Cc1ccc(F)c(NC(=O)c2ccccc2F)c1	4868794	RFDYHSGDVKFGOX-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC[C@@H]1CCCCN1Cc1c(F)cccc1F	4996368	HWIGOOOMPYTLQZ-LLVKDONJSA-N	239.309	3.729	0	50	BHAA	
Cc1ccccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1	6726381	KKIIUZKPXVUAFW-RYUDHWBXSA-N	246.354	3.505	0	50	BHAA	
O=C1CCCCC[C@H]1c1ccccc1Cl	44126064	UKNJBPMTSDGPBJ-NSHDSACASA-N	222.715	3.957	0	50	BHAA	
CC(C)c1nccn1CCc1ccccc1Cl	67910140	CGLWCMZXEPVLBV-UHFFFAOYSA-N	248.757	3.903	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	257357693	PLKZREXNHMCRGP-UFTFSBDFSA-N	244.378	3.674	0	50	BHAA	
Cc1ccc(-c2cc(=O)c3ccccc3o2)cc1	57876	OPHKKQQCOYMLPW-UHFFFAOYSA-N	236.270	3.768	0	50	BHAA	biogenic,in-vivo
O=C(O)/C=C/c1ccc(-c2ccccc2Cl)o1	134348	IZITWMKBFNBYRN-SOFGYWHQSA-N	248.665	3.698	0	50	BHAA	
COc1cccc(/C=C/c2ccc(O)cc2)c1	1650059	ZVJLZUWCAUTTBS-AATRIKPKSA-N	226.275	3.571	0	50	BHAA	in-vitro
CCN(C1CCCCC1)C1CCCCC1	1755885	XRKQMIFKHDXFNQ-UHFFFAOYSA-N	209.377	3.974	0	50	BHAA	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1N=O	4404332	CQKAHSKMAYCWHX-UHFFFAOYSA-N	235.674	3.540	0	50	BHAA	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C)C2)C1	144781499	FBBSSGDEXCODGU-SYQHCUMBSA-N	209.377	3.733	0	50	BHAA	in-vitro
C[C@@H]1CCC[C@H](CNC(=O)CCC(C)(C)C)C1	170634185	FXSBJSNJBZWHLV-OLZOCXBDSA-N	239.403	3.755	0	50	BHAA	
Nc1ccc(SCc2ccc(F)cc2)cc1	153684	BWAMEPIGBSGVCX-UHFFFAOYSA-N	233.311	3.700	0	50	BHAA	
COc1ccc(-c2cc3ccccc3[nH]2)cc1	217297	BHCBPEBRFMLOND-UHFFFAOYSA-N	223.275	3.844	0	50	BHAA	in-vitro
CCN(CC)C(=S)SCc1ccccc1	2556823	SNBMGLUIIGFNFE-UHFFFAOYSA-N	239.409	3.547	0	50	BHAA	in-vitro
CC(C)CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1	3159823	OZRKJNXJNJNGBS-TZMCWYRMSA-N	231.339	3.697	0	50	BHAA	
Clc1cccc2cnc(Br)cc12	66322876	ILNONYMTPPUBOV-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CCc1ccccc1-c1ccsc1C=O	669384888	LSGNYKNRHXHTEY-UHFFFAOYSA-N	216.305	3.790	0	50	BHAA	
CC(C)COC(=O)Oc1ccc(Cl)cc1	276816	SEKFJAYSWQQDNE-UHFFFAOYSA-N	228.675	3.511	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2F)c(C)c1	311719	IZZWDCJMZPWEFO-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CO[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCC2	758069	XIQGGVQGYZJNRM-HOTGVXAUSA-N	245.366	3.545	0	50	BHAA	biogenic
CCCCN(C)C(=O)Nc1ccccc1Cl	2161690	PRZTVJXKGDQHLD-UHFFFAOYSA-N	240.734	3.604	0	50	BHAA	
CCSC(=O)Nc1ccc(C)c(Cl)c1	2584464	PCXVSKLBAGHKHW-UHFFFAOYSA-N	229.732	3.933	0	50	BHAA	in-vitro
CC(=O)c1ccc(OCc2ccccc2)c(F)c1	3883846	YLVZBSLWHNSLNP-UHFFFAOYSA-N	244.265	3.607	0	50	BHAA	
CC(=O)c1ccc(C(F)(F)F)cc1Cl	34364937	ZZDCFXOSOMAPMD-UHFFFAOYSA-N	222.593	3.561	0	50	BHAA	in-vitro
CC1=CC=C[C@]23C=C[C@]12c1ccccc1CC3	71785968	IREUKXXUYXYFFS-DLBZAZTESA-N	220.315	3.943	0	50	BHAA	
CCC(=O)c1cc(CC)cc(C(C)(C)C)c1O	110161523	VGUULPWSYFUVJP-UHFFFAOYSA-N	234.339	3.845	0	50	BHAA	
C[Si](C)(C)C1([C@@H](O)C2CCCCC2)CC1	169829251	JLMAAXBMLDZIDL-LBPRGKRZSA-N	226.436	3.800	0	50	BHAA	
Cc1cc(CN2CCC3(CCCCCC3)C2)on1	368398898	VQFLFELUVFHUDV-UHFFFAOYSA-N	248.370	3.529	0	50	BHAA	
CCc1c(C)nc2ccc(OC)cc2c1Cl	184353	ZJYLCUAZZANAFR-UHFFFAOYSA-N	235.714	3.768	0	50	BHAA	
CC1(C)CCNc2cc(Br)ccc21	34433755	LHPIITJPRRZXEX-UHFFFAOYSA-N	240.144	3.542	0	50	BHAA	
CC[C@@H](c1cccnc1)N(C)Cc1ccccc1	65374633	YNLUUUIGLRCYQY-INIZCTEOSA-N	240.350	3.665	0	50	BHAA	
Cc1nc2cc(-c3ccncc3)ccc2s1	1239610588	PYXMCFKYYSAJKM-UHFFFAOYSA-N	226.304	3.667	0	50	BHAA	
O=C(CCCc1ccccc1)Nc1ccccc1	361987	UTROGRSPCLKGHV-UHFFFAOYSA-N	239.318	3.648	0	50	BHAA	
O=C(O)c1cccc2c1sc1ccccc12	399994	WHDBZUDFOQNASQ-UHFFFAOYSA-N	228.272	3.753	0	50	BHAA	
Cc1ccc(NC(=O)NC2CCCCC2)c(C)c1	441538	KOHHTUXCTXMWKY-UHFFFAOYSA-N	246.354	3.758	0	50	BHAA	aggregator
Cc1ccc(NC(=O)C2CCCC2)cc1Cl	474392	BHPRGDVDNSIHPV-UHFFFAOYSA-N	237.730	3.777	0	50	BHAA	
CNCc1ccc(-c2cccc(Cl)c2C)o1	4942922	NDWNNOATYQGSJE-UHFFFAOYSA-N	235.714	3.628	0	50	BHAA	
CC(C)(C)C1CCC(C(C)(C)C(=O)O)CC1	7023452	XICOROQJJSDVDH-UHFFFAOYSA-N	226.360	3.950	0	50	BHAA	
CCC[C@@H](C)c1nc2c(cnn2[C@H](C)C(C)C)[nH]1	48435843	VTMGZWVZVKQCDO-GHMZBOCLSA-N	248.374	3.880	0	50	BHAA	
Fc1ccc(C(F)(F)F)cc1C(F)F	77012037	UNTBPZRWGKUXOU-UHFFFAOYSA-N	214.108	3.782	0	50	BHAA	
c1cc(NC2CCCCCCC2)nc(C2CC2)n1	170624586	DGWYWAJGPKPDHB-UHFFFAOYSA-N	245.370	3.879	0	50	BHAA	
FC(F)(F)CCc1n[nH]c2cc(Cl)ccc12	261506716	AHVSUSNJEQIEDG-UHFFFAOYSA-N	248.635	3.711	0	50	BHAA	
CC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	126233	QQZQVFOVCGLRFI-LLVKDONJSA-N	233.355	3.512	0	50	BHAA	
CC1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1	462721	NGXIVBILMHZPHX-OWYJLGKBSA-N	245.366	3.690	0	50	BHAA	
COc1ccc(-c2ccc3ccccc3n2)cc1	1395177	NXYDIDCWFYLWKZ-UHFFFAOYSA-N	235.286	3.910	0	50	BHAA	
Cc1ccc([C@H]2CCCCCN2)c(C)c1	3735007	JGZVFMUVNYTNOG-CQSZACIVSA-N	203.329	3.508	0	50	BHAA	in-vitro
O=C(Nc1ccc(F)cc1)Nc1ccccc1F	4539203	RENAWGQIHCWXQF-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CC(C)C[C@@H](NC(=O)C(C)C)c1ccccc1	39975779	ABVODGJPFHVSJQ-CQSZACIVSA-N	233.355	3.546	0	50	BHAA	
Fc1ccc(C(F)(F)F)c(Cl)c1F	83351215	TVHKVPRZJMODNX-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
CC1(C)CC[C@H](C(=O)O)[C@H](c2ccccc2)C1	127750191	CNJNOTDRZQGNMD-STQMWFEESA-N	232.323	3.681	0	50	BHAA	
CC[C@@H](NC)c1cc(Cl)cc(Cl)c1	168856387	OQQUGBIOHFRBTF-SNVBAGLBSA-N	218.127	3.664	0	50	BHAA	
CSc1nccc(-c2ccc(Cl)cc2)n1	149764	GOXDPARPMAHJSL-UHFFFAOYSA-N	236.727	3.519	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1	373140	JNZNFNHBZNQYPT-SECBINFHSA-N	225.719	3.715	0	50	BHAA	
CC(C)c1ccc(OCCCN2CCCC2)cc1	2486293	WMIOZVQQYXWXRB-UHFFFAOYSA-N	247.382	3.675	0	50	BHAA	
Clc1nc(Cl)c2cccc(Cl)c2n1	26894465	XSZZHOALJUVOIG-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	
C[C@H](O)c1ccc(-c2cnc3ccccc3c2)cc1	65373145	XILINCRTLWFEBS-LBPRGKRZSA-N	249.313	3.955	0	50	BHAA	
C=CC(=O)N[C@H](C)c1sc2ccccc2c1C	1875366622	AYBVBDXYEAVTEE-SNVBAGLBSA-N	245.347	3.573	0	50	BHAA	
CCCSC(=O)Nc1cccc(C)c1	2166556	MECWDZSQJNDBKN-UHFFFAOYSA-N	209.314	3.670	0	50	BHAA	
C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](O)C1	2539581	WTQIZFCJMGWUGZ-BPLDGKMQSA-N	232.367	3.761	0	50	BHAA	biogenic,in-vitro
Cc1ccc(-c2noc3cc(O)ccc23)cc1	32501410	AZZHXXUMTJTBSW-UHFFFAOYSA-N	225.247	3.509	0	50	BHAA	
CC(C)(C)c1ccc2oc(Cl)nc2c1	33420152	DSJHZFICMUDISP-UHFFFAOYSA-N	209.676	3.779	0	50	BHAA	in-vitro
Fc1cc(C(F)F)ccc1C(F)(F)F	77012033	SZGWOCJKDODZDV-UHFFFAOYSA-N	214.108	3.782	0	50	BHAA	
CSc1ccc(Oc2cc(N)cc(F)c2)cc1	157986904	MQHBUAJPYSONGA-UHFFFAOYSA-N	249.310	3.922	0	50	BHAA	
Cc1ccc(C(F)(F)F)c2c1NC[C@@H](C)C2	757066090	HODFWRPGEAHAHP-ZETCQYMHSA-N	229.245	3.618	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)c1cccc(F)c1	3158412	OYJHAOCCKZFZBK-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CSc1ccc([C@@H](O)c2cccc(F)c2)cc1	4255977	GDUKTRLMPKAIHC-CQSZACIVSA-N	248.322	3.629	0	50	BHAA	
Cc1cc(-c2ccccc2)c2ccc(O)cc2n1	6556559	KIIKDLHPUVATID-UHFFFAOYSA-N	235.286	3.916	0	50	BHAA	
Cc1c(Cl)cccc1NC(=O)C(C)(C)C	401782	YQVJHVGXBACZLU-UHFFFAOYSA-N	225.719	3.633	0	50	BHAA	
C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1	968305	YXKTVDFXDRQTKV-HNNXBMFYSA-N	239.362	3.750	0	50	BHAA	fda
CCc1cc(-c2ccc(N)c(CC)c2)ccc1N	2528044	VLZIZQRHZJOXDM-UHFFFAOYSA-N	240.350	3.643	0	50	BHAA	in-vitro
CCCCSCCCCCCC(=O)O	2545673	XOPBNOKPOZTIIV-UHFFFAOYSA-N	218.362	3.555	0	50	BHAA	
COc1ccc2oc3ccc(OC)cc3c2c1	4798821	YQDFIFFQSXMDIJ-UHFFFAOYSA-N	228.247	3.603	0	50	BHAA	
CCCCCCOP(=O)(OCC)OCC	4952299	HLQQMPGKASWZPH-UHFFFAOYSA-N	238.264	3.764	0	50	BHAA	in-vitro
C[C@H](Cc1ccsc1)n1ccnc1C1CC1	71777138	KXRWLZVFFWRICQ-SNVBAGLBSA-N	232.352	3.626	0	50	BHAA	
Fc1cc(C(F)F)ccc1Br	86005499	TVFLYOWMGULWTE-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
CCN(CC)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1	170620573	UQTSAPHDPNZMBU-CHWSQXEVSA-N	239.403	3.707	0	50	BHAA	
Cc1ccc(-c2cn(C(C)C)nc2C)cc1F	1506424792	LMMAUTTXKFVINA-UHFFFAOYSA-N	232.302	3.887	0	50	BHAA	
CC[C@H](C)NC(=O)Nc1ccc2ccccc2c1	284703	PLRMKBCOPMSENY-NSHDSACASA-N	242.322	3.760	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1)c1ccccc1F	290651	FUUFEKMEHNGYEO-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CO[C@@H]1CCCC[C@H]1Nc1cc(C)ccc1C	292723	UUDIMGZYVHTDFS-UKRRQHHQSA-N	233.355	3.673	0	50	BHAA	
CC1(C)CCC(C)(C)c2cc(O)ccc21	1701289	UZHCJGSIRIFQTO-UHFFFAOYSA-N	204.313	3.741	0	50	BHAA	in-vitro
CCCOC(=O)Nc1cc(Cl)ccc1Cl	2171677	FMFXUSVOHNTHAF-UHFFFAOYSA-N	248.109	3.952	0	50	BHAA	
O=C(SCc1ccccc1)N1CCCCC1	6096470	HBCKYUKLWYWJFX-UHFFFAOYSA-N	235.352	3.526	0	50	BHAA	
C[C@@H](N)CC(c1ccccc1)c1ccccc1	44410476	DJMZXBCLPVSJPI-CYBMUJFWSA-N	225.335	3.556	0	50	BHAA	
C[C@@H](c1ccc(Br)cc1)C(F)F	220038160	DLPLVQQHJFPQDA-LURJTMIESA-N	235.071	3.818	0	50	BHAA	
OCc1cc2ccc3ccccc3c2s1	39402239	HPYSRPMROPQUEF-UHFFFAOYSA-N	214.289	3.547	0	50	BHAA	
CO[C@H]1CCCC[C@@H]1Nc1ccc(C)c(C)c1	293211	CCKVKDWMBPBQII-GJZGRUSLSA-N	233.355	3.673	0	50	BHAA	
CCCN(CCC)C(=O)Nc1cc(C)ccc1C	397200	DDUJLZYAFVVBTM-UHFFFAOYSA-N	248.370	3.957	0	50	BHAA	
CCCCc1ccc(NC(=O)C=C(C)C)cc1	1912851	ZUOZQBYRLWVKNA-UHFFFAOYSA-N	231.339	3.934	0	50	BHAA	
Clc1ccc(Cl)c(-n2cccc2)c1	4237680	ZUGWGCAHKLRCJT-UHFFFAOYSA-N	212.079	3.784	0	50	BHAA	in-vitro
CCC[C@@H](C)c1nc2c(cnn2[C@@H](C)C(C)C)[nH]1	48435836	VTMGZWVZVKQCDO-MNOVXSKESA-N	248.374	3.880	0	50	BHAA	
CCCN(CCC)C(=O)Nc1ccc(C)cc1C	395257	MRQMPEAFTOYAQN-UHFFFAOYSA-N	248.370	3.957	0	50	BHAA	
Cc1ccccc1C(=O)N[C@@H](C)CCCC(C)C	4529125	RYPRDYWSSHHEEW-AWEZNQCLSA-N	247.382	3.940	0	50	BHAA	
Cc1ccccc1[C@@H]1CCCC[C@H]1N(C)C	96027171	JVJVUMAHCRTZHP-LSDHHAIUSA-N	217.356	3.583	0	50	BHAA	
O=[PH](Cc1ccccc1)Cc1ccccc1	150396059	ACLBAKCXXIZYJV-UHFFFAOYSA-N	230.247	3.947	0	50	BHAA	
COc1cccc(NC(=O)CC2CCCCC2)c1	316938	PWYHZFKQHKZFCP-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
CCc1cccc(C)c1NC(=O)OC(C)C	397324	PVTKAYZODQJEMC-UHFFFAOYSA-N	221.300	3.514	0	50	BHAA	
CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(C)c1	475685	LIDSGMXCIWGNIS-OAHLLOKOSA-N	245.366	3.708	0	50	BHAA	
CO[C@@H](C)OCC[C@@H](C)CCC=C(C)C	2166737	YSABATHBMSLQLP-QWHCGFSZSA-N	214.349	3.768	0	50	BHAA	
COc1ccccc1CCNC1CCCCCC1	4989197	KIOARZZPWIYGPF-UHFFFAOYSA-N	247.382	3.550	0	50	BHAA	
C[C@@H](NCc1ccccc1)c1ccccc1	12360036	ZYZHMSJNPCYUTB-CYBMUJFWSA-N	211.308	3.537	0	50	BHAA	
Cc1ccc2c(c1)c(C=O)cn2Cc1ccccc1	34925335	DIFBXYXXTBILIQ-UHFFFAOYSA-N	249.313	3.811	0	50	BHAA	
Cc1ccc2c(c1)/C(=C/C=C1C=CN(C)C=C1)C=N2	334157082	DGEOBTFQUSETAW-PJQLUOCWSA-N	248.329	3.994	0	50	BHAA	
Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)o1	2325870335	SVOWLPSAVIGYNC-SNVBAGLBSA-N	214.264	3.578	0	50	BHAA	
Cc1ccc(Nc2nnc(C)c3ccccc23)cc1	274084	LOQJEWNNKZEPOE-UHFFFAOYSA-N	249.317	3.990	0	50	BHAA	
Cc1cc(C)c2nc(Cl)cc(C)c2c1	323964	QELGNYILIXTHBQ-UHFFFAOYSA-N	205.688	3.813	0	50	BHAA	in-vitro
CSc1ccc(C(=O)C(C)(C)C)cc1	397120	IIGSIYYCFUYQMV-UHFFFAOYSA-N	208.326	3.637	0	50	BHAA	
Cc1cc(C)c(C)c(Br)c1C	1995246	WJKBPTLQJXKEHC-UHFFFAOYSA-N	213.118	3.683	0	50	BHAA	biogenic,in-vitro
Cc1ccc(C)c(-c2cccc(C(=O)O)c2)c1	32015175	ABYDLDPPTUIJHA-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
CCOc1ccc2cc(Cl)ccc2c1	118220524	LSDIWQBVRILPHV-UHFFFAOYSA-N	206.672	3.892	0	50	BHAA	
CC(=O)c1cc(C2CC2)c(Br)s1	1848351056	CBMZIPDSKNHUPZ-UHFFFAOYSA-N	245.141	3.591	0	50	BHAA	
Fc1ccccc1-c1nccn1[C@H]1C=CCC1	1875248669	FJGBZTMIOKVEDZ-NSHDSACASA-N	228.270	3.580	0	50	BHAA	
Cc1cccc(C)c1NC(=O)Cc1cccs1	30732	BUIQDNVOPZRDAT-UHFFFAOYSA-N	245.347	3.546	0	50	BHAA	
CCC(=O)c1ccc(Cl)cc1Cl	398902	FBMTWRZQBRHOPF-UHFFFAOYSA-N	203.068	3.586	0	50	BHAA	in-vitro
Cc1cccc(Br)c1C(F)(F)F	2382281	BGTQSQRDRWEFPU-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
c1ccc2c(c1)ncn2CC1CCCCC1	12360483	MGTHBVCCTSRPLZ-UHFFFAOYSA-N	214.312	3.617	0	50	BHAA	
Fc1ccc(Cl)c(Cl)c1OC(F)F	263623632	JEUONMKYWSBLOR-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1ccc(-c2cn3ccccc3n2)cc1C	151526	WZRSPCLHAIEWPU-UHFFFAOYSA-N	222.291	3.618	0	50	BHAA	in-vitro
Cc1ccccc1[C@@H](CCC(C)C)C(=O)O	394128	MNELGDYQFVCTGL-CYBMUJFWSA-N	220.312	3.599	0	50	BHAA	in-vitro
Cc1cc(C)c2c(Cl)cc(C)nc2c1	11757226	IQBVBMMNGRIPEI-UHFFFAOYSA-N	205.688	3.813	0	50	BHAA	in-vitro
Cc1nc2ccccc2n1Cc1ccccc1F	352866	XHKXABMRHACDPD-UHFFFAOYSA-N	240.281	3.532	0	50	BHAA	
Cc1cccc(NC(=O)N(C)C2CCCCC2)c1	395305	DQFCVUDHXIIUQI-UHFFFAOYSA-N	246.354	3.791	0	50	BHAA	
O=C(Nc1cccc(F)c1)Nc1cccc(F)c1	397537	BYAWSEIGDSOCFJ-UHFFFAOYSA-N	248.232	3.609	0	50	BHAA	
CO[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CCC2	758068	XIQGGVQGYZJNRM-HZPDHXFCSA-N	245.366	3.545	0	50	BHAA	biogenic
CC[C@@H](C)NCCOc1ccccc1[C@H](C)CC	2821946	QYSLGTNIVKGQRX-ZIAGYGMSSA-N	249.398	3.967	0	50	BHAA	
Brc1ccccc1[C@H]1C[C@@H]1C1CC1	117155457	JFEKQFAEQBOBIU-GHMZBOCLSA-N	237.140	3.963	0	50	BHAA	
Cc1cc2c(F)ccc(C)c2nc1Cl	157262	VHZSLPPYDBJXMQ-UHFFFAOYSA-N	209.651	3.644	0	50	BHAA	
Cc1ccc2c(Cl)c(C(=O)O)sc2c1	327857	KWGVHWHFCFSQAZ-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	in-vitro
CCN[C@@H](Cc1ccccc1)c1ccccc1	1665858	IGFZMQXEKIZPDR-INIZCTEOSA-N	225.335	3.580	0	50	BHAA	in-vitro
N[C@@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2	4343197	RKXNBHCKARUOTD-AIWVUANBSA-N	241.378	3.903	0	50	BHAA	
O=C(NCCC1=CCCCC1)C1CCCCC1	6760936	TVUVUIMVGIRQHS-UHFFFAOYSA-N	235.371	3.573	0	50	BHAA	
Cc1ccc(Oc2ccc([C@H](C)N)cc2)cc1	19873245	BYALPFZCZNURCB-LBPRGKRZSA-N	227.307	3.807	0	50	BHAA	
CCCOC(C)(OCCC)c1ccccc1	37631397	FUAXRGOSTBUPGT-UHFFFAOYSA-N	222.328	3.713	0	50	BHAA	
CC[C@H](c1cccnc1)N(C)Cc1ccccc1	65374635	YNLUUUIGLRCYQY-MRXNPFEDSA-N	240.350	3.665	0	50	BHAA	
FC(F)c1cc(-c2cccnc2Cl)ccn1	725273445	DBAHFRLNQKZTHK-UHFFFAOYSA-N	240.640	3.735	0	50	BHAA	
Cc1cccc(C)c1NC(=O)c1cccc(F)c1	362179	OYQOJVXUTFMYCN-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
C[C@@H]1CCCC[C@H]1OC(=O)Nc1ccccc1	398171	IHUQXHKMDVTSNX-DGCLKSJQSA-N	233.311	3.814	0	50	BHAA	
Cc1ccc(C(C)C)cc1OCCN1CCCC1	4845082	WXJQPCRWHIIFSP-UHFFFAOYSA-N	247.382	3.593	0	50	BHAA	
Cc1ccc(-c2ccc(O)c(F)c2)cc1	65340692	UPSSODOHCOKLOB-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	in-vitro
Clc1ccc2c(Br)nccc2c1	71482509	DFEZCGBCINZVHQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Fc1c(Br)ccc(C(F)F)c1F	200487240	VLFQARMMKXNFFE-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
CCC(=O)Nc1ccc(Oc2ccccc2)cc1	493226	IYSAOZFRXQYCDR-UHFFFAOYSA-N	241.290	3.827	0	50	BHAA	
FC(F)Sc1nc2ccccc2s1	1447137	XYUPZERKMMCICQ-UHFFFAOYSA-N	217.265	3.611	0	50	BHAA	in-vitro
Cc1ccc(OCCCCN2CCCCC2)cc1	2493445	WQFKTQZRNSJNPV-UHFFFAOYSA-N	247.382	3.640	0	50	BHAA	
CCOC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1	2534138	ULMVLLISCAWCMZ-UHFFFAOYSA-N	245.322	3.642	0	50	BHAA	
Cc1cc(C)c(-c2csc(C=O)n2)cc1C	3676342	DSYUCPZYAKJUSU-UHFFFAOYSA-N	231.320	3.548	0	50	BHAA	in-vitro
O=c1cc(C2CCCCC2)c2ccccc2[nH]1	16980893	OCHRZCHLWJNXLM-UHFFFAOYSA-N	227.307	3.576	0	50	BHAA	
CC(F)(F)c1cccc(Br)c1	63980108	NCJAJYPBNUFMQK-UHFFFAOYSA-N	221.044	3.561	0	50	BHAA	in-vitro
Cc1cc(C)c(Cc2ccccc2)cc1O	71773637	PVWVARWONOBSRW-UHFFFAOYSA-N	212.292	3.600	0	50	BHAA	
Cc1cc(C(=O)c2ccccc2)c(C)c(C)c1O	129729276	AQLFBJFEKUUWDK-UHFFFAOYSA-N	240.302	3.548	0	50	BHAA	
O=Cc1cc(-c2ccnc(C(F)F)c2)cs1	725273638	RHCDJBJYCYUBHE-UHFFFAOYSA-N	239.246	3.560	0	50	BHAA	
CC[C@@H]1CCC(=O)C[C@@H]1SC(C)(C)C	725363108	XZZPKMFIYRWNDK-KOLCDFICSA-N	214.374	3.666	0	50	BHAA	
O=Cc1ccccc1Oc1cc(F)cc(F)c1	170417	KFCGUSLQUIMEOM-UHFFFAOYSA-N	234.201	3.570	0	50	BHAA	
CSc1nc2ccc(Cl)cc2s1	144992940	AQWCMNMOJABEAY-UHFFFAOYSA-N	215.730	3.672	0	50	BHAA	
Cc1n[nH]cc1Sc1cccc(Cl)c1	642881934	HTZJUYAWWJIERB-UHFFFAOYSA-N	224.716	3.523	0	50	BHAA	
CC12C[C@@H]3C[C@H](C1)CC(Br)(C3)C2	1557544	MXAYGTASSPYUJB-IXBNRNDTSA-N	229.161	3.740	0	50	BHAA	in-vitro
CCCCN(CCCC)c1ccc(C=O)cc1	2149539	VNWPLOWYHIDMEB-UHFFFAOYSA-N	233.355	3.906	0	50	BHAA	in-vitro
CCOC(=O)c1ccc(-c2ccccc2)s1	2385691	UXNYFCYTHBUYNK-UHFFFAOYSA-N	232.304	3.592	0	50	BHAA	
Cc1ccc(-c2cn3ccsc3n2)cc1C	12404841	HADFVNGYRIEWDW-UHFFFAOYSA-N	228.320	3.680	0	50	BHAA	
CCc1ccc(CN[C@@H](C)C2=CCCCC2)nc1	952860828	TWFNLEGIKZLIMF-ZDUSSCGKSA-N	244.382	3.623	0	50	BHAA	
Cc1c(Cl)cc(Cl)c2c1C(=O)CS2	397695	PYRFUPKTUOWRGF-UHFFFAOYSA-N	233.119	3.590	0	50	BHAA	
O=Cc1cccc(Oc2ccc(Cl)cc2)c1	2242718	MYQFRCYBOOWGJQ-UHFFFAOYSA-N	232.666	3.945	0	50	BHAA	in-vitro
Cc1cc(C(=O)NCCC2=CCCCC2)c(C)o1	3613416	FRXPEODZTWZHDV-UHFFFAOYSA-N	247.338	3.517	0	50	BHAA	
CC(=O)c1ccc(-c2ccc(F)cc2)s1	3883624	JJDDBZXRWFKKTH-UHFFFAOYSA-N	220.268	3.757	0	50	BHAA	in-vitro
CCC/C=C/c1ccc([C@H](C)NC(C)=O)cc1	67846995	LGKHQWBDYWMAIK-SYTKJHMZSA-N	231.339	3.697	0	50	BHAA	
C/C=C/C(=O)Nc1cccc(-c2ccccc2)c1	709738223	AMJIBKZKPBHCSA-FARCUNLSSA-N	237.302	3.868	0	50	BHAA	
O=C(Nc1ccccc1Cl)C1CCCCC1	409056	MFVBIFZZMKDPEH-UHFFFAOYSA-N	237.730	3.859	0	50	BHAA	
CCc1ccc(-c2cccc(C(=O)OC)c2)cc1	1259385	ITVCKBYOHRUJPB-UHFFFAOYSA-N	240.302	3.703	0	50	BHAA	
CCCCOc1ccc(-c2ncc(C)cn2)cc1	2472428	OCISFOHJYAXWGE-UHFFFAOYSA-N	242.322	3.631	0	50	BHAA	
CC1=C(C)/C(=C(\C)c2[nH]cc(C)c2C)N=C1	2519574	TUWHDOMVDQKQEP-OWBHPGMISA-N	214.312	3.783	0	50	BHAA	
CCCCc1ccc(C(=O)C(F)(F)F)cc1	2558703	XIVOMWSWGCFRNB-UHFFFAOYSA-N	230.229	3.774	0	50	BHAA	
Clc1ccc(CC/C=C\n2ccnc2)cc1	19912137	BQEAUFZINZJDMX-MBXJOHMKSA-N	232.714	3.640	0	50	BHAA	
Clc1ccccc1OCc1ccccc1	33944889	JJHQOWSIVWOGGU-UHFFFAOYSA-N	218.683	3.919	0	50	BHAA	
CC(C)(C)C1CCC(NCc2ccncc2)CC1	279845	RJFPAYBSJFCLQN-UHFFFAOYSA-N	246.398	3.776	0	50	BHAA	
CCCC(=O)Nc1nc(-c2ccccc2)cs1	444463	WHYXOVHTOGVQHM-UHFFFAOYSA-N	246.335	3.549	0	50	BHAA	
CC(C)(C)c1cc(O)c(N)c(C(C)(C)C)c1	7023202	CLRBDDUMPXYLHE-UHFFFAOYSA-N	221.344	3.569	0	50	BHAA	
CC(C)=CC(=O)Oc1cc(C)c(Cl)c(C)c1	148997	FBPRIFYEHZCYKS-UHFFFAOYSA-N	238.714	3.828	0	50	BHAA	
Cc1cc(-n2cccc2)ccc1Br	1519689	ONKNDOCCQBESLK-UHFFFAOYSA-N	236.112	3.548	0	50	BHAA	
O=C(c1ccc(Cl)cc1Cl)C(F)(F)F	2579839	MKBRURHQKRNOCM-UHFFFAOYSA-N	243.011	3.738	0	50	BHAA	
COc1c(Br)ccc2ccccc12	39254344	UOVMWQHKZYGAGR-UHFFFAOYSA-N	237.096	3.611	0	50	BHAA	
COc1cccc(-c2nc3ccccc3s2)c1	359224	HROHCTACUYNNLZ-UHFFFAOYSA-N	241.315	3.972	0	50	BHAA	
Clc1cccc(-c2ccc(CNC3CC3)o2)c1	6697451	JGHARYMZLDHMCA-UHFFFAOYSA-N	247.725	3.852	0	50	BHAA	
CCCSc1cccc(Br)c1	95915337	QARXAUVHMLYHJH-UHFFFAOYSA-N	231.158	3.951	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)c1ccccc1	363124	MZQJQFDXYQRRMI-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)s1	370761	APURLLNLZJQKBW-UHFFFAOYSA-N	245.347	3.926	0	50	BHAA	
Cc1ccn2cc(-c3cccc(Cl)c3)nc2c1	433060	XJKKBHJDHXDGHU-UHFFFAOYSA-N	242.709	3.963	0	50	BHAA	
CC(=O)c1c(C)cc(C(C)(C)C)cc1C	1706899	JNHLHPMTMTYLCP-UHFFFAOYSA-N	204.313	3.804	0	50	BHAA	
c1ccc2c(c1)Oc1nc3ccccc3nc1O2	3843480	KZLHPARJEBMGKB-UHFFFAOYSA-N	236.230	3.528	0	50	BHAA	biogenic
Cc1ccc(C)c(NC(=O)c2c(C)coc2C)c1	9764040	OLJMLFXLUHTGAB-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
CC(C)(C)c1cc(C(C)(C)C)c(O)cc1N	40556423	BKSDHPHOWDUJNB-UHFFFAOYSA-N	221.344	3.569	0	50	BHAA	in-vitro
CCCOc1cc(C)cc(Br)c1	62152412	SCWPVIJMEMFWIJ-UHFFFAOYSA-N	229.117	3.546	0	50	BHAA	
Fc1cc(Cl)c(Cl)c(Br)c1	63339607	MWMUPKSZZWPECK-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
Clc1ccc2ccnc(Br)c2c1	71482517	OOPNOHVOHJARSZ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Cc1sc2ccc(Cl)cc2c1C(=O)O	222390547	SYBYJLHCZNFJRO-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	
CC1(C)[C@]2(C)[C@@H]3C=C[C@H]3[C@@]12c1ccccc1	253592785	YWEBSTIVHWFMCK-VDERGJSUSA-N	210.320	3.786	0	50	BHAA	
Cc1ccc(-c2ccc(C=O)o2)cc1Cl	333529	OOMPOSIYMXBNCN-UHFFFAOYSA-N	220.655	3.721	0	50	BHAA	in-vitro
O=Cc1cccn1Cc1cccc2ccccc12	615731	UOULQAPYIIWPRO-UHFFFAOYSA-N	235.286	3.502	0	50	BHAA	
Cc1cccc(CSc2ccccc2N)c1	6755707	IVPDRICJTLXQCQ-UHFFFAOYSA-N	229.348	3.870	0	50	BHAA	
Fc1cc(Br)c(F)c(Cl)c1F	238568260	VYULIZVZKXJRMU-UHFFFAOYSA-N	245.425	3.520	0	50	BHAA	
COc1ccccc1-c1nc2ccccc2s1	163321	UAKADWQYPAMUOJ-UHFFFAOYSA-N	241.315	3.972	0	50	BHAA	
Cc1ccc(F)c(NC(=O)Nc2ccccc2)c1	182109	KVXHTUDUVDTLLG-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
CC(C)(O)c1ccc(-c2ccccc2)cc1	1231940	GOKGIYHIVSGXDM-UHFFFAOYSA-N	212.292	3.581	0	50	BHAA	
Cc1ccc([C@@H](C)NC(=O)CC(C)(C)C)cc1C	6726840	AJVPBWYDNIBHEH-CYBMUJFWSA-N	247.382	3.917	0	50	BHAA	
Fc1ccc(-c2cc(F)ccc2F)cc1	675069135	BZAVUVLYZBTNCJ-UHFFFAOYSA-N	208.182	3.771	0	50	BHAA	
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](C)C1	675076810	REFJMRGPDFDYNZ-IUCAKERBSA-N	217.287	3.993	0	50	BHAA	
c1ccc(Cc2cc(-c3ccccc3)[nH]n2)cc1	331497	ZLVBMDHJLBYKFG-UHFFFAOYSA-N	234.302	3.668	0	50	BHAA	
CC(C)c1ccc(C(=O)C(F)(F)F)cc1	2378553	JXAARZPBEHNXIL-UHFFFAOYSA-N	216.202	3.555	0	50	BHAA	
CC[C@H](c1ccccc1)[C@@H]1CCCCCN1	3734978	QOWDVQDTBKFJGC-CABCVRRESA-N	217.356	3.712	0	50	BHAA	in-vitro
CCOC(=O)Nc1ccc([C@H](C)CC)cc1	5094184	DKWVUSOLYGNTKY-SNVBAGLBSA-N	221.300	3.769	0	50	BHAA	
Fc1c(Cl)ccc(OC2CCCC2)c1F	261494412	WYTALWWWYQNEER-UHFFFAOYSA-N	232.657	3.940	0	50	BHAA	
O=Cc1ccc(-c2ccc(Cl)cc2)cc1	1259829	UXCMNUUPBMYDLJ-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	in-vitro
Nc1cncc(-c2cc(Cl)ccc2Cl)c1	32592804	IQRGZZXXDZGMFJ-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
CCc1ccc2cnccc2c1Br	211844573	LUBLWXXDXUAREB-UHFFFAOYSA-N	236.112	3.560	0	50	BHAA	
C[C@H]1CCC(=O)C[C@@H]1Sc1ccccc1	223585842	DUTUEUMDWDCSMC-GWCFXTLKSA-N	220.337	3.536	0	50	BHAA	
Fc1ccc(-c2c[nH]c3ccccc23)cc1	2513949	JFVIPMRWCFOHBG-UHFFFAOYSA-N	211.239	3.974	0	50	BHAA	in-vitro
CSc1ccccc1[C@@H]1CCCCCN1	3734988	NETSUPARTVOWIS-LBPRGKRZSA-N	221.369	3.613	0	50	BHAA	in-vitro
Clc1ccc2oc3c(Cl)ncnc3c2c1	5023003	FLULEERYFWMYDE-UHFFFAOYSA-N	239.061	3.683	0	50	BHAA	
CCCNCC1(c2ccccc2)CCCCC1	53737636	GRRFIQJLXLYYPV-UHFFFAOYSA-N	231.383	3.888	0	50	BHAA	
COc1cc(Cl)c(OC(F)F)cc1Cl	263624077	NFAJOKSVUWFORB-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
Cc1cc(F)c(Br)c(Cl)c1	263624764	TZFGZLPMVDTBSN-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
C[C@@H]1CCC[C@@H](/C=C/Nc2cccc(F)c2)C1=O	1776111212	GWWOPNSQFMLRMU-DGTDAXKGSA-N	247.313	3.757	0	50	BHAA	
Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1	1634224	HPAFOABSQZMTHE-UHFFFAOYSA-N	224.303	3.843	0	50	BHAA	
CCCCOc1ccc(CN2CCCCC2)cc1	2893833	IROCMWDUEJFAFI-UHFFFAOYSA-N	247.382	3.851	0	50	BHAA	
O=C(O)c1ccccc1CCCc1ccccc1	3198932	WTSQYIQCBHQOBC-UHFFFAOYSA-N	240.302	3.560	0	50	BHAA	
c1ccc2c(c1)[C@@H]1CCC[C@H]3CCCN2[C@@H]31	4532299	CGZZLBWDQKRDNU-WHOFXGATSA-N	213.324	3.553	0	50	BHAA	
C[C@@H](NC(=O)c1ccc(Cl)s1)C(C)(C)C	12381113	CPXXDRYRRQHXMO-SSDOTTSWSA-N	245.775	3.566	0	50	BHAA	
C[C@H](Sc1ccccc1)C1=CCCCO1	43198794	PIJHQTKDJAJYON-NSHDSACASA-N	220.337	3.862	0	50	BHAA	
Cc1ccncc1-c1cccc2cnccc12	71315415	CXBSMONSLVTAQM-UHFFFAOYSA-N	220.275	3.605	0	50	BHAA	
Cc1cc(-c2ccc(C(=O)O)o2)ccc1Cl	334163158	MVGBISYSRQGHOM-UHFFFAOYSA-N	236.654	3.607	0	50	BHAA	
Cc1n[nH]c(C)c1Sc1ccc(Cl)cc1	127858	FABJXTYEJRKXNN-UHFFFAOYSA-N	238.743	3.831	0	50	BHAA	
CC[C@@]1(C)C[C@H](c2csc(C)n2)CCO1	432784	YPZFGDOTQMFJSL-PWSUYJOCSA-N	225.357	3.514	0	50	BHAA	
Cc1cccc(-c2ccc(C=O)o2)c1Cl	456167	BTKDLQNHNFWAND-UHFFFAOYSA-N	220.655	3.721	0	50	BHAA	
Cc1cccc2cc(-c3ccccc3)cn12	1020866	INOVZESTRNGOLS-UHFFFAOYSA-N	207.276	3.915	0	50	BHAA	biogenic
CC[C@H](C)c1ccccc1OCCN[C@H](C)CC	2821947	QYSLGTNIVKGQRX-UONOGXRCSA-N	249.398	3.967	0	50	BHAA	
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C(=O)O	34546884	JYGAZEJXUVDYHI-DGTMBMJNSA-N	236.355	3.726	0	50	BHAA	biogenic,in-vitro
CCOc1ccc2ccccc2c1-c1ncc[nH]1	67973950	BTGQQGRXMNANFP-UHFFFAOYSA-N	238.290	3.629	0	50	BHAA	
c1cc(-c2ccc3c(c2)OCO3)c2cc[nH]c2c1	67982870	GTYPHJXHSGPSKV-UHFFFAOYSA-N	237.258	3.564	0	50	BHAA	
Clc1cc(Cl)cc(Br)c1	150772	DZHFFMWJXJBBRG-UHFFFAOYSA-N	225.900	3.756	0	50	BHAA	
CCCC1CCC([C@H](CC)C(=O)O)CC1	685951279	CFIZRTXVLCSVSH-MCIGGMRASA-N	212.333	3.704	0	50	BHAA	
CC(F)(F)c1ccccc1Br	63360996	XZJWDIHNMMLGLA-UHFFFAOYSA-N	221.044	3.561	0	50	BHAA	in-vitro
Nc1ccc(Cl)c(-c2ccccc2)c1	95635113	BSDFOSUPRZEWQI-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
Cc1cccc([C@]23CCCC[C@@H]2CCCN3)c1	96026857	QCXFOUMRLGBMSF-ZBFHGGJFSA-N	229.367	3.764	0	50	BHAA	
O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2CCCC[C@H]21	245377594	NBPVREKZJCSHRK-IWIIMEHWSA-N	249.741	3.715	0	50	BHAA	
CCOC(=O)c1cc2c([nH]c3ccccc32)s1	259596892	AUYGNNSEVRHEBD-UHFFFAOYSA-N	245.303	3.559	0	50	BHAA	
Oc1ccnc2c(Cl)c(C(F)(F)F)ccc12	1848350342	CQVBDNYSZWHTPR-UHFFFAOYSA-N	247.603	3.613	0	50	BHAA	
Cc1ccc(/C=C2\OC(=O)c3ccccc32)cc1	42233	HYLSWFOHDJRUGQ-GDNBJRDFSA-N	236.270	3.664	0	50	BHAA	
Cc1ccc(NCc2ccco2)cc1C	263013	SPXKYWDKBVGKMB-UHFFFAOYSA-N	201.269	3.509	0	50	BHAA	in-vitro
Clc1cccc(Oc2ccccc2)n1	331779	FTBCXEHMCFPRRF-UHFFFAOYSA-N	205.644	3.527	0	50	BHAA	
CC1(C)CCC(C)(C)c2ccccc2C1=O	3123631	ASWUSCKQFIURRF-UHFFFAOYSA-N	216.324	3.967	0	50	BHAA	
CC[C@@H](C)NC(=O)N[C@H](CC)c1ccc(C)cc1	13745310	AKERBRRKMUOBDQ-TZMCWYRMSA-N	248.370	3.544	0	50	BHAA	
Fc1cc(C(F)(F)F)cc(Cl)c1F	2526216	RZMVFJHGONCXQR-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	biogenic,in-vitro
C/C(Br)=C(\C)c1ccccc1	71784981	BZUOGOFFBKZESC-HJWRWDBZSA-N	211.102	3.832	0	50	BHAA	
CCCCOc1cc(C(F)(F)F)ccc1O	204878308	PLDAEUQAFPHWQF-UHFFFAOYSA-N	234.217	3.590	0	50	BHAA	
CCCC(C)(C)Nc1cccc(NC(C)=O)c1	257373196	QEGAVWMUNCGAIO-UHFFFAOYSA-N	234.343	3.636	0	50	BHAA	
Clc1cc(Br)c2cnccc2c1	675050170	HXNYEHRNBILNAR-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Cc1cc(Sc2ccc(O)c(C)c2)ccc1O	37297	IBNFPRMKLZDANU-UHFFFAOYSA-N	246.331	3.866	0	50	BHAA	in-vitro
CCC(=O)OCC[C@H](C)CCC=C(C)C	2040979	POPNTVRHTZDEBW-GFCCVEGCSA-N	212.333	3.712	0	50	BHAA	endogenous,in-man
CC(C)(C)c1ccc2c(C(=O)O)csc2c1	5904663	GLMCOVPJTAOHEL-UHFFFAOYSA-N	234.320	3.897	0	50	BHAA	
Cc1cccc(Sc2cncc(Cl)n2)c1	40696343	RKBBQAXICBXCFB-UHFFFAOYSA-N	236.727	3.590	0	50	BHAA	
CCCCNc1nc(CC)nc2sc(C)cc12	41090641	MIKWYYASYLHTJN-UHFFFAOYSA-N	249.383	3.774	0	50	BHAA	
CCn1nc(C)cc1C(C)(C)c1ccccc1	44125358	CFZGBPUUECYNPV-UHFFFAOYSA-N	228.339	3.537	0	50	BHAA	
Fc1c(Cl)cc(Cl)cc1Br	65356430	MIEOCLLZJPCOIV-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
CCc1cc(Cl)ccc1Br	65356449	BTGSQYQDTHZFCM-UHFFFAOYSA-N	219.509	3.665	0	50	BHAA	
Cc1nc2cc(C)c(Br)cc2s1	138330910	HAFVLYMSCHNSRD-UHFFFAOYSA-N	242.141	3.676	0	50	BHAA	
CCCC[C@@H]1CCC[C@@H]1Nc1cc(C)ncn1	170624867	TWPDQADNWLYPSX-OLZOCXBDSA-N	233.359	3.556	0	50	BHAA	
O=Cc1ccc(-c2ccnc(C(F)F)c2)s1	725273583	MKEWZVIYRLXBSQ-UHFFFAOYSA-N	239.246	3.560	0	50	BHAA	
CCC(=O)c1ccc(N2CCC(C)CC2)c(F)c1	53791	XIJOVIJJXPEGNM-UHFFFAOYSA-N	249.329	3.655	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1)Oc1ccccc1	395066	ZHHRCXDYWBPEDA-UHFFFAOYSA-N	247.681	3.951	0	50	BHAA	
Cc1cccc([C@H](O)c2cccc(Cl)c2)c1	4242613	CRTRHWCMKYOWPL-AWEZNQCLSA-N	232.710	3.730	0	50	BHAA	
Brc1ccc(OC2CCCC2)cc1	19806500	DWMSXAAIGFYBGC-UHFFFAOYSA-N	241.128	3.771	0	50	BHAA	
CCN(CC)Cc1c(Cl)cccc1Cl	61757568	VVHQXZCTVXZXDP-UHFFFAOYSA-N	232.154	3.835	0	50	BHAA	
CCC(C)(C)C1CCC(=CC(=O)OC)CC1	133838568	FROOZYCVVVOLIN-UHFFFAOYSA-N	224.344	3.712	0	50	BHAA	
Cc1cccc(Br)c1Br	2011445	LUIVNNXFXHFZFD-UHFFFAOYSA-N	249.933	3.520	0	50	BHAA	in-vitro
C[C@H](c1ccccc1)[C@](C)(O)c1ccccc1	3136773	NCIAKSBPWVOMFR-CJNGLKHVSA-N	226.319	3.698	0	50	BHAA	
CC(=O)COc1ccc(-c2ccc(C)cc2)cc1	4056170	WFXFYYHWZHAGIG-UHFFFAOYSA-N	240.302	3.630	0	50	BHAA	
Cc1oc2ncnc(Nc3ccccc3)c2c1C	5348002	VTCGMEARPBNSAJ-UHFFFAOYSA-N	239.278	3.583	0	50	BHAA	
Cc1ccc(-c2nc(-c3cccs3)no2)cc1	6702668	SWCQGWUSAIUWLG-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
CC(C)=C1CC=C(Br)CC1	85477017	YACJAEISBZCPPR-UHFFFAOYSA-N	201.107	3.786	0	50	BHAA	in-vitro
C[C@H]1[C@@H](C)[C@]1(Cl)Sc1ccccc1	242495551	GJNDPBXIKNJNPJ-JZYVYDRUSA-N	212.745	4.000	0	50	BHAA	
CSc1nc2cc(Cl)c(Cl)cc2[nH]1	78887	OBYWDNBOQUIKNW-UHFFFAOYSA-N	233.123	3.592	0	50	BHAA	
Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1C	244306	GOPXFCJIMXYKQS-UHFFFAOYSA-N	245.366	3.924	0	50	BHAA	
c1cc2ccc1CCc1ccc(cc1)CC2	1081282	OOLUVSIJOMLOCB-UHFFFAOYSA-N	208.304	3.570	0	50	BHAA	biogenic,in-vitro
CCN(CC)CCCOc1cccc(C(C)C)c1	2931310	HUBNKAOKVKKORY-UHFFFAOYSA-N	249.398	3.921	0	50	BHAA	
O[C@@H]1CCCCCc2ccc(cc2)CCCC1	4530404	MNGDGTJYTVPIDT-MRXNPFEDSA-N	232.367	3.877	0	50	BHAA	
Cc1c(Br)ccc2ccccc12	71256578	AEJFBKVIGAYAQV-UHFFFAOYSA-N	221.097	3.911	0	50	BHAA	in-vitro
CC(C)C(=O)c1ccc(O)c(-c2ccccc2)c1	129734798	YWQNGSHZQFUKJV-UHFFFAOYSA-N	240.302	3.898	0	50	BHAA	
CC(C)CC(C)(C)NCc1cnc(C(C)C)nc1	952990399	YCVDPBAUBKZMFZ-UHFFFAOYSA-N	249.402	3.514	0	50	BHAA	
Cc1cc(OCCCNC(C)C)cc(C(C)C)c1	3002095	YFLLPCUBMOQHBV-UHFFFAOYSA-N	249.398	3.885	0	50	BHAA	
COC(=O)c1cc(Cl)cc(-c2ccccc2)c1	97757131	QZHJUYDBEBNAAV-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
CCCCOc1cc(F)c(Cl)cc1F	261494196	RSIYYAVHBZIPOH-UHFFFAOYSA-N	220.646	3.797	0	50	BHAA	
CC(C)S[C@H]1CC(=O)CC[C@@H]1C(C)C	725360564	IPTOHXORLWWBPE-NEPJUHHUSA-N	214.374	3.522	0	50	BHAA	
Cc1cc(O)c(C(C)C)cc1Br	1059	ZSIQWWYOUYOECH-UHFFFAOYSA-N	229.117	3.587	0	50	BHAA	in-vitro
CCOc1ccccc1NC(=O)C1CCCCC1	112147	ORXFPYPEXNURHE-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
CCc1ccc(-c2cn3cc(C)ccc3n2)cc1	218510	OQYGGLBVGQYMOA-UHFFFAOYSA-N	236.318	3.872	0	50	BHAA	
O=C(Nc1ccc(Cl)cc1F)C1CCCC1	376516	LZBZBWLHFIEABS-UHFFFAOYSA-N	241.693	3.608	0	50	BHAA	
CCCc1ccc(-c2nc(CCC)no2)cc1	430455	UQOZZTTWKFZFIW-UHFFFAOYSA-N	230.311	3.642	0	50	BHAA	
O=C(O)c1cc(Cl)cc(-c2cccs2)c1	65349412	GLHZROZJLPKPCJ-UHFFFAOYSA-N	238.695	3.767	0	50	BHAA	in-vitro
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C1CCCC1	245680414	JXLQZRKEOUWIFO-MBNYWOFBSA-N	207.361	3.582	0	50	BHAA	
C[C@@H]1[C@H]2C[C@@H](C[C@@H]2[C@H]2CCC[C@@H](O)C2)C1(C)C	253590073	BWVZAZPLUTUBKD-YXJLRHLOSA-N	236.399	3.856	0	50	BHAA	endogenous,in-man
CCCNCc1ccccc1SC(F)(F)F	725270557	MFFYTAHTSTYHSX-UHFFFAOYSA-N	249.301	3.798	0	50	BHAA	
CC(C)S[C@H]1CC(=O)CC[C@@H]1C(C)(C)C	725362211	QPILUKTVQVLRPX-RYUDHWBXSA-N	228.401	3.912	0	50	BHAA	
CC[C@H](C)NCCOc1ccc(C(C)C)c(C)c1	2822908	OYPJURPLTGCCRM-AWEZNQCLSA-N	249.398	3.885	0	50	BHAA	
CCn1c2ccccc2c2cc(CNC)ccc21	3888893	LBPNOEAFWYTTEB-UHFFFAOYSA-N	238.334	3.534	0	50	BHAA	in-vivo
COC(=O)c1ccc(F)c(-c2ccc(C)cc2)c1	85210151	SBUQUZPXWGUBDD-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(F)cn2)c2cccnc12	426580910	CVROYGXYUDVHBM-UHFFFAOYSA-N	238.265	3.744	0	50	BHAA	
CC(C)CC(=O)Nc1cc(Cl)ccc1Cl	30577	QCFKCCKXUSTJIC-UHFFFAOYSA-N	246.137	3.978	0	50	BHAA	
c1ccc2c(CCNC3CCCCC3)c[nH]c2c1	68845	IJHNRNKVSNWVEH-UHFFFAOYSA-N	242.366	3.633	0	50	BHAA	
c1ccc2c(c1)ccc1c(-c3ccncc3)[nH]nc12	396981	KQMIKXSVZLLPSY-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
CCCCCCN[C@@H](C)c1ccccc1	2027701	RGSPUCRWIKFBND-ZDUSSCGKSA-N	205.345	3.918	0	50	BHAA	
Nc1cc(Cl)c(C(F)(F)F)c(Cl)c1	2510705	LOVGLWZIYWMBLT-UHFFFAOYSA-N	230.016	3.594	0	50	BHAA	
CCOc1ccc(Cl)cc1[C@@H]1CCCCN1	12404749	MYIBAFWQCUCAJD-LBPRGKRZSA-N	239.746	3.553	0	50	BHAA	
COc1cc(Cl)c(Cl)c(OC(F)F)c1	263623842	LEJYHCFGSRBRQR-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
CC(=O)CCc1c(C)nc2ccccc2c1Cl	366169	RJNCBNFDDJUWAS-UHFFFAOYSA-N	247.725	3.718	0	50	BHAA	
CC1(C)CCC(C)(C)c2cc(C(=O)O)ccc21	4277307	KSEZYZSBKCPEKP-UHFFFAOYSA-N	232.323	3.734	0	50	BHAA	in-vitro
CC[C@@H](C)n1c(=S)[nH]c2ccccc21	5686571	IFMGTBLINHVYGN-MRVPVSSYSA-N	206.314	3.670	0	50	BHAA	
Fc1ccccc1-c1nc(-c2cccs2)no1	6702113	GRSKSLJTFFFWMK-UHFFFAOYSA-N	246.266	3.604	0	50	BHAA	
CCc1c(C(=O)Nc2ccccc2)csc1C	13326301	HAAMKYCAOZKHDC-UHFFFAOYSA-N	245.347	3.871	0	50	BHAA	
NCC1(c2ccc(Cl)c(Cl)c2)CCCC1	36948409	CTUZLMXCSKURAB-UHFFFAOYSA-N	244.165	3.764	0	50	BHAA	
CCOc1ccccc1-c1ccc2[nH]ncc2c1	67956464	FSCVYUFWDNPWPM-UHFFFAOYSA-N	238.290	3.629	0	50	BHAA	
C1=CN(C2CCCCC2)CN1C1CCCCC1	112978415	YQZCSEVPKQVTQP-UHFFFAOYSA-N	234.387	3.698	0	50	BHAA	
O=C1CCCC[C@@H]1c1ccccc1Cl	390531	UOEXWLLNMGAJDD-SNVBAGLBSA-N	208.688	3.567	0	50	BHAA	
Cc1cccc(NC(=O)Oc2ccccc2)c1C	397304	JMQXFSRXDRYUEA-UHFFFAOYSA-N	241.290	3.914	0	50	BHAA	
Cc1noc(C)c1CNc1ccc(Cl)cc1	1383208	XQUIFLXGZWJHMR-UHFFFAOYSA-N	236.702	3.557	0	50	BHAA	
O=C(O)c1cccc(-c2cccc(Cl)c2)c1	2574061	CUYOMAWUBKMNDE-UHFFFAOYSA-N	232.666	3.705	0	50	BHAA	
Cc1ccccc1NC(=S)N1CCCCCC1	7522249	ARDIFXTUOPNGGA-UHFFFAOYSA-N	248.395	3.568	0	50	BHAA	
O=C(c1ccccc1)c1coc2ccccc12	22014105	TWWAVGXQPVEBKZ-UHFFFAOYSA-N	222.243	3.664	0	50	BHAA	
C[C@@H]1[C@@H](C)C1(Cl)Sc1ccccc1	95627049	GJNDPBXIKNJNPJ-RKDXNWHRSA-N	212.745	4.000	0	50	BHAA	
Fc1ccc(Br)c2sccc12	164575037	GRWQGVKHZPDRQB-UHFFFAOYSA-N	231.089	3.803	0	50	BHAA	
O=C(Cc1ccccc1)Nc1ccc(Cl)cc1	128495	WYJLJXRDWVMLDM-UHFFFAOYSA-N	245.709	3.521	0	50	BHAA	
Cc1ccc(NC(=O)c2ccc(C)cc2)cc1	365192	IYSZSRMLCQIVAJ-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1	1716902	HHRAKSMWUCTDPI-IRXDYDNUSA-N	236.314	3.917	0	50	BHAA	
CCCOc1ccc([C@H](O)c2ccccc2)cc1	3176007	GUUNHNLQDTXABJ-MRXNPFEDSA-N	242.318	3.557	0	50	BHAA	
CCn1ccc(-c2cccc(-c3ccncc3)c2)n1	19811845	OLHMFJASMXNJQJ-UHFFFAOYSA-N	249.317	3.632	0	50	BHAA	
Cc1cnccc1-c1ccc(OC(C)C)cc1	649427426	NIQKAWDPWTVSAA-UHFFFAOYSA-N	227.307	3.844	0	50	BHAA	
Cc1cc(-c2cnc3cc(F)ccc3c2)ccn1	1240716704	WQFSHLICRKITCC-UHFFFAOYSA-N	238.265	3.744	0	50	BHAA	
CCc1ccc(-c2ccc(C(=O)O)cc2)cc1	58283	SCEBDBNGUCNRCE-UHFFFAOYSA-N	226.275	3.614	0	50	BHAA	biogenic,in-vitro
CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c32	441476	RBFKOHMQYNQBAR-UHFFFAOYSA-N	245.366	3.561	0	50	BHAA	in-vitro
CC[C@]1(CC(C)(C)c2ccccc2)OC[C@@H](C)O1	451668	UDBZSGMJLUTCPL-CJNGLKHVSA-N	248.366	3.896	0	50	BHAA	
O=Cc1cccc(-c2ccc(Cl)cc2)c1	1260011	JIBHWLKAALCSRU-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	in-vitro
C[Si](C)(C)C1C=C2C(=C1)[C@H]1CC[C@H]2C1	169833730	NQLDIYKDAKTTAH-UWVGGRQHSA-N	204.389	3.991	0	50	BHAA	
O=C1CCc2cc(-c3ccc(F)cc3F)ccc21	236264904	BZIZYWIQJFHTKV-UHFFFAOYSA-N	244.240	3.761	0	50	BHAA	
CCn1ncc(-c2ccccc2Cl)c1C	2356137604	RHVSVNVSCSNNBW-UHFFFAOYSA-N	220.703	3.532	0	50	BHAA	
CC(C)(C)c1cc(O)cc(C(C)(C)C)c1	1081265	ZDWSNKPLZUXBPE-UHFFFAOYSA-N	206.329	3.987	0	50	BHAA	biogenic,in-vitro
Cc1ccc(CNCCC2=CCCCC2)cc1	2132374	YKKABOKSWPNSMV-UHFFFAOYSA-N	229.367	3.975	0	50	BHAA	
Cc1ccc(C)c(NCCOc2ccccc2)c1	2132384	HVBHRBZJLZEOHT-UHFFFAOYSA-N	241.334	3.794	0	50	BHAA	
CCCCC(=O)Oc1cccc2ccccc12	2169479	GRGNAHUPACBFOF-UHFFFAOYSA-N	228.291	3.935	0	50	BHAA	
CSc1cccc(-c2cccc(C(=O)O)c2)c1	4204285	YQYOLHQFXAEDTK-UHFFFAOYSA-N	244.315	3.774	0	50	BHAA	
Cc1cccc(OCCCSC(C)C)c1	5619718	QKNMBJMJFOMKSS-UHFFFAOYSA-N	224.369	3.906	0	50	BHAA	
Nc1ncc(-c2ccccc2)cc1-c1ccccc1	35837707	SMHSUJBAQQTWHF-UHFFFAOYSA-N	246.313	3.998	0	50	BHAA	
CO/C(=C(/OC)c1ccccc1)c1ccccc1	36449634	ZOZOROJQSSXZSU-FOCLMDBBSA-N	240.302	3.805	0	50	BHAA	
COc1ccc(Cl)cc1-c1csc(C)n1	57529977	UPOOWEDIVAZITF-UHFFFAOYSA-N	239.727	3.781	0	50	BHAA	
Cc1cnccc1-c1c(F)cccc1OC(C)C	65370763	HSIPOTPMWRUGLK-UHFFFAOYSA-N	245.297	3.983	0	50	BHAA	
Cc1c(F)cc2c(c1N)[C@@H](C)CC2(C)C	669374656	LRXUFCWTEUBCLB-ZETCQYMHSA-N	207.292	3.501	0	50	BHAA	
c1ccc(Nc2nc3c(s2)CCCC3)cc1	171930	DAQPKULKFNHSTP-UHFFFAOYSA-N	230.336	3.766	0	50	BHAA	
CCN1CCC[C@H](Nc2ccc(C(C)C)cc2)C1	12448105	URJIGQPSTOLXKN-INIZCTEOSA-N	246.398	3.706	0	50	BHAA	
CC(C)(C)c1cc(O)c(F)c(Br)c1	261493796	JKYVOAJRPNWQAE-UHFFFAOYSA-N	247.107	3.591	0	50	BHAA	
Cc1cccc(NC(=S)NC2CCCC2)c1C	306566	IWVZCHCCOJIGPV-UHFFFAOYSA-N	248.395	3.532	0	50	BHAA	
O=C(O)c1ccccc1Nc1ccc(Cl)cc1	347210	YZTPXKMADXYVOJ-UHFFFAOYSA-N	247.681	3.782	0	50	BHAA	
CCC(=O)O[C@@H](CC)[C@H](C)c1ccccc1	409771	CWWGTVBUXMFTSG-YPMHNXCESA-N	220.312	3.522	0	50	BHAA	
Cc1cccc(OCCCCN2CCCCC2)c1	2493467	LQPLLVVUKAYHDX-UHFFFAOYSA-N	247.382	3.640	0	50	BHAA	
Cc1ccc(C(=O)N(C)c2ccccc2)c(C)c1	46469382	KAMBGYCPCCISKM-UHFFFAOYSA-N	239.318	3.580	0	50	BHAA	
Clc1cc(Cl)c2ccsc2n1	82046532	OUMURQZNFGBWAH-UHFFFAOYSA-N	204.081	3.603	0	50	BHAA	in-vitro
Cc1c(C(=O)O)sc2cccc(Cl)c12	95835456	GSUMXDXBXSOHIZ-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	in-vitro
CC[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1	111	IYEPZNKOJZOGJG-HNNXBMFYSA-N	240.302	3.932	0	50	BHAA	in-man
CC(C)(C)c1coc2cc3oc(=O)ccc3cc12	4540396	LKIKMHBWPUNRFJ-UHFFFAOYSA-N	242.274	3.837	0	50	BHAA	biogenic
COc1ccc(CCNC2CCCCCC2)cc1	4989402	MEUTVEJCJODNHT-UHFFFAOYSA-N	247.382	3.550	0	50	BHAA	
Nc1cc(-c2ccccc2-c2ccccc2)ccn1	65398305	TVVTZSCWIIFGJO-UHFFFAOYSA-N	246.313	3.998	0	50	BHAA	
CC(=O)c1cc2c(cc1C)NC(C)(C)C[C@@H]2C	334160413	DHVPHAXLFLPTMP-JTQLQIEISA-N	231.339	3.895	0	50	BHAA	
Cc1cc(=O)c2sccc2n1[C@@H]1CC[C@H](C)C1	334956412	LTENADZUBULOHF-GXSJLCMTSA-N	247.363	3.733	0	50	BHAA	
CCc1c(Cl)c(C)cc(O)c1Cl	393690	NOEYLPXWMIBMCJ-UHFFFAOYSA-N	205.084	3.570	0	50	BHAA	in-vitro
CCCN(CCC)C(=O)Nc1ccc(C)c(C)c1	397332	MPTLOBKLCFUVJA-UHFFFAOYSA-N	248.370	3.957	0	50	BHAA	
C/C(=C/C(=O)Nc1ccccc1)c1ccccc1	1615293	HRSFRXQUPFPNSL-SEYXRHQNSA-N	237.302	3.729	0	50	BHAA	
CC1(C)C[C@@]2(C)OC(=O)O[C@]2(C)c2ccccc21	4717343	WEHIQXLVIKJUOY-HUUCEWRRSA-N	246.306	3.509	0	50	BHAA	
Cc1cccc(NC(=O)c2c(F)cccc2F)c1	4839130	GLJNSSJUIBRIQJ-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CCCCc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1	13326461	PTHMXNSLMJDRJA-RISCZKNCSA-N	231.339	3.624	0	50	BHAA	
CO[C@@]12[C@H]3CC[C@@H](C3)[C@@H]1[C@H]1C[C@H]2c2ccccc21	247956476	OKRGLLBHEZGBNW-BFFDEGHXSA-N	240.346	3.702	0	50	BHAA	
Nc1ccc(Cl)c(C(F)(F)F)c1Cl	306920879	OCOFCJCIFXVDJI-UHFFFAOYSA-N	230.016	3.594	0	50	BHAA	
O=C(O)c1[nH]c2ccccc2c1-c1ccccc1	168350	FEYRMXBCLPKSIJ-UHFFFAOYSA-N	237.258	3.533	0	50	BHAA	
Clc1ncccc1C(Cl)(Cl)Cl	226186	TZKVGCQBQQFWOV-UHFFFAOYSA-N	230.909	3.562	0	50	BHAA	in-vitro
Cc1cc(Cl)nc2ccc(Cl)cc12	277089	ZNZUDUAJLJNTLP-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
Cc1c(F)c(C)c(F)c(C(F)(F)F)c1F	2525723	MSDUOIDZMMKMLT-UHFFFAOYSA-N	228.135	3.740	0	50	BHAA	in-vitro
CNc1nc(C23CC4CC(CC(C4)C2)C3)cs1	4157018	ZQAGHCJCBPNEIA-UHFFFAOYSA-N	248.395	3.653	0	50	BHAA	
COC(=O)[C@@H](c1ccccc1)C1CCCCC1	39393968	CHGRSXGBVBMMAP-AWEZNQCLSA-N	232.323	3.524	0	50	BHAA	
Clc1ccc2cc(Br)ncc2c1	66322879	ZLAFRLYZTMTUOQ-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1F	83502274	SFOFUPMHMIGQMT-UHFFFAOYSA-N	245.681	3.826	0	50	BHAA	
CSC[C@H](C)N[C@@H](C)C[C@H]1C[C@H]2CC[C@H]1C2	252571515	YCDSSBKVVZRUTC-PEDHHIEDSA-N	241.444	3.542	0	50	BHAA	
Fc1cc(Cl)ccc1-c1nccn1C1CC1	1875246791	MVEPEXDEKCVHIH-UHFFFAOYSA-N	236.677	3.678	0	50	BHAA	
Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O	57044	YGYPMFPGZQPETF-UHFFFAOYSA-N	242.318	3.998	0	50	BHAA	in-vivo
CCC1CCC(NCCc2cccc(F)c2)CC1	6634736	JWHDKRAFKWMJNM-UHFFFAOYSA-N	249.373	3.927	0	50	BHAA	
Cc1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1	95048022	CWUPYTWOQQYKRQ-UHFFFAOYSA-N	246.256	3.699	0	50	BHAA	
CC(C)COc1cc(F)cc(Cl)c1	261494539	ZZKALMZEYRVZED-UHFFFAOYSA-N	202.656	3.514	0	50	BHAA	
CCC[C@H]1C[C@H](c2csc(C)n2)CCO1	295471	FNRAFLQGZOWCQJ-MNOVXSKESA-N	225.357	3.514	0	50	BHAA	
Cc1ccccc1NC(=O)CCc1ccccc1	443176	XHPGZIIDHCKWAN-UHFFFAOYSA-N	239.318	3.566	0	50	BHAA	
CCSc1nnc(-c2ccc(Cl)cc2)o1	582719	KNIWWUIMKUEOIZ-UHFFFAOYSA-N	240.715	3.502	0	50	BHAA	
Cc1cc(C(=O)NCCC2=CCCCC2)cs1	2872786	ZLRSPQMBVYZZIJ-UHFFFAOYSA-N	249.379	3.677	0	50	BHAA	
CN1CCC[C@@H]2CCC[C@H](c3ccccc3)[C@H]21	257356672	JOUQNHPNPHYSCX-XHSDSOJGSA-N	229.367	3.665	0	50	BHAA	
CCC[C@@H](C)c1ccc(NC(C)=O)cc1	409742	BYYACEAZNHCFCH-SNVBAGLBSA-N	205.301	3.549	0	50	BHAA	
Brc1cccc(SCC2CC2)c1	15444661	BIDNDPBMKWOGQG-UHFFFAOYSA-N	243.169	3.951	0	50	BHAA	in-vitro
FC(F)(F)Oc1ccccc1C(F)(F)F	39271325	ARGPEMOBEZXYNR-UHFFFAOYSA-N	230.107	3.604	0	50	BHAA	
CC1=C(c2ccccc2)[C@@H]2CC(=O)[C@H]2C1(C)C	45027794	HLZHQLPZKAKRDD-WFASDCNBSA-N	226.319	3.705	0	50	BHAA	
CC(=O)C[C@H](Nc1ccccc1)c1ccccc1	752042	WVOOLSMKIHUDAN-INIZCTEOSA-N	239.318	3.819	0	50	BHAA	
O=C1CCC[C@H]1c1cccc2ccccc12	3132466	AQMADBTVRPWMEG-AWEZNQCLSA-N	210.276	3.676	0	50	BHAA	
Cc1ccc(CN[C@H](C)c2ccccc2)cc1	4167377	UDQILIFIYSJMCU-CQSZACIVSA-N	225.335	3.846	0	50	BHAA	
O=Cc1cc(F)ccc1-c1cc(F)ccc1F	236158523	JVEZZXQTMGNVGX-UHFFFAOYSA-N	236.192	3.583	0	50	BHAA	
COc1ccccc1CN(C)[C@H]1CCC(C)(C)C1	564282788	FHANWTXTJJQQAB-AWEZNQCLSA-N	247.382	3.706	0	50	BHAA	
COc1ccccc1CN(C)[C@@H]1CCC(C)(C)C1	564282795	FHANWTXTJJQQAB-CQSZACIVSA-N	247.382	3.706	0	50	BHAA	
CO[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CCC2	758067	XIQGGVQGYZJNRM-CVEARBPZSA-N	245.366	3.545	0	50	BHAA	biogenic
Cc1ccc(-c2[nH]c3ccccc3c2C=O)cc1	1102073	YCCBLGKSXATWHI-UHFFFAOYSA-N	235.286	3.956	0	50	BHAA	
O=Cc1ccc(-c2cccc(Cl)c2)cc1	1257028	SQMLKQSDIZEGRP-UHFFFAOYSA-N	216.667	3.820	0	50	BHAA	in-vitro
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	2033979	JALUUBQFLPUJMY-LLVKDONJSA-N	226.275	3.542	0	50	BHAA	in-vivo
Cc1cc(C#N)ccc1-c1ccc(C#N)cc1C	118177969	MLBIEVOGQRJCIV-UHFFFAOYSA-N	232.286	3.714	0	50	BHAA	
COc1ccc2[nH]c3c(C)cc(O)c(C)c3c2c1	197215286	MNNSLDCBQUEBFZ-UHFFFAOYSA-N	241.290	3.652	0	50	BHAA	
CCCCN1CC(C)(C)[C@@H]1c1cccs1	241121901	JEQCWNDZTTVXDN-LBPRGKRZSA-N	223.385	3.931	0	50	BHAA	
CCOC(=O)Nc1ccc(Cl)cc1Cl	397343	ADHVNWDXMAZGKL-UHFFFAOYSA-N	234.082	3.562	0	50	BHAA	
Nc1ccccc1-c1cccc(Cl)c1	2574098	IZZKBNFBRJGJBH-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	
CN(C)[C@@H](CCc1ccccc1)c1ccccc1	32170726	GFGRRRKNHSDLAO-KRWDZBQOSA-N	239.362	3.922	0	50	BHAA	
Oc1ccc(SC2CCCCC2)cc1	34143489	YPOAYIJFILMVRB-UHFFFAOYSA-N	208.326	3.817	0	50	BHAA	
O=C(Nc1cccc2ccccc12)C1CCCC1	363557	OIAFDYISGAVWKU-UHFFFAOYSA-N	239.318	3.969	0	50	BHAA	
CC(=O)C[C@@H](Nc1ccccc1)c1ccccc1	752043	WVOOLSMKIHUDAN-MRXNPFEDSA-N	239.318	3.819	0	50	BHAA	
CCCCCCN(CCCCCC)C(C)=O	1685100	JFUCOPIALLYRGN-UHFFFAOYSA-N	227.392	3.996	0	50	BHAA	
CC(C)(C)C(=O)c1cc2ccccc2o1	20298868	KXBTXZOQWXVVLF-UHFFFAOYSA-N	202.253	3.662	0	50	BHAA	in-vitro
COC(=O)c1cc(F)cc(-c2ccc(C)cc2)c1	97757252	MNZZBOOKCWPVAD-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@H]1C2	100549261	DWGYRUDDSQAWEA-NYDIPFLSSA-N	244.334	3.682	0	50	BHAA	
C[C@@](C(=O)O)(c1ccccc1)C1CCCCC1	6823833	SYUJOANCOQHMKN-OAHLLOKOSA-N	232.323	3.609	0	50	BHAA	
CCOC(=O)c1ccc2c(c1)[C@@H](C)CC(C)(C)N2	32256437	ONRAUCIKLJIWGO-JTQLQIEISA-N	247.338	3.561	0	50	BHAA	
Nc1c(Cl)cc(Cl)c(Cl)c1Cl	33505646	LXCLPHJRGDTDDB-UHFFFAOYSA-N	230.909	3.882	0	50	BHAA	
CCc1cccc(-c2cccc(C(=O)O)c2)c1	65336916	GPPCSEBXFMEWTB-UHFFFAOYSA-N	226.275	3.614	0	50	BHAA	in-vitro
Cc1c(F)cc(Cl)cc1Br	79387445	GJIIZLQZXRJLQM-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
C[C@H](CCC1CC1)Nc1ccc2[nH]ncc2c1	170597519	CPBCZTFMEURICL-SNVBAGLBSA-N	229.327	3.554	0	50	BHAA	
CCCCOc1cc(C)cc(Br)c1	205432293	BCXYQJBIBATXAI-UHFFFAOYSA-N	243.144	3.936	0	50	BHAA	
CC(C)(C)Oc1cc(N)c(Cl)cc1Cl	725349743	HGKGIVZLEGFRMN-UHFFFAOYSA-N	234.126	3.753	0	50	BHAA	
Cc1cc(-c2cc3ncccc3s2)ccc1O	1875342047	VGNDTRMGQDXWEC-UHFFFAOYSA-N	241.315	3.977	0	50	BHAA	
COc1cccc(CNc2ccc(F)cc2C)c1	293378	JYXVHTRONDKBMG-UHFFFAOYSA-N	245.297	3.755	0	50	BHAA	
CCc1cccc(CC)c1NC(=O)N(CC)CC	397161	ICLWFHLKYNELDH-UHFFFAOYSA-N	248.370	3.685	0	50	BHAA	
FC(F)(F)c1cc(-c2ccc(Cl)cc2)[nH]n1	5129339	YEWZHKXOYAEAAS-UHFFFAOYSA-N	246.619	3.749	0	50	BHAA	
CC(C)C(=O)c1ccc(C(F)(F)F)cc1	41228766	QEYDVOACNRUMGV-UHFFFAOYSA-N	216.202	3.544	0	50	BHAA	in-vitro
Cc1ccc(CNc2ccccn2)cc1Cl	195438130	YFVVXIWPZGPTJK-UHFFFAOYSA-N	232.714	3.656	0	50	BHAA	
c1ccc2c(c1)CCN([C@@H]1CCc3ccccc31)C2	225417768	DTWORJYPULNCJR-GOSISDBHSA-N	249.357	3.732	0	50	BHAA	
CCCCOc1ccc2c(C)cc(=O)oc2c1C	2489084	DSKIGNWVOCYLBD-UHFFFAOYSA-N	246.306	3.589	0	50	BHAA	
Cc1cc2ncn(Cc3ccccc3)c2cc1C	2666083	QBSPTCPKPKHYPX-UHFFFAOYSA-N	236.318	3.701	0	50	BHAA	
CCCCc1ccc2ccccc2c1C(=O)O	3683352	SAZAQXCDLPBCLI-UHFFFAOYSA-N	228.291	3.881	0	50	BHAA	
FC(F)(F)c1cccc([C@H]2CCCCCN2)c1	3735038	ATNOGEMZGMOSPA-GFCCVEGCSA-N	243.272	3.910	0	50	BHAA	in-vitro
Brc1cncc(-c2ccccc2)c1	14982300	AWCQJXPOCRXHNK-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
COc1ccc(C(F)(F)F)c(F)c1Cl	261493975	NCEYEWCJCLKBHB-UHFFFAOYSA-N	228.572	3.507	0	50	BHAA	
CC[C@@H]1CCCCN1Cc1ccc(OC)c(C)c1	279402	PMUOMFGRPVAPMX-OAHLLOKOSA-N	247.382	3.768	0	50	BHAA	
CC[C@@H](C)c1ccc(NC(=O)C2CC2)cc1	442521	FFJKVRCOUHEYOK-SNVBAGLBSA-N	217.312	3.549	0	50	BHAA	
CCC(CC)C(=O)Nc1ccccc1Cl	453153	ACDRQDGLSZYRJQ-UHFFFAOYSA-N	225.719	3.715	0	50	BHAA	
CN1c2ccccc2C=C[C@H]1c1ccccc1	2173401	QDGNTAWQJUIARL-INIZCTEOSA-N	221.303	3.891	0	50	BHAA	
CC(=O)OCc1ccc(-c2ccc(C)cc2)cc1	34365019	MJZDHWXNYXSGCN-UHFFFAOYSA-N	240.302	3.725	0	50	BHAA	in-vitro
Cc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1	62532658	QKRZYDGRJYMWEK-UHFFFAOYSA-N	238.290	3.694	0	50	BHAA	
Cc1ccc(Cl)c(C(F)(F)F)c1F	66330479	OXDBCVFGACYJMJ-UHFFFAOYSA-N	212.573	3.806	0	50	BHAA	
Fc1ccc2c(c1)ncn2C1CCCCC1	85477217	YQKDVPQQWNODMT-UHFFFAOYSA-N	218.275	3.681	0	50	BHAA	in-vitro
O=C(O)c1c(-c2cccc(F)c2)coc1C1CC1	725246874	ZNKFPIPQVWDKPO-UHFFFAOYSA-N	246.237	3.661	0	50	BHAA	
O=Cc1cc(-c2ccc(F)c(F)c2F)cs1	725272242	OAYMJRXJBPQEFQ-UHFFFAOYSA-N	242.221	3.645	0	50	BHAA	
Cc1oc(C2CCC2)c(C(=O)O)c1C(C)C	958528925	YPYDZEGDBSYWOJ-UHFFFAOYSA-N	222.284	3.677	0	50	BHAA	
CCCCNCCOc1cc(C(C)C)ccc1C	3000670	ZTANUOHGDCRLCT-UHFFFAOYSA-N	249.398	3.887	0	50	BHAA	
CCc1ccc(NC(=O)c2cccc(C)c2)cc1	4010664	HSWQMZXFLQTWAN-UHFFFAOYSA-N	239.318	3.810	0	50	BHAA	
CC(C)NCc1ccc(-c2ccccc2)cc1	10436130	XAYAMHJQZMRSLF-UHFFFAOYSA-N	225.335	3.852	0	50	BHAA	
Clc1nccc2c(Br)csc12	95707589	SJCZRKWLMNKKIP-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
C[C@@H]1CCc2cc(Cl)c(Cl)cc2N1	95802945	CIQLDQNYJCBJQR-ZCFIWIBFSA-N	216.111	3.740	0	50	BHAA	
C[C@@H]1[C@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C	205122910	BWVZAZPLUTUBKD-PEZGRIKUSA-N	236.399	3.856	0	50	BHAA	endogenous,in-man
CCCCOc1c(F)cc(Cl)cc1F	261494037	OHKGGKQWWXGSNF-UHFFFAOYSA-N	220.646	3.797	0	50	BHAA	
CCn1ncc(-c2cc(C)c(OC)c(C)c2)c1C	2356138412	ANGMKCUDLWALSL-UHFFFAOYSA-N	244.338	3.504	0	50	BHAA	
CCc1ccccc1NC(=O)c1cccs1	240911	LASXMVKOHAACLF-UHFFFAOYSA-N	231.320	3.563	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1	260700	JIRMFNYDKXUIEM-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Nc1ccc(SC(F)(F)F)c(Cl)c1	2556423	BLOPJEJSRKMVSU-UHFFFAOYSA-N	227.638	3.534	0	50	BHAA	
Cc1cccc(C(=O)Nc2c(C)cccc2C)c1	5343348	QIFYWJGCNCSYNT-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
Cc1cc(C)cc(NC(=O)CC2CCCC2)c1	17154626	QUBJHRALNHMLDI-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
CC(C)c1nc2cc(Br)ccc2o1	19088901	JEWWNROYPLFJMP-UHFFFAOYSA-N	240.100	3.714	0	50	BHAA	
Cc1cc(C)c(Br)c(C)c1F	91251920	ZFFSUDYUALDHPF-UHFFFAOYSA-N	217.081	3.513	0	50	BHAA	
[C-]#[N+]c1cc(C(F)(F)F)ccc1Cl	95698041	YIIXVYUXPQFHIO-UHFFFAOYSA-N	205.566	3.910	0	50	BHAA	in-vitro
Fc1cc(Br)c2ccccc2c1	148578191	ANIVZBBYWMPEOI-UHFFFAOYSA-N	225.060	3.741	0	50	BHAA	
CCCOc1cc(Cl)ccc1Br	165913680	QFYYALLYCZHWHJ-UHFFFAOYSA-N	249.535	3.891	0	50	BHAA	
Cc1csc(SC2CCCCC2)n1	253393465	VJVDUKFXPUGLSB-UHFFFAOYSA-N	213.371	3.876	0	50	BHAA	
CC(=O)c1ccc(OCc2ccccc2)cc1C	464892	UGIGSWZYZVRDAK-UHFFFAOYSA-N	240.302	3.777	0	50	BHAA	
c1ccc(CCCn2cnc3ccccc32)cc1	4384954	VVKVZXKIDVBHDW-UHFFFAOYSA-N	236.318	3.669	0	50	BHAA	
Cc1ccc(C(=O)Cc2cccc(F)c2)cc1	34976810	CQMCKZVZAKFLKX-UHFFFAOYSA-N	228.266	3.560	0	50	BHAA	
Fc1cc(Br)ccc1C(F)F	59796820	WRTTUKLMUOEXBS-UHFFFAOYSA-N	225.007	3.526	0	50	BHAA	in-vitro
COC(=O)c1sc2cc(Cl)ccc2c1C	95836063	GIWWBGTXBMMEJL-UHFFFAOYSA-N	240.711	3.650	0	50	BHAA	in-vitro
CCN(CC)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1	170620570	UQTSAPHDPNZMBU-STQMWFEESA-N	239.403	3.707	0	50	BHAA	
CCCOc1c(Cl)ccc(Cl)c1F	261494395	WLAUXHKEGRVTOK-UHFFFAOYSA-N	223.074	3.921	0	50	BHAA	
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	56595	SLUKQUGVTITNSY-UHFFFAOYSA-N	236.355	3.996	0	50	BHAA	biogenic,in-vivo
CC(C)c1ccc([C@@H]2CCCC[C@H]2O)cc1	1708383	DWSGOQPKPDSNPU-LSDHHAIUSA-N	218.340	3.829	0	50	BHAA	
C[C@H]1CC[C@@H](c2cn(C)c3ccccc23)C(=O)C1	4709855	HETUGDMZJTWSEZ-AAEUAGOBSA-N	241.334	3.651	0	50	BHAA	
c1cncc(CCCCCCc2cccnc2)c1	8701033	RHEQMMSRFLHQFB-UHFFFAOYSA-N	240.350	3.822	0	50	BHAA	
CC(C)=CCC[C@@H](C)NCCC[C@@H]1CCOC1	20999764	WXWCRVKRXILBDY-HUUCEWRRSA-N	239.403	3.528	0	50	BHAA	
Clc1ccc2nc(Cl)c(Cl)nc2c1	1081508	GZEGFNCRZUGIOB-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	
Cc1cc(C)cc(C(=O)c2ccccc2C)c1	2173041	KEMIPSASVMIWCT-UHFFFAOYSA-N	224.303	3.843	0	50	BHAA	
Cc1ccc([C@@H](O)c2cccc(Cl)c2)cc1	4242616	RYQYUYPWBNYUNP-CQSZACIVSA-N	232.710	3.730	0	50	BHAA	
Cc1ccc2[nH]nc(-c3ccccc3)c2c1	8018810	BKFJFOATAKURAK-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	
CCCCCCc1cc(=O)c2ccccc2[nH]1	32198390	DBFMEGDHHAYDPJ-UHFFFAOYSA-N	229.323	3.651	0	50	BHAA	
c1ccc(CN[C@H]2CC[C@@H]2c2ccccc2)cc1	888093267	RDQIJTUJJKZYSB-SJORKVTESA-N	237.346	3.722	0	50	BHAA	
CC1(C)CC[C@H]2CCNc3cccc1c32	1775956664	WBGDVLHERVJUAC-JTQLQIEISA-N	201.313	3.657	0	50	BHAA	
c1ccc(-c2noc(CCC3CCCC3)n2)cc1	2365757	REAPJIGXOOKKNK-UHFFFAOYSA-N	242.322	3.859	0	50	BHAA	
Cc1cc(C)c2c(Br)ccnc2c1	32099846	OLXVUFILQVHTOS-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	in-vitro
Cc1ccsc1CN(C)[C@@H](C)c1ccccn1	65500867	VJQVBBCNYICFSA-LBPRGKRZSA-N	246.379	3.645	0	50	BHAA	
FC(F)(F)c1ccccc1Oc1ccncc1	71773177	IWKUZEUBDLUQES-UHFFFAOYSA-N	239.196	3.893	0	50	BHAA	
CC[C@H]1CCCCN1Cc1cccc(N(C)C)c1	170639502	MEWFHGNAMDRILI-HNNXBMFYSA-N	246.398	3.517	0	50	BHAA	
Cc1ccccc1C1SCCCS1	376667	ZQGJMYWTHIUNBD-UHFFFAOYSA-N	210.367	3.864	0	50	BHAA	
CCc1ccccc1-c1cccc(C(=O)OC)c1	1256798	LWOGCNOJMZVQPB-UHFFFAOYSA-N	240.302	3.703	0	50	BHAA	
CC(C)(C)OC(=O)Nc1cccc2[nH]ccc12	2540590	KOKLMCWYZCHYEO-UHFFFAOYSA-N	232.283	3.515	0	50	BHAA	in-vitro
O=C(O)c1cccc2c1oc1ccc(Cl)cc12	4798198	QFWVXESJKYMKIN-UHFFFAOYSA-N	246.649	3.938	0	50	BHAA	
C[C@@H](Cc1ccsc1)n1ccnc1C1CC1	71777136	KXRWLZVFFWRICQ-JTQLQIEISA-N	232.352	3.626	0	50	BHAA	
Clc1cc2cnccc2cc1Br	116553650	MDVYTGOMIMUNHS-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CC1(C)CC[C@H](C(=O)O)[C@@H](c2ccccc2)C1	127750638	CNJNOTDRZQGNMD-QWHCGFSZSA-N	232.323	3.681	0	50	BHAA	
Cc1cc(Cl)cc2cc(Br)[nH]c12	238507652	ZDSXXGOLDXXDKM-UHFFFAOYSA-N	244.519	3.892	0	50	BHAA	
CCOc1ccc(Cl)cc1C(F)(F)F	261494278	UAXQMESMGVSGLG-UHFFFAOYSA-N	224.609	3.758	0	50	BHAA	
Cc1cnnc(-c2cc3ccccc3o2)c1C	2356142286	MGNGJVSGLGSGDW-UHFFFAOYSA-N	224.263	3.507	0	50	BHAA	
O=C(O)CCCc1ccc(-c2ccccc2)cc1	2585505	XSFAQQLHYUBFKV-UHFFFAOYSA-N	240.302	3.761	0	50	BHAA	in-vitro
C=C[C@@H](CCC(=C)C)[C@@H](C(=O)O)C(C)C	43198922	CXLKJULDNNMQCF-RYUDHWBXSA-N	210.317	3.502	0	50	BHAA	
CC(F)(F)c1ccc(F)c(Br)c1	63361097	TXLFKKQZPURBRK-UHFFFAOYSA-N	239.034	3.700	0	50	BHAA	in-vitro
ClC1=C[C@H]2[C@H]3C=C[C@@H](c4ccccc43)[C@H]12	254814438	FNVIXLXSKVBQTP-MNXVOIDGSA-N	214.695	3.806	0	50	BHAA	
CC(=O)c1ccc(Cl)c(Cl)c1Cl	56484	BXJZZJYNVIDEKG-UHFFFAOYSA-N	223.486	3.849	0	50	BHAA	in-vitro
O=Cc1ccc(-c2ccc(Cl)cc2)s1	2385701	JFAKPLYPDADDKE-UHFFFAOYSA-N	222.696	3.881	0	50	BHAA	in-vitro
Cc1ccc2nc(Cl)cc(Cl)c2c1	3850747	GLYIJJUSFYXLNF-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	biogenic,in-vitro
Fc1cc(Cl)cc(NCc2cncs2)c1	124906030	ACUBFQUSFTXUPW-UHFFFAOYSA-N	242.706	3.548	0	50	BHAA	
CC(F)(F)c1ccc(C(=O)C(F)(F)F)cc1	604221802	KYDCTHRXLWPKFD-UHFFFAOYSA-N	238.155	3.543	0	50	BHAA	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1	111420	VFEHOBXXLPHSOI-UHFFFAOYSA-N	227.691	3.687	0	50	BHAA	in-vitro
c1ccc([C@H]2OCCO[C@@H]2c2ccccc2)cc1	399755	NDNXQPJDCKRZEK-HZPDHXFCSA-N	240.302	3.516	0	50	BHAA	
c1c[nH]c(-c2ccc(-c3ccc[nH]3)s2)c1	2518931	APAPAQLAGBRINC-UHFFFAOYSA-N	214.293	3.738	0	50	BHAA	
S=C1OC2(CCCCC2)C2(CCCCC2)O1	39375099	WMQJQGSEVSZSCV-UHFFFAOYSA-N	240.368	3.724	0	50	BHAA	
Clc1ccc2[nH]ccc2c1Br	115172248	YCQQCNILVIDAPA-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	
CC1(C)CC[C@@H](C(=O)O)[C@H](c2ccccc2)C1	127750417	CNJNOTDRZQGNMD-OLZOCXBDSA-N	232.323	3.681	0	50	BHAA	
Fc1cc(Br)c(C(F)F)cc1F	263623903	LRGKABKXHJDBJW-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
Cc1occc1-c1noc(/C=C2/CC[C@@H](C)C2)n1	331603711	PJUQELGGKHFPEF-LZUGORFDSA-N	244.294	3.841	0	50	BHAA	
Fc1cc(Cl)c(-c2cc[nH]n2)c(Cl)c1	725273410	ZASMGGIVMKROKW-UHFFFAOYSA-N	231.057	3.523	0	50	BHAA	
Cc1c(C(=O)O)sc2ccc(Cl)cc12	161930	KEYCXZNZFABITO-UHFFFAOYSA-N	226.684	3.561	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)CC(C)(C)C)cc1C	373332	UJMGEQKWJNWGRY-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
Cc1cc2nc(-c3ccccc3O)[nH]c2cc1C	393644	NAYVWQJEVVYUAR-UHFFFAOYSA-N	238.290	3.552	0	50	BHAA	
CCCCC(=O)c1ccc(Br)cc1	1707942	STYJKBMRWQQJIS-UHFFFAOYSA-N	241.128	3.822	0	50	BHAA	in-vitro
O=NN(C1CCCCC1)C1CCCCC1	16889804	CYMNKXLBEMEABS-UHFFFAOYSA-N	210.321	3.635	0	50	BHAA	in-vitro
CC(C)(C)C(=O)CSc1nc2ccccc2o1	617758	FBAFBGIMFKZAFI-UHFFFAOYSA-N	249.335	3.535	0	50	BHAA	
CC(C)C[C@H](N)c1ccccc1N1CCCCC1	2512947	CARYLRSDNWJCJV-HNNXBMFYSA-N	246.398	3.723	0	50	BHAA	in-vitro
CCC(CC)NC(=O)Nc1cccc(C)c1C	6741080	ULJPRZWLMQAXOS-UHFFFAOYSA-N	234.343	3.614	0	50	BHAA	
Brc1cnc(-c2ccccc2)s1	44119579	QCVVLWIDBXNFEO-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	in-vitro
C[C@@H]1O[C@H]2c3ccccc3-c3ccccc3[C@H]2O1	257358657	VRYLVKXWBJOCBU-ASENMTNGSA-N	238.286	3.842	0	50	BHAA	
COc1cncc(-c2cccc(Cl)c2F)c1	669381124	YSOUJWDWPJNHMJ-UHFFFAOYSA-N	237.661	3.550	0	50	BHAA	
c1ccc(-c2nccnc2-c2ccccc2)cc1	102690	PTZIVVDMBCVSMR-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	endogenous,in-man
Cc1c(Cl)cccc1NC(=O)c1ccccc1	283997	YYBZYCYXYZUIHL-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
c1ccc(-c2cnc(-c3ccccc3)cn2)cc1	331488	MSZQCNIEXFAWKV-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
CC1=C[C@@H](C)CN(C23CC4CC(CC(C4)C2)C3)C1	65336783	DCNOQQYZSSDGSB-LMWIKNPDSA-N	245.410	3.853	0	50	BHAA	
Oc1ccc(-c2ccnc3[nH]ccc23)cc1Cl	72144787	VHBNSLCRWBOXEO-UHFFFAOYSA-N	244.681	3.589	0	50	BHAA	
Cc1cccc(C(=O)Nc2ccc(C)cc2C)c1	73253	ULCHWXGDMMMMPC-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
CC(C)n1c(C(F)(F)F)nc2ccccc21	462596	BNUJFALFEOMJIO-UHFFFAOYSA-N	228.217	3.636	0	50	BHAA	
Cc1ccccc1NC(=O)c1ccc(F)cc1F	4851880	INXMHVVMEAOLLY-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Cc1ccc(F)c(-c2ccc(O)cc2)c1	65339942	ILIAEZGUTJKNIB-UHFFFAOYSA-N	202.228	3.507	0	50	BHAA	
COc1cccnc1-c1c(C)cc(C)cc1C	65406442	PIULJTHWFRVXHZ-UHFFFAOYSA-N	227.307	3.682	0	50	BHAA	
c1ccc(-c2csc(-c3cccnc3)n2)cc1	81502	JDMNBLHGHILQCV-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
CC(C)CCc1ccc([C@H](C)CC(=O)O)cc1	392258	ANHVCHYRRRCGAF-GFCCVEGCSA-N	234.339	3.853	0	50	BHAA	
Cc1ccc(-c2cccc(C(=O)O)c2)cc1C	2529001	QCNROSMDZFNPPB-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
CSc1[nH]c(-c2ccccc2)cc1C(C)=O	2754699	SXAKEHSGWXMWFG-UHFFFAOYSA-N	231.320	3.606	0	50	BHAA	
COc1ccc2[nH]c3c(C)ccc(C)c3c2c1	4089483	JYCYJKQLGQKTRX-UHFFFAOYSA-N	225.291	3.947	0	50	BHAA	in-vitro
CCCC(CCC)C(=O)Nc1ccc(OC)cc1	4868876	SQAGUOREACUYAV-UHFFFAOYSA-N	249.354	3.850	0	50	BHAA	
CC1(C)C=C[C@@H](OC(=O)Nc2ccccc2)CC1	43214773	LGNCTOIGAWLNPK-CYBMUJFWSA-N	245.322	3.980	0	50	BHAA	
CC(C)(O)c1ccc2c(c1)CCc1ccccc1-2	45071289	VBWARDKZLZTHCC-UHFFFAOYSA-N	238.330	3.680	0	50	BHAA	
Cc1cc(Br)cc(OCC2CC2)c1	65337309	AEYSSTBYFPNCOL-UHFFFAOYSA-N	241.128	3.546	0	50	BHAA	in-vitro
CC(C)(c1ccccc1)c1ccc(C(=O)O)cc1	71778011	SGNXBLNCNPOEDO-UHFFFAOYSA-N	240.302	3.711	0	50	BHAA	
C[C@H]1CCCC[C@@H]1Oc1ccc(CCCO)cc1	584907168	ZIKTUEUPTXROBT-BBRMVZONSA-N	248.366	3.569	0	50	BHAA	
Cc1c[nH]c2nccc(-c3ccc4ncoc4c3)c12	2325861423	PEYBJAXAHBXKNC-UHFFFAOYSA-N	249.273	3.680	0	50	BHAA	
CCC(C)(C)C(=O)Nc1ccc(Cl)cc1	373135	IUBXADUGJHNQPT-UHFFFAOYSA-N	225.719	3.715	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)C1CCCC1	441439	VJFLGNYGTXOAMK-UHFFFAOYSA-N	237.730	3.777	0	50	BHAA	
CCc1ccccc1NC(=O)N[C@@H](C)C(C)(C)C	13323619	ORVSYUBOOWVTPM-NSHDSACASA-N	248.370	3.805	0	50	BHAA	
CC(C)N(C)CCNc1cccc2ccccc12	71773059	XMBUEPWDHDSEIM-UHFFFAOYSA-N	242.366	3.592	0	50	BHAA	
c1ccc(CNc2ccc3ncsc3c2)cc1	225767882	UDSGWJLBXFNIRA-UHFFFAOYSA-N	240.331	3.908	0	50	BHAA	
CC(=O)c1cc(C)cc(Cl)c1Cl	263624790	UFMDTFFHDVALNH-UHFFFAOYSA-N	203.068	3.504	0	50	BHAA	
C1=C(COc2ccc([C@H]3CCOC3)cc2)CCC1	647158556	QLAWFAWEUMXWTN-HNNXBMFYSA-N	244.334	3.680	0	50	BHAA	
c1ccc2c(NCc3ccncc3)cccc2c1	197181	FATYWRSQANLOKG-UHFFFAOYSA-N	234.302	3.847	0	50	BHAA	
CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccccc1	3159825	OZRKJNXJNJNGBS-OCCSQVGLSA-N	231.339	3.697	0	50	BHAA	
CCOc1ccc(OCC)c2ccccc12	14612238	LJSLYKNKVQMIJY-UHFFFAOYSA-N	216.280	3.637	0	50	BHAA	
Cc1ccc(-c2nc3ccccc3s2)cc1N	154830	RLYKSASURFRWIY-UHFFFAOYSA-N	240.331	3.854	0	50	BHAA	
CCCCN(CC)C(=O)c1ccc(Cl)cc1	2743523	CKVXMCCRBQYGDV-UHFFFAOYSA-N	239.746	3.602	0	50	BHAA	
CCN(C(=O)c1cccs1)c1cccc(C)c1	4820927	YFJNAIMKFSZOKA-UHFFFAOYSA-N	245.347	3.723	0	50	BHAA	
Cc1cc(Cl)ccc1NC(=O)c1ccccc1	401495	HQZJADWYJPOLOY-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
C[C@H](c1ccccc1)[C@H](C(=O)O)c1ccccc1	409632	MCGRLJUUNBDQTF-DOMZBBRYSA-N	240.302	3.659	0	50	BHAA	biogenic
c1cc2c(cc1NC1CCCCCCC1)OCO2	433497	KFTLUFBBWKVTLZ-UHFFFAOYSA-N	247.338	3.940	0	50	BHAA	
Cn1nc(Cl)c(Cl)c1Oc1ccccc1	1387256	AJMJPXACOXZQRW-UHFFFAOYSA-N	243.093	3.519	0	50	BHAA	
CC(C)c1cccc(OCCCCN(C)C)c1	2822597	OOAPZUSKZNTZKO-UHFFFAOYSA-N	235.371	3.531	0	50	BHAA	
CCN(CC)CCOc1cccc2ccccc12	4989728	ALOFBRSENDRHPV-UHFFFAOYSA-N	243.350	3.560	0	50	BHAA	
CCc1ccc(NC(=O)NC(C)(C)CC)cc1	6742149	ICDFNKLDEHBRNU-UHFFFAOYSA-N	234.343	3.559	0	50	BHAA	
CCc1cc(C(=O)O)c2c(c1)[C@@H](C)CC(C)(C)N2	9264534	LFLSXUKCWKQWAB-VIFPVBQESA-N	247.338	3.645	0	50	BHAA	
Nc1ccc(Cl)c(OCc2ccccc2)c1	39329706	DHCZZVVRBZUONT-UHFFFAOYSA-N	233.698	3.501	0	50	BHAA	in-vitro
Cc1ccc(-c2cc(C=O)cc(Cl)n2)cc1	43162862	KGOOPCGTEHOUHX-UHFFFAOYSA-N	231.682	3.523	0	50	BHAA	
Cc1c2ccc(=O)ccc2c(C)n1-c1ccccc1	307872	WUIVKHCGYFYDOF-UHFFFAOYSA-N	249.313	3.608	0	50	BHAA	
CC(C)(C)CC(=O)Nc1cccc2c1CCCC2	6304963	GOFZQMGXKOBRKE-UHFFFAOYSA-N	245.366	3.940	0	50	BHAA	
CC(C)(C)CC(C)(C)NCc1ccco1	6729923	QIGYZLQUYNGHFU-UHFFFAOYSA-N	209.333	3.584	0	50	BHAA	
Cc1nccc(-c2cc(Cl)ccc2Cl)n1	65366290	PSFVSDHNJZKGGY-UHFFFAOYSA-N	239.105	3.759	0	50	BHAA	
Clc1cc2ccc(Br)cc2cn1	66322813	GPICPAIKTJPYEE-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
Cc1cc(-c2cccc(O)c2F)cs1	725270860	TWSAVUYWQBWGOV-UHFFFAOYSA-N	208.257	3.568	0	50	BHAA	
CCC(C)(C)[C@@H]1CCC(=O)C[C@H]1SC	725358969	ARBOCMLOWWDZOW-GHMZBOCLSA-N	214.374	3.523	0	50	BHAA	
CC[C@@H](C)NC(=O)Nc1ccc2ccccc2c1	284702	PLRMKBCOPMSENY-LLVKDONJSA-N	242.322	3.760	0	50	BHAA	
Cc1ccccc1C(=O)Nc1c(C)cccc1C	363257	LJKPEPJBLNQBBK-UHFFFAOYSA-N	239.318	3.864	0	50	BHAA	
C[C@H]1c2ccccc2-c2ccc(C(=O)O)cc21	391650	ACVPSAXOHIZCDV-VIFPVBQESA-N	224.259	3.517	0	50	BHAA	
O=C(c1ccc(F)cc1)c1ccccc1Cl	394857	DODIKYQYCCFWRZ-UHFFFAOYSA-N	234.657	3.710	0	50	BHAA	in-vitro
CCCCNC(=O)Nc1ccc(C)c(Cl)c1	1640167	MQLLCOMAMCZGLC-UHFFFAOYSA-N	240.734	3.570	0	50	BHAA	
COc1ccc(CNC2CCCCCC2)cc1	4989305	RZCUDZSCQFBDTK-UHFFFAOYSA-N	233.355	3.508	0	50	BHAA	
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1	5387628	DZQLVVLATXPWBK-UHFFFAOYSA-N	234.258	3.976	0	50	BHAA	in-vitro
CC[C@H](O)c1nc2ccccc2n1CCC(C)C	7548679	SMFXJSADFFRQKW-AWEZNQCLSA-N	246.354	3.526	0	50	BHAA	
CCN(CC)CC12CC3C[C@H](CC[C@@H](C3)C1)C2	100328691	VTCLPQXNXHFEKX-FXQLRMTLSA-N	235.415	3.935	0	50	BHAA	
CCN(CCOc1ccccc1)c1ccccc1	397039	KKHWAYLPKGKYTI-UHFFFAOYSA-N	241.334	3.592	0	50	BHAA	
Clc1ccccc1[C@H]1CCCCCN1	4234912	GSPTWJCZHYXZHW-GFCCVEGCSA-N	209.720	3.545	0	50	BHAA	in-vitro
C[C@@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@H]1C[C@H]32	100561585	VNZLCOOICNIDQE-DCXAKIHSSA-N	244.334	3.571	0	50	BHAA	
CCc1ccc(Oc2ccc(C(C)=O)cn2)cc1	212863302	QQNQHARSYJTBQD-UHFFFAOYSA-N	241.290	3.639	0	50	BHAA	
CCO[C@@H](C)c1ccc(-c2ncccc2O)cc1	426551419	ZYFYKVZCSOLEIQ-NSHDSACASA-N	243.306	3.552	0	50	BHAA	
CC(=O)c1ccc(-c2ccc3c(n2)CCC3)s1	426613682	VDMBCJUXYBVDJD-UHFFFAOYSA-N	243.331	3.501	0	50	BHAA	
Oc1ccc(-c2ccc3c(c2)NCCCC3)cc1	1875342147	ZVHWFRBDMZENAW-UHFFFAOYSA-N	239.318	3.807	0	50	BHAA	
Cc1ccc2ncnc(Nc3ccccc3)c2c1	122202	JFDWMFYUKLPRSP-UHFFFAOYSA-N	235.290	3.682	0	50	BHAA	
Oc1cccc2ccc(Cc3ccccc3)nc12	399961	MUZDCUCNUGGDMA-UHFFFAOYSA-N	235.286	3.531	0	50	BHAA	
CCCCNC(=O)Nc1c(C)cccc1Cl	1739831	JFFYBBBWSGVOIY-UHFFFAOYSA-N	240.734	3.570	0	50	BHAA	
O=C(O)c1ccc(SCc2ccccc2)cc1	1750466	BIGZCUUCDAVUIJ-UHFFFAOYSA-N	244.315	3.677	0	50	BHAA	
CC(C)(C)[C@H]1CCc2sc(C(=O)O)cc2C1	2522249	VDSYCTWGBTXSEX-VIFPVBQESA-N	238.352	3.597	0	50	BHAA	in-vitro
Clc1nc(Cl)c2c(Cl)cccc2n1	26894517	PIEAAARUUJGZGF-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	in-vitro
CC(C)[C@H](C)n1ncc2[nH]c(CC(C)(C)C)nc21	48170761	SXOHCVPCQGHLKC-JTQLQIEISA-N	248.374	3.565	0	50	BHAA	
CC[C@@H](C)c1ccc(Br)cc1	55161279	DGZQEAKNZXNTNL-MRVPVSSYSA-N	213.118	3.963	0	50	BHAA	in-vitro
CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3O)[C@H]1C2	101155250	DWGYRUDDSQAWEA-MXZCIGPVSA-N	244.334	3.682	0	50	BHAA	
O=Cc1cccnc1Sc1ccc(Cl)cc1	168669	QFMSNZPFOLUHPE-UHFFFAOYSA-N	249.722	3.699	0	50	BHAA	
c1ccc(-c2ccc(-c3ccccc3)nn2)cc1	331490	ZLGKXPUBXWXTQF-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
O=C(O)/C=C1\C=CC[C@@H](c2ccc(Cl)cc2)C1	5896037	DOQSQCSWPIJYNF-BZYZDCJZSA-N	248.709	3.785	0	50	BHAA	
Nc1cncc(-c2cccc(Cl)c2Cl)c1	32498414	KOSUJWMXZYHSDZ-UHFFFAOYSA-N	239.105	3.638	0	50	BHAA	
N#CC(C#N)=C1C(Cl)=C(Cl)c2ccccc21	51758	OUWNKQWLOLTVLU-UHFFFAOYSA-N	247.084	3.647	0	50	BHAA	
CCCC(=O)Nc1ccc(Cl)c(Cl)c1	362863	NNIIRGXUFKHOKI-UHFFFAOYSA-N	232.110	3.732	0	50	BHAA	
CC[C@@H](NC(=O)C(C)(C)C)c1ccc(C)cc1C	67982650	KGXOEZDWLXKXKM-CQSZACIVSA-N	247.382	3.917	0	50	BHAA	
Fc1cc(Br)cc(F)c1C(F)F	77012028	KAXWWASZWQHCBC-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
CCSc1cccc(C(F)(F)F)c1	95147693	HIAGQDRTGGYWJW-UHFFFAOYSA-N	206.232	3.817	0	50	BHAA	
CC1(C)CCSc2c(Cl)cc(C=O)cc21	114356356	CFFMVZHVWSUYGT-UHFFFAOYSA-N	240.755	3.926	0	50	BHAA	
FC(F)(F)c1ccncc1-c1ccccc1	115717921	OICFUBOAGFZEKK-UHFFFAOYSA-N	223.197	3.767	0	50	BHAA	
C[n+]1c(-c2ccccc2)cccc1-c1ccccc1	3091408	QAZQOGYDGVYGHE-UHFFFAOYSA-N	246.333	3.845	0	50	BHAA	
Cc1ccc(NCCNc2ccc(C)cc2)cc1	3160492	CSFJHJLPCWAQHC-UHFFFAOYSA-N	240.350	3.827	0	50	BHAA	
CCN(CC)CCCOc1c(C)ccc(C)c1C	22064578	HUAYRQJDTBMINQ-UHFFFAOYSA-N	249.398	3.723	0	50	BHAA	
CCCC(=O)Nc1c(C)ccc2nc(C)ccc12	67631062	IUBDMFYLGIJGMW-UHFFFAOYSA-N	242.322	3.590	0	50	BHAA	
COC(=O)c1ccc2oc(C(C)(C)C)cc2c1	114964378	BAACDNRVIKMZPS-UHFFFAOYSA-N	232.279	3.517	0	50	BHAA	
FCc1c(Br)ccc(Cl)c1F	217450262	UWGPOEGNEIYUMW-UHFFFAOYSA-N	241.462	3.711	0	50	BHAA	
Cc1cnc(OC2CCCCC2)c(Cl)c1	261493445	BFNVQYSZOPUGGI-UHFFFAOYSA-N	225.719	3.755	0	50	BHAA	
CC(=O)Nc1ccccc1Sc1ccccc1	265052	UYBXGTHDRYRWFD-UHFFFAOYSA-N	243.331	3.796	0	50	BHAA	
Cc1ccc(NC(=O)OCc2ccco2)c(C)c1	397252	ISKNXKIXDTVWTB-UHFFFAOYSA-N	245.278	3.645	0	50	BHAA	
Oc1cccc2ccc(C(F)(F)F)cc12	166381236	ARXBXFHKYFGTOD-UHFFFAOYSA-N	212.170	3.564	0	50	BHAA	
Cc1cc(Br)cc(OCC(C)C)c1	261493515	CONUSCXIJOFPTQ-UHFFFAOYSA-N	243.144	3.792	0	50	BHAA	
CCCS[C@H]1CC(=O)CCC12CCCC2	725363009	WLMAKHZCOATUDD-LBPRGKRZSA-N	226.385	3.812	0	50	BHAA	
CC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1	109211	AGOPRFPFSYTJNX-UHFFFAOYSA-N	245.244	3.690	0	50	BHAA	in-vitro
O=C(COc1ccccc1Cl)c1ccccc1	476509	KGHKDTKCPWYXJA-UHFFFAOYSA-N	246.693	3.602	0	50	BHAA	
CC(C)[C@H]1CC(C)(C)c2ccc(O)cc21	1469210	RJBAMTHSSMILQI-GFCCVEGCSA-N	204.313	3.813	0	50	BHAA	
CC(C)[C@@H](C)Nc1nnc(-c2ccccc2)s1	170623488	HARDDADPVCMWKX-SNVBAGLBSA-N	247.367	3.662	0	50	BHAA	
COc1cc(Cl)c(Cl)cc1OC(F)F	263625385	ZJZLSZWVOALQJA-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
Cc1nc2sc3ccccc3c2s1	264428	DGZGWGGAYOJVBV-UHFFFAOYSA-N	205.307	3.819	0	50	BHAA	
Cc1ccc2oc(-c3ccc(F)cc3)nc2c1	367692	GOANJVMUGIYXOQ-UHFFFAOYSA-N	227.238	3.942	0	50	BHAA	
Cc1cc(C)c2nc(NC(=O)C(C)C)sc2c1	452239	WFKLJBGXAMRMLT-UHFFFAOYSA-N	248.351	3.508	0	50	BHAA	
Clc1ccc(Br)c2ccncc12	19721795	RRKXGHIWLJDUIU-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
c1coc(C2(N3CCCCC3)CCCCC2)c1	34006227	HSNWEYLAVCYNFW-UHFFFAOYSA-N	233.355	3.925	0	50	BHAA	
CC[C@H](C)Nc1snc2ccccc12	60248778	BDZLLSQFVYYANY-QMMMGPOBSA-N	206.314	3.507	0	50	BHAA	
Cc1ccc2cc(C)c(-c3ccncc3)nc2c1	67894700	IUZLULLSPJJGCC-UHFFFAOYSA-N	234.302	3.914	0	50	BHAA	
O=C1C[C@@H]2CCCC[C@H]2c2ccccc21	1564628	KIZNQTIYWIVDBA-WDEREUQCSA-N	200.281	3.547	0	50	BHAA	
c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccccc21	2510337	QWQGGLGOFRUHPH-HDICACEKSA-N	249.357	3.951	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2C)c(F)c1	7814535	AYHHBHNZIXWSBL-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
CCC1CCC(C2CCC(=O)CC2)CC1	21989187	ICCIOWLZPJIEBA-UHFFFAOYSA-N	208.345	3.962	0	50	BHAA	
Cc1cc2c(c(N)c1C)[C@H](C)CC2(C)C	669374494	IFIVKDLHSYUBDO-SECBINFHSA-N	203.329	3.670	0	50	BHAA	
Cc1nc2cc(-c3cccc(O)c3)ccc2s1	1240924210	GQNBDOJBMGJKDT-UHFFFAOYSA-N	241.315	3.977	0	50	BHAA	
CC[C@@H](C)NCCCCOc1cc(C)ccc1C	2823844	MTBJAXNPFALDNI-OAHLLOKOSA-N	249.398	3.851	0	50	BHAA	
Brc1ccc(-c2ccccc2)nc1	12359493	PRNGIODVYLTUKH-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	in-vitro
c1cc([C@H]2CC[C@@H](c3ccncc3)C2)ccn1	18085367	HAFLCZNYGBYLEE-GASCZTMLSA-N	224.307	3.528	0	50	BHAA	
Cc1cc(Cl)nc2c(Cl)cccc12	32238264	UMOSKQVVUXLDMD-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	
CC(C)(C)OCc1ccccc1Br	49601128	WZGZWOFWQZGSSX-UHFFFAOYSA-N	243.144	3.764	0	50	BHAA	
Clc1cc2c(Br)cccc2cn1	71789936	WSNRPWWRYCNOJB-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CCc1ccccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2	101747803	NRSVTLCAUHRCIH-UBHSHLNASA-N	243.350	3.624	0	50	BHAA	
CC(=O)Nc1cc(N[C@H](C)C2CCC2)ccc1C	182962780	UZOCDPXPJSDYRV-LLVKDONJSA-N	246.354	3.554	0	50	BHAA	
Cc1c(F)cc2c(c1N)[C@H](C)CC2(C)C	669374655	LRXUFCWTEUBCLB-SSDOTTSWSA-N	207.292	3.501	0	50	BHAA	
Clc1nnc(-c2ccccc2)c2ccccc12	390843	WJJDLSHYLZRFDD-UHFFFAOYSA-N	240.693	3.950	0	50	BHAA	
Clc1cccc(-c2cn3ccccc3n2)c1	433056	JHNKFDLSIDBLGE-UHFFFAOYSA-N	228.682	3.655	0	50	BHAA	
C1=Cc2ccc(cc2)CCc2ccc1cc2	3136865	AOOVJJOVZSGYIH-UHFFFAOYSA-N	206.288	3.956	0	50	BHAA	
C[C@H](NCc1ccccc1)c1ccccc1	12360037	ZYZHMSJNPCYUTB-ZDUSSCGKSA-N	211.308	3.537	0	50	BHAA	in-vitro
Clc1ccc([C@H]2NCCc3ccccc32)cc1	19624679	UIBYAOPNXNPUEU-OAHLLOKOSA-N	243.737	3.575	0	50	BHAA	
c1cc(CCCCCCc2ccncc2)ccn1	34571766	JIBHAOWVMWFLDU-UHFFFAOYSA-N	240.350	3.822	0	50	BHAA	
O=Cc1ccc(-c2ccnc3ccccc23)cc1	143906862	NJTDQZLODVDZSB-UHFFFAOYSA-N	233.270	3.714	0	50	BHAA	
Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1	9350	BPPGPYJBCVXILI-UHFFFAOYSA-N	246.741	3.506	0	50	BHAA	in-vitro
Clc1cc(Cl)cc(-n2cccc2)c1	139393	IEWRGYRCGQVEMJ-UHFFFAOYSA-N	212.079	3.784	0	50	BHAA	in-vitro
COc1cccc(CNc2cc(C)cc(C)c2)c1	263090	YKYOCBJWMPINAU-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
COc1cccc(Nc2ccccc2C)c1	291785	JPNDEZIQZCCRSO-UHFFFAOYSA-N	213.280	3.747	0	50	BHAA	
CC1(C)CC[C@@]2(C)CC[C@@](C)(O)C[C@@H]2C1	5231408	QUCPCNJRVITJTP-FPMFFAJLSA-N	210.361	3.754	0	50	BHAA	
Cc1cccc(-c2cccc(CC(=O)O)c2)c1C	313562996	HNPWHAZRTQVBER-UHFFFAOYSA-N	240.302	3.598	0	50	BHAA	
Cc1ccc(C)c(-c2cccc3nc(C)cn23)c1	426551951	IMIVLRXSZHLPKA-UHFFFAOYSA-N	236.318	3.927	0	50	BHAA	
Cc1ccc(C)n1CCc1c[nH]c2ccccc12	260265	DVRSFBAQFCZILZ-UHFFFAOYSA-N	238.334	3.829	0	50	BHAA	biogenic
CC[C@H](C)c1ccccc1OCCCN(C)C	2824857	XRRHNBLBGUKSIC-ZDUSSCGKSA-N	235.371	3.531	0	50	BHAA	
Clc1cccc(Cn2cnc3ccccc32)c1	4385640	QHYIRANSSQXDBU-UHFFFAOYSA-N	242.709	3.738	0	50	BHAA	
CCc1cccc(CC)c1NC(=O)C(C)(C)C	5717516	RBDRZJCCPUGLOA-UHFFFAOYSA-N	233.355	3.796	0	50	BHAA	
c1ccc(CNC2(Cc3ccccc3)CC2)cc1	187492220	FTZIUOIEITXMMB-UHFFFAOYSA-N	237.346	3.552	0	50	BHAA	
O=c1cc(-c2cccs2)oc2ccccc12	78610	FPRZYWRWYPZUQP-UHFFFAOYSA-N	228.272	3.522	0	50	BHAA	
CCC(CC)C(=O)Nc1ccc(C)cc1C	361847	RIMVIYULLZVXTN-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
Cc1ccc(-c2cccc(F)c2)cc1F	112733492	PBVDKAFJWDAFFQ-UHFFFAOYSA-N	204.219	3.940	0	50	BHAA	
c1cnc2c(-c3cccc4[nH]ncc34)cccc2c1	644615169	PELBZOASOOZPCN-UHFFFAOYSA-N	245.285	3.778	0	50	BHAA	
Fc1cccc([C@H]2CCCN2c2nccs2)c1	917093970	ZUYATRSHYVHJLT-GFCCVEGCSA-N	248.326	3.624	0	50	BHAA	
CCN(C(=O)c1ccc(C)cc1)c1ccccc1	408066	UOEAGTMEHKGTNU-UHFFFAOYSA-N	239.318	3.662	0	50	BHAA	
CCCCCC/C(C)=C(\C)C(=O)OCC	3074853	CNCNQZHKLDLKTF-VAWYXSNFSA-N	212.333	3.856	0	50	BHAA	
CSc1ccc(OC(F)(F)F)c(S)c1	71792022	LCOZOPWZEBCVSU-UHFFFAOYSA-N	240.271	3.596	0	50	BHAA	
Cc1nc(-c2ccc(Cl)c(F)c2)ccc1O	2356135818	USLCECIERFUZQB-UHFFFAOYSA-N	237.661	3.555	0	50	BHAA	
Cc1cc(Nc2ccccc2)n(-c2ccccc2)n1	432425	VVRWXGLTTNAKPE-UHFFFAOYSA-N	249.317	3.924	0	50	BHAA	
Brc1csc(-c2ccccc2)n1	36468021	XGBWZNGTYRKKFE-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	
CCC(C)(C)C1CCC([C@H](C)C(=O)O)CC1	86717560	ZVWAFVWILOBXTL-UNXYVOJBSA-N	226.360	3.950	0	50	BHAA	
CCCNCC(c1ccccc1)c1ccccc1	95918265	BMKCOTXYQMTSOP-UHFFFAOYSA-N	239.362	3.818	0	50	BHAA	
Cc1ccnc(SCc2ccccc2)c1	117237920	FBLYGGTYFFFZNJ-UHFFFAOYSA-N	215.321	3.682	0	50	BHAA	
CC(=S)Nc1cccc2ccccc12	394542	VCHHDIBIIGAJQB-UHFFFAOYSA-N	201.294	3.599	0	50	BHAA	
C[C@@H]1CCCC[C@H]1OC(=O)NC1CCCCC1	396381	DDSKHAHMBAVXFS-DGCLKSJQSA-N	239.359	3.624	0	50	BHAA	
Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1	244187141	VMNUJZBAOUTBFJ-MELADBBJSA-N	243.350	3.678	0	50	BHAA	
CO[C@@H]1CCCC[C@@H]1Nc1cc(C)ccc1C	292720	UUDIMGZYVHTDFS-DZGCQCFKSA-N	233.355	3.673	0	50	BHAA	
COc1ccccc1CNc1ccc(C)c(C)c1	437158	IJBWBDINRNZCEF-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
Clc1c(Br)cnc2ccccc12	1020113	WRRLTIGYGHAAOP-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Cc1ccc(Cl)cc1NC(=O)C(C)(C)C	3093899	STRJGPNKFINKBG-UHFFFAOYSA-N	225.719	3.633	0	50	BHAA	
CCc1ccc([C@@H](O)c2ccc(C)cc2)cc1	4255794	CSKARBPFKZVDQG-INIZCTEOSA-N	226.319	3.639	0	50	BHAA	
COc1cc(C)nc2cc(C(F)(F)F)ccc12	5236093	MRFXVPXZCFQGLP-UHFFFAOYSA-N	241.212	3.571	0	50	BHAA	
Brc1cc2ccsc2s1	6119219	DRHZNSHNAFMJJF-UHFFFAOYSA-N	219.128	3.725	0	50	BHAA	in-vitro
COc1cccc(CN[C@H](C)c2ccccc2)c1	6702420	MEBFFEBACJWTHG-CYBMUJFWSA-N	241.334	3.546	0	50	BHAA	
Cc1ccccc1C(=O)c1ccnc2ccccc12	169725926	GKNWNQDOEZCGKM-UHFFFAOYSA-N	247.297	3.774	0	50	BHAA	
Cc1cncc(-c2csc(-c3ccco3)n2)c1	170606700	KKTJGBKILNZXGT-UHFFFAOYSA-N	242.303	3.774	0	50	BHAA	
Nc1cccc(-c2c(F)cc3cc[nH]c3c2F)c1	1875340242	RUCRYSJIPNDCEJ-UHFFFAOYSA-N	244.244	3.695	0	50	BHAA	
Fc1ccc(CCc2cc(C(F)F)no2)cc1	2325871499	NXBNGIMRJKEHHM-UHFFFAOYSA-N	241.212	3.537	0	50	BHAA	
Clc1ccc2[nH]c3c(c2c1)CCCC3	88294	CNQQPGJXOHSTQR-UHFFFAOYSA-N	205.688	3.700	0	50	BHAA	in-vitro
CC(C)(C)C(=O)Nc1ccc2ccccc2c1	402139	VTOUVBDMMBNEDX-UHFFFAOYSA-N	227.307	3.824	0	50	BHAA	
CC(C)C(c1ccc(O)cc1)c1ccc(O)cc1	1216466	ZGZVGZCIFZBNCN-UHFFFAOYSA-N	242.318	3.886	0	50	BHAA	biogenic,in-vitro
c1cc2c3c(ccc4c3c1CCC4)CCC2	1690339	MBAIEZXRGAOPKH-UHFFFAOYSA-N	208.304	3.817	0	50	BHAA	in-vitro
O=Cc1c[nH]c2cc(-c3ccccc3F)ccc12	47204664	RAGROCACFFXSCY-UHFFFAOYSA-N	239.249	3.787	0	50	BHAA	
Cc1cc(Br)cc(Cl)c1F	65356410	QPVLYXFDAOPVFQ-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
CCOc1cccc(NC(=O)CC2CCCC2)c1	72119310	IQIQXGMQVRBCCD-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
Cc1nnc(-c2ccccc2OCC(C)C)s1	426395981	ROLRCOBGIRBDMA-UHFFFAOYSA-N	248.351	3.548	0	50	BHAA	
CO[C@H](C)OCC[C@@H](C)CCC=C(C)C	2166734	YSABATHBMSLQLP-STQMWFEESA-N	214.349	3.768	0	50	BHAA	
CCCOc1ccc(-c2ccccc2)cc1N	2580649	GMCDNWDWHXHHQN-UHFFFAOYSA-N	227.307	3.725	0	50	BHAA	in-vitro
CC[C@H](C)SCCC(=O)c1ccccc1	130801007	XXEOTFWPCSWHEB-NSHDSACASA-N	222.353	3.791	0	50	BHAA	
COc1cc(Cl)c(OC(F)F)c(Cl)c1	263624907	VCHFVPCWDLRYSD-UHFFFAOYSA-N	243.036	3.603	0	50	BHAA	
C=Cc1ccc(-c2csc(C=O)c2)cc1	725241557	XZCFCJAVKFJGCS-UHFFFAOYSA-N	214.289	3.871	0	50	BHAA	
COc1ccc(CNc2ccc(C)cc2C)cc1	394974	HGKLWGCZBDHECV-UHFFFAOYSA-N	241.334	3.924	0	50	BHAA	
Cc1ccc(C2=C/C(=C/C(=O)O)CCC2)cc1	395756	SRQVFHHSFLIBSB-ZRDIBKRKSA-N	228.291	3.573	0	50	BHAA	
CC(C)Cc1ccc(-c2csc(N)n2)cc1	435214	QHFXFYBCBXWOGR-UHFFFAOYSA-N	232.352	3.591	0	50	BHAA	
CC(C)=CCC[C@@H](C)NCc1ccco1	2119200	GZZLMYUOYGEEIK-GFCCVEGCSA-N	207.317	3.504	0	50	BHAA	biogenic
Cc1ccccc1CN[C@@H](C)c1ccccc1	4167728	KNHPPIQCIOYHFR-AWEZNQCLSA-N	225.335	3.846	0	50	BHAA	
c1ccc(N[C@H]2CCCN(C3CCCC3)C2)cc1	12387775	RIPSGSJTPAWTCW-HNNXBMFYSA-N	244.382	3.506	0	50	BHAA	
COC1=Nc2ccccc2CCc2ccccc21	45069783	AHZWBEZZPIRVER-UHFFFAOYSA-N	237.302	3.510	0	50	BHAA	
CCCOc1ccc(Br)c(Cl)c1	168789273	KEPBOFZYTVIDIG-UHFFFAOYSA-N	249.535	3.891	0	50	BHAA	in-vitro
Cc1ccc(N)cc1CSC1CCCC1	601014805	PDLPPAGSKOGOON-UHFFFAOYSA-N	221.369	3.753	0	50	BHAA	
Cc1c(F)ccc(Br)c1Cl	2560290	VHQALVHKNXDJRY-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
CCn1ncc(-c2ccc([C@H](C)OC)cc2)c1C	2356156390	ZRCYPMDPOAIYBF-LBPRGKRZSA-N	244.338	3.586	0	50	BHAA	
CCCCC(=O)Nc1cc(Cl)ccc1C	2057737	CJOJKAWTJGGECT-UHFFFAOYSA-N	225.719	3.777	0	50	BHAA	
CCCC[C@H](CC)CNC(=O)c1ccccc1	2181347	HSJYKKAHUWSVNF-ZDUSSCGKSA-N	233.355	3.633	0	50	BHAA	
CCCCN[C@@H](c1ccccc1)c1ccncc1	2981423	FRTGFTDPOVXTHJ-INIZCTEOSA-N	240.350	3.561	0	50	BHAA	
CCc1cccc(OCCCCN2CCCC2)c1	3001164	QYPZARWYPZKVGJ-UHFFFAOYSA-N	247.382	3.504	0	50	BHAA	
COc1ccccc1CCC(=O)c1cccs1	4050866	YJFYLRGZCYNYIP-UHFFFAOYSA-N	246.331	3.572	0	50	BHAA	
O=C(O)c1cccc(-c2cccc3[nH]ccc23)c1	54965438	JIDDTZCMXFNWAB-UHFFFAOYSA-N	237.258	3.533	0	50	BHAA	in-vitro
Cc1cccc([C@@]23CCCC[C@H]2CCCN3)c1	96026858	QCXFOUMRLGBMSF-GOEBONIOSA-N	229.367	3.764	0	50	BHAA	
Cc1ccc(NC(=O)OCc2ccco2)cc1C	397325	SMHMLADGEHVQSG-UHFFFAOYSA-N	245.278	3.645	0	50	BHAA	
Clc1ccc([C@@H]2CCCCCN2)cc1	2582655	QVSTXCOTKAOQEW-LBPRGKRZSA-N	209.720	3.545	0	50	BHAA	in-vitro
CCc1ccc(-c2nc3cc(N)ccc3o2)cc1	123032	FKDOOGCZVMKBIT-UHFFFAOYSA-N	238.290	3.639	0	50	BHAA	in-vitro
CCSc1nnc(-c2ccccc2Cl)o1	247328	OYLRUIOQCYAPMY-UHFFFAOYSA-N	240.715	3.502	0	50	BHAA	
CC1(C)CC(=O)C(C)(C)[C@H]2CC=CC[C@@H]21	3132625	KZNJYJXYVKMPNC-QWRGUYRKSA-N	206.329	3.594	0	50	BHAA	
CC(C)c1cccc(OCCN2CCCCC2)c1	5023917	WXHPSJNJTQQIOI-UHFFFAOYSA-N	247.382	3.675	0	50	BHAA	
CCCCc1nc2cc(Cl)ccc2[nH]1	26440497	WFWORIOFUWQDMY-UHFFFAOYSA-N	208.692	3.559	0	50	BHAA	
O=C(O)c1cccc(-c2nccc3ccccc23)c1	36155061	GUMXPUUWTAFHEG-UHFFFAOYSA-N	249.269	3.600	0	50	BHAA	
CC[C@](O)(c1ccc(Cl)cc1)C(C)C	37755274	URBZTJFYFKMWNO-GFCCVEGCSA-N	212.720	3.594	0	50	BHAA	
CCCCSc1ccc(Cl)cn1	78431842	DTGJJQAFSUUITC-UHFFFAOYSA-N	201.722	3.627	0	50	BHAA	
c1ccc(-c2nccc3ccccc23)cc1	967340	LPCWDYWZIWDTCV-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	biogenic,in-vitro
O[C@H](c1cccc(F)c1)c1cccc(Cl)c1	4242466	XQZHFEJWMCBAQY-ZDUSSCGKSA-N	236.673	3.561	0	50	BHAA	
CCc1cccc(C)c1NC(=O)c1cccs1	1096753	GYLZMYWJYDSHIS-UHFFFAOYSA-N	245.347	3.871	0	50	BHAA	
Cc1ccc(C(=O)c2ccc(F)c(F)c2)cc1C	4255040	UKLQXTUAGNBOLN-UHFFFAOYSA-N	246.256	3.813	0	50	BHAA	
CCC[C@@H](CC(=O)O)c1ccc(Cl)cc1	36139892	GSSBSZFPTQRYBV-JTQLQIEISA-N	226.703	3.698	0	50	BHAA	
Clc1ccnc2cccc(Br)c12	118340382	JSLHJVFWHZWSQG-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
Brc1cc(-c2ccccc2)ns1	198445820	NDFXHQKYUNLFSH-UHFFFAOYSA-N	240.125	3.573	0	50	BHAA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CC1=CCCCC1	225414126	GOUVYWSJTHVZQD-VNHYZAJKSA-N	249.398	3.818	0	50	BHAA	
CCC(=O)Nc1ccc2c(c1)oc1ccccc12	4538900	BMMHKUTUNJTDEJ-UHFFFAOYSA-N	239.274	3.935	0	50	BHAA	
CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	5856690	HXTFUVWJFLDLJP-LBPRGKRZSA-N	234.339	3.552	0	50	BHAA	in-vitro
O=Cc1ccc(OC/C=C/c2ccccc2)cc1	16972206	SRXWGYPOOZFWAD-QPJJXVBHSA-N	238.286	3.591	0	50	BHAA	
Clc1ccc(Br)c2cccnc12	19721438	FEUUWJABEPWLIO-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
O=Cc1cc(Cl)cc(OCc2ccccc2)c1	65337012	KWUCMRZDZICWPV-UHFFFAOYSA-N	246.693	3.732	0	50	BHAA	in-vitro
Cc1cc(C(C)(C)C)cc(C(=O)C(C)C)c1O	110161547	ZMWMBUKOJSFCFH-UHFFFAOYSA-N	234.339	3.837	0	50	BHAA	
Fc1cccc2c(CC3CCC3)c[nH]c12	236161807	UZYOENGSMXJMSP-UHFFFAOYSA-N	203.260	3.650	0	50	BHAA	
Cc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	514269767	QTTWUXWWQDVTPV-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
CCCc1occ(-c2cccc(F)c2)c1C(=O)O	725246161	LMVBKVACPKFOGV-UHFFFAOYSA-N	248.253	3.736	0	50	BHAA	
CCS[C@@H]1CC(=O)CC[C@@H]1C(C)(C)C	725362248	RAIZYDGTIYMDSU-WDEREUQCSA-N	214.374	3.523	0	50	BHAA	
c1ccc(CN2CSc3ccccc32)cc1	405828	CPKPUGGZBRKEAX-UHFFFAOYSA-N	227.332	3.756	0	50	BHAA	
C[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccccc1	409633	MCGRLJUUNBDQTF-SWLSCSKDSA-N	240.302	3.659	0	50	BHAA	biogenic
CC(C)(C)c1cc2c(Cl)ncnc2s1	2541415	FNNJFDXFLFLEAD-UHFFFAOYSA-N	226.732	3.642	0	50	BHAA	
CCC(C)(C)[C@@H]1CCCC[C@H]1OC(C)=O	4582605	YEVACTAGDANHRH-VXGBXAGGSA-N	212.333	3.545	0	50	BHAA	endogenous,in-man
Cc1cccc(-c2noc(CC(C)(C)C)n2)c1	6697053	XDBCZKCIUCDZLN-UHFFFAOYSA-N	230.311	3.634	0	50	BHAA	
Cc1nc(-c2ccc(F)cc2)c(C)s1	32131483	BYLRJAPIHKXDNV-UHFFFAOYSA-N	207.273	3.566	0	50	BHAA	in-vitro
CC(C)OC(=O)Nc1cc(Cl)ccc1Cl	395153	JNQVFBWQRGWFHG-UHFFFAOYSA-N	248.109	3.950	0	50	BHAA	
O=C(c1cccc2ccccc12)C(F)(F)F	2378593	VQCWOGKZDGCRES-UHFFFAOYSA-N	224.181	3.585	0	50	BHAA	
Fc1cc(Cl)c(Cl)cc1Br	63339632	YAKOUNMAKAPKIQ-UHFFFAOYSA-N	243.890	3.895	0	50	BHAA	in-vitro
Cc1ccc(-c2cccc(Cl)c2F)cn1	669380442	MMTNURTVOHMHSQ-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
Cc1cc(Cl)c(F)cc1Br	74937880	AKYAOPGWEAILOD-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
CC(C)Cc1cccc(Br)c1	83988613	YSJTXBKDIUSLGN-UHFFFAOYSA-N	213.118	3.648	0	50	BHAA	
Cc1ccc(/C=C/C(=O)Nc2ccccc2)cc1	483087	GQTUDGSMSDCDOA-VAWYXSNFSA-N	237.302	3.647	0	50	BHAA	
O=Cc1cccn1-c1ccc(Cl)c(Cl)c1	4237749	XPXSTXAGACLSFG-UHFFFAOYSA-N	240.089	3.597	0	50	BHAA	
Cc1cccc(NC(=O)OC(C)(C)C)c1C	7610505	MRXTVABFONUBDK-UHFFFAOYSA-N	221.300	3.650	0	50	BHAA	
CC[C@@H](C)CN(Cc1ccco1)Cc1ccco1	170659230	HIFMGSBZAVQTMI-CYBMUJFWSA-N	247.338	3.921	0	50	BHAA	
Fc1cccc(-c2nc(-c3cccs3)no2)c1	118356	KGXKRBJKOIPWJB-UHFFFAOYSA-N	246.266	3.604	0	50	BHAA	
C[C@@H](NCC1CCCCC1)c1ccccc1	4167527	UHABCGJJMSQRRP-CYBMUJFWSA-N	217.356	3.918	0	50	BHAA	
CCc1cc(CC)cc(C(=O)C(F)(F)F)c1	15443431	OFZOKSOHLNQNOV-UHFFFAOYSA-N	230.229	3.556	0	50	BHAA	
Fc1ccc(Cl)c(C(F)(F)F)c1F	66318877	IETMTNZSWMUANU-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	in-vitro
COC(=O)c1ccc(-c2ccc(C)cc2)c(F)c1	97757251	TTZXWGRRVSEMAR-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
CC[C@H](C)c1csc([C@@H]2CCCO2)n1	136477062	LDRAMTPOKASDRJ-WPRPVWTQSA-N	211.330	3.508	0	50	BHAA	
O=P(O)(C1CCCCC1)C1CCCCC1	188669	NPEWVJINTXPNRF-UHFFFAOYSA-N	230.288	3.922	0	50	BHAA	
Cc1ccc(C)c(NC(=O)Nc2ccccc2)c1	399255	RLUJFRJDKXHEJY-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
Clc1ccc(Cc2nc3ccccc3[nH]2)cc1	1655454	COGUOPIIFAMLES-UHFFFAOYSA-N	242.709	3.807	0	50	BHAA	in-vitro
CC(C)c1ccc([C@H]2CCCC[C@@H]2O)cc1	1708384	DWSGOQPKPDSNPU-CABCVRRESA-N	218.340	3.829	0	50	BHAA	
Brc1cccc(-c2ccco2)c1	12370315	YQTIZEZABLIGPW-UHFFFAOYSA-N	223.069	3.709	0	50	BHAA	in-vitro
O=C(O)C1(C2CCCCC2)CCCCC1	31361588	SJSRFXJWBKOROD-UHFFFAOYSA-N	210.317	3.602	0	50	BHAA	in-vitro
c1ccc(COc2ccc3c(c2)NCCC3)cc1	44127140	NFXLCQWSJCMLRJ-UHFFFAOYSA-N	239.318	3.624	0	50	BHAA	
O=C1[C@H]2CCCC[C@H]1[C@]13[C@H]4CC[C@@H](C4)[C@H]1CC[C@@H]23	257355523	BBFNGMXFOXPNBH-HDGVANAFSA-N	244.378	3.818	0	50	BHAA	
C1CCC(n2nc(C3CC3)nc2C2CCC2)CC1	820409001	QNSJOLSJKAWYFI-UHFFFAOYSA-N	245.370	3.928	0	50	BHAA	
CCCc1ccc(C(OCC)OCC)cc1	56571	FMARRBDLJSOXHA-UHFFFAOYSA-N	222.328	3.711	0	50	BHAA	in-vitro
CSc1nc2cc(Cl)ccc2s1	118878	YINRVZUJQJFNES-UHFFFAOYSA-N	215.730	3.672	0	50	BHAA	in-vitro
Cc1cc2c(NC3CCCCC3)ncnc2s1	224057	JPZZUSOFXUSHBG-UHFFFAOYSA-N	247.367	3.744	0	50	BHAA	
CC(C)OC(=O)Nc1cccc(C(F)(F)F)c1	1686401	BXBUGIFDTNEDNS-UHFFFAOYSA-N	247.216	3.662	0	50	BHAA	in-vitro
COc1ccc(Cl)cc1[C@@H]1CCCCCN1	3734928	ORNGGIPWYFRDGN-LBPRGKRZSA-N	239.746	3.553	0	50	BHAA	
CC(C)(C)OC(=O)Nc1cccc2cc[nH]c12	12648830	MPLIGTYBXHCNHS-UHFFFAOYSA-N	232.283	3.515	0	50	BHAA	
CC[C@H](NC(=O)N[C@H](C)CC)c1ccc(C)cc1	13745306	AKERBRRKMUOBDQ-OCCSQVGLSA-N	248.370	3.544	0	50	BHAA	
CO[C@@H](C)c1cccc(-c2nccn2C(C)C)c1	426370794	RCFCOIAWEFIZGW-LBPRGKRZSA-N	244.338	3.838	0	50	BHAA	
CC(=O)c1cn(Cc2ccccc2)c2ccccc12	1708642	ZKPMMGGHAVKPPN-UHFFFAOYSA-N	249.313	3.892	0	50	BHAA	
COc1cc(Nc2ccccc2)ccc1[N+]#N	4520869	LMVXMJUMQJUKDF-UHFFFAOYSA-N	226.259	3.923	0	50	BHAA	
CN(C(=O)c1ccc(Cl)cc1)c1ccccc1	29232	WKDYQGMWPAPVBT-UHFFFAOYSA-N	245.709	3.617	0	50	BHAA	
CC(C)NC(=O)Nc1cc(Cl)cc(Cl)c1	397981	BJOGGWRNUIFREG-UHFFFAOYSA-N	247.125	3.523	0	50	BHAA	
CSc1ccc(-c2ccc(C=O)cc2)cc1	1260515	AIQQOUGEPPIVBV-UHFFFAOYSA-N	228.316	3.888	0	50	BHAA	
COc1cc2ccc1CCc1ccc(cc1)CC2	3136874	IDNTUPRFFUTOCA-UHFFFAOYSA-N	238.330	3.579	0	50	BHAA	
C1CCC(NC2C3CC4CC(C3)CC2C4)CC1	9957459	WIHJYSHBXBBHAZ-UHFFFAOYSA-N	233.399	3.733	0	50	BHAA	
CC[C@@H](NC(=O)C(C)C)c1ccc(C)cc1C	72115553	FZVQYQJFRXLZAN-CQSZACIVSA-N	233.355	3.527	0	50	BHAA	
Clc1ccc(SC2CCCC2)nc1	82367147	XMQRISIOUVZTBF-UHFFFAOYSA-N	213.733	3.770	0	50	BHAA	
COc1ccccc1-c1cccc2cccnc12	147969136	LVYASIAKAHXBAL-UHFFFAOYSA-N	235.286	3.910	0	50	BHAA	
Cc1ccc([C@H]2CCC[C@H](CC(=O)O)C2)cc1	392281	WHSXOWGHZWMPER-JSGCOSHPSA-N	232.323	3.744	0	50	BHAA	
Clc1ccccc1C1=NCCc2ccccc21	16697559	YTPVNYPJOQKPQB-UHFFFAOYSA-N	241.721	3.734	0	50	BHAA	
CN1CCC[C@@H]2CCC[C@H](c3ccccc3)[C@@H]21	257356670	JOUQNHPNPHYSCX-ARFHVFGLSA-N	229.367	3.665	0	50	BHAA	
Fc1ccc(C(F)F)c(F)c1Br	263624159	NZCUEIOQCHMPGI-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
C[C@@]12CC3CC([C@@H]4CCC(=O)O4)(C1)C[C@](C)(C3)C2	2134791413	ANENSFNSGUVWQL-ATIJAETKSA-N	248.366	3.689	0	50	BHAA	
Cc1cccc(NC(=O)Nc2cccc(C)c2)c1	83401	UPUMJVLEADOLKF-UHFFFAOYSA-N	240.306	3.947	0	50	BHAA	
C[C@H](OC(=O)c1ccccc1)c1ccccc1	394281	NIHKUOHNHOWTCI-LBPRGKRZSA-N	226.275	3.605	0	50	BHAA	biogenic
CCOC(=O)Nc1c(Cl)cccc1Cl	397999	UUHKLXIRQAXOFC-UHFFFAOYSA-N	234.082	3.562	0	50	BHAA	
CCC[C@H](C)NC(=O)Nc1ccc(Cl)cc1	407522	XOMAJFJCFSLFCF-VIFPVBQESA-N	240.734	3.650	0	50	BHAA	
Cc1ccccc1NC(=O)C1CCCCC1	443087	TYYASBYAYGIERS-UHFFFAOYSA-N	217.312	3.514	0	50	BHAA	
Cc1ccc2c(c1)Cc1ccc(C)cc1C2	2525898	BVHFSQRZSCYTHT-UHFFFAOYSA-N	208.304	3.798	0	50	BHAA	
CC1(C)CC(=O)C(C)(C)[C@@H]2CC=CC[C@H]21	3132628	KZNJYJXYVKMPNC-GHMZBOCLSA-N	206.329	3.594	0	50	BHAA	
CCOC(=O)c1cc2cc([C@@H](C)CC)ccc2[nH]1	4235016	NSGRRZKPXZQHGD-JTQLQIEISA-N	245.322	3.858	0	50	BHAA	
CC(=O)c1ccc(OCc2cccc(F)c2)cc1	4255883	MZKVEEAJHDPMIG-UHFFFAOYSA-N	244.265	3.607	0	50	BHAA	
CC(=O)c1cnc(-c2cccc(Cl)c2)s1	5726493	OKEKBXCEKDVYJZ-UHFFFAOYSA-N	237.711	3.666	0	50	BHAA	
Cc1cccc(NC(=O)CC2CCCC2)c1C	70717785	CRDHCDIDEGYKIP-UHFFFAOYSA-N	231.339	3.822	0	50	BHAA	
CC(=O)c1c(Cl)cc(C)cc1Cl	144288585	ZXPRZVUPKWCRFS-UHFFFAOYSA-N	203.068	3.504	0	50	BHAA	
OCc1ccc(-c2ccc(Cl)cc2Cl)o1	122880	GTXVKLIDWYHAAS-UHFFFAOYSA-N	243.089	3.746	0	50	BHAA	
CO[C@H]1CCCC[C@H]1Nc1cc(C)ccc1C	292729	UUDIMGZYVHTDFS-HIFRSBDPSA-N	233.355	3.673	0	50	BHAA	
CC(C)c1ccc(C(=O)N2CCCCCC2)cc1	474848	OKTQUCGROIUDEB-UHFFFAOYSA-N	245.366	3.826	0	50	BHAA	
CCc1cc(C(=O)Nc2ccccc2)cs1	1054373	GDOJAAKQVXHYFN-UHFFFAOYSA-N	231.320	3.563	0	50	BHAA	
COc1ccc(C)cc1NC1CCCCC1	4685524	DMQQWOKUOCEQOU-UHFFFAOYSA-N	219.328	3.748	0	50	BHAA	
C/C1=C\CC[C@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1	12153222	KDPFMRXIVDLQKX-NHFJXKHHSA-N	236.355	3.553	0	50	BHAA	biogenic,in-vitro
Cc1c[nH]c2cc(Cl)cc(Cl)c12	206799945	VBVIWORSWKGQDH-UHFFFAOYSA-N	200.068	3.783	0	50	BHAA	
CC[C@@](C)(c1ccccc1)[C@](C)(O)CC	3132920	QRQGNYLQOQLEKT-UONOGXRCSA-N	206.329	3.515	0	50	BHAA	
CCc1ccc([C@H](O)c2ccc(C)cc2)cc1	4255793	CSKARBPFKZVDQG-MRXNPFEDSA-N	226.319	3.639	0	50	BHAA	
O=C1CCCC[C@H]1/C1=N/CCCCCCC1	4822706	MSEJRTWMABOMBB-PRSJPOKTSA-N	221.344	3.541	0	50	BHAA	
CN(C)c1ccc(Nc2ccc(N=O)cc2)cc1	22112546	RCBYEFZWZHPVCN-UHFFFAOYSA-N	241.294	3.894	0	50	BHAA	in-vitro
CCc1ccccc1NC(=O)OC(C)(C)C	403525	APURGTAWCSZZBB-UHFFFAOYSA-N	221.300	3.596	0	50	BHAA	in-vitro
Cc1cc(Cl)nc2cc3c(cc12)CCC3	18194868	PPGREYUBXFOZBC-UHFFFAOYSA-N	217.699	3.685	0	50	BHAA	in-vitro
c1ccc(-c2cccc3cccnc23)cc1	32154889	WJWVMGIAUYAQLA-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	
Fc1cc(Cl)c(F)c(S)c1Cl	67800181	BDBIXEWTFUDTRP-UHFFFAOYSA-N	215.051	3.560	0	50	BHAA	
COc1ccc(SCCC(F)(F)F)cc1	96024782	QRHQFTUAZAUMKC-UHFFFAOYSA-N	236.258	3.740	0	50	BHAA	
O=C(O)c1ccc(-c2cc3ccccc3s2)[nH]1	257878328	JKORJPYOGIVWCG-UHFFFAOYSA-N	243.287	3.595	0	50	BHAA	
Cc1ccc(NC(=O)c2cccs2)cc1C	29349	HFEXOUHOPKJUMZ-UHFFFAOYSA-N	231.320	3.617	0	50	BHAA	
Cc1ccc(N2C=Nc3ccc(C)cc3C2)cc1	1683171	KPBHBOKRUJADIW-UHFFFAOYSA-N	236.318	3.983	0	50	BHAA	
CCOC(=O)c1csc(C)c1-c1ccccc1	2807478	HOGZMPSDDTYUMW-UHFFFAOYSA-N	246.331	3.900	0	50	BHAA	
Cc1cc(C)cc(-c2cc(C)cc(C(=O)O)c2)c1	131846501	JTYVXTDJTBQSPS-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	in-vitro
c1ccc(Cc2cccc3[nH]ccc23)cc1	139845125	UWWDSFRFGQOVPB-UHFFFAOYSA-N	207.276	3.759	0	50	BHAA	in-vitro
Clc1ccc2nc(Cl)sc2c1	164515	QDZGJGWDGLHVNK-UHFFFAOYSA-N	204.081	3.603	0	50	BHAA	in-vitro
Nc1ccc(-c2nc3ccc(F)cc3s2)cc1	1862877	FIHRCVGMRDXVHA-UHFFFAOYSA-N	244.294	3.685	0	50	BHAA	in-vitro
CSc1nccc(-c2c(C)cc(C)cc2C)n1	32540995	NMJAVMPODHUCFS-UHFFFAOYSA-N	244.363	3.791	0	50	BHAA	
CC(C)Oc1cncc(-c2ccccc2)c1	201498505	JKBGPSXZMAPFTB-UHFFFAOYSA-N	213.280	3.536	0	50	BHAA	
Cc1n[nH]cc1-c1c(Cl)cc(F)cc1Cl	725272035	LVJIOUFSFHWBPY-UHFFFAOYSA-N	245.084	3.831	0	50	BHAA	
CCS[C@@H]1CC(=O)CC[C@H]1C(C)(C)C	725362245	RAIZYDGTIYMDSU-GHMZBOCLSA-N	214.374	3.523	0	50	BHAA	
O=C(Oc1ccc(Cl)cc1)c1ccccc1	37286	JKSIXXOEIXUYFW-UHFFFAOYSA-N	232.666	3.559	0	50	BHAA	in-vitro
c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1	41746	JXHKUYQCEJILEI-UHFFFAOYSA-N	220.275	3.744	0	50	BHAA	in-vitro
Cc1cccc(C(C)C)c1NC(=O)c1ccco1	140341	MPRRHGUGTXUIBQ-UHFFFAOYSA-N	243.306	3.964	0	50	BHAA	
CCCCCC1CCC(CC(=O)O)CC1	2571618	KVBNAJRQLNFGGK-UHFFFAOYSA-N	212.333	3.848	0	50	BHAA	
CCn1nc(C)c2ccc(OC)c3cccc1c32	4367968	SETXZYWAYSWZNE-UHFFFAOYSA-N	240.306	3.526	0	50	BHAA	
C[n+]1ccccc1/C=C/c1cccc2ccccc12	4774583	SSNJTEDYJJBNSY-OUKQBFOZSA-N	246.333	3.835	0	50	BHAA	
CC1(C)c2ccccc2-c2ccc(N)cc21	34633348	GUTJITRKAMCHSD-UHFFFAOYSA-N	209.292	3.575	0	50	BHAA	in-vitro
C[C@@H](O)c1ccc(-c2cnc3ccccc3c2)cc1	65373146	XILINCRTLWFEBS-GFCCVEGCSA-N	249.313	3.955	0	50	BHAA	
Clc1cc(Br)cc2sncc12	84097112	ZGPQXUVRBFEIID-UHFFFAOYSA-N	248.532	3.712	0	50	BHAA	
Fc1cc(F)c(Br)c(C(F)F)c1	263623097	DPUMTGSJQIIFBE-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
COC(=O)c1cccc(-c2ccc(Cl)cc2)c1	1256613	HUGWWAOXLBJUCT-UHFFFAOYSA-N	246.693	3.794	0	50	BHAA	
c1ccc2c(c1)C[C@@H](c1cc3ccccc3[nH]1)N2	34542851	JHOONDMVUXMXNH-INIZCTEOSA-N	234.302	3.877	0	50	BHAA	
Cc1ccc(-c2cc(F)c(N)c(F)c2)cc1	86033122	GXMFQRHIKXRMJP-UHFFFAOYSA-N	219.234	3.522	0	50	BHAA	
Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1	35892	UWAXMUSNRIUHRQ-UHFFFAOYSA-N	245.134	3.699	0	50	BHAA	biogenic,in-vitro
Cc1ccccc1[C@@H](O)c1ccccc1Cl	1654256	HVYKUKPIGLOQTO-CQSZACIVSA-N	232.710	3.730	0	50	BHAA	
CSc1ccc([C@@H](O)c2ccc(C)cc2)cc1	4268970	NJXXIRJTUBIDBF-HNNXBMFYSA-N	244.359	3.799	0	50	BHAA	
c1ccc(-c2csc(-c3ccccn3)n2)cc1	8844856	ZRIPTGIQAZVFDP-UHFFFAOYSA-N	238.315	3.872	0	50	BHAA	
Fc1cc(Cl)cc(F)c1C(F)(F)F	67794489	SGJLWILHBZITFS-UHFFFAOYSA-N	216.536	3.637	0	50	BHAA	
CCC[C@H](F)Cn1ccc2ccccc21	97758833	SPWGOILFUYHPLW-LBPRGKRZSA-N	205.276	3.780	0	50	BHAA	in-vitro
Cc1cc([C@H]2C[C@H]3CC[C@H]2C3)cc(C)c1O	101811730	OYGWGOYYCCNMSN-OBJOEFQTSA-N	216.324	3.913	0	50	BHAA	
Fc1cccc2c(Cl)nc(Cl)cc12	143912828	JAJZIXXLBFCSAX-UHFFFAOYSA-N	216.042	3.681	0	50	BHAA	
Clc1ccc2ccoc2c1Br	238537017	GLYRZZHNOLUQDP-UHFFFAOYSA-N	231.476	3.849	0	50	BHAA	
O=C(/C=C/c1cccs1)Nc1ccccc1F	73892	NZJJDVCYOSSSIO-BQYQJAHWSA-N	247.294	3.539	0	50	BHAA	
COc1ccc(CN2CCC[C@@H](C)C2)c(C)c1C	759133	QMBKJKXXFBRETI-GFCCVEGCSA-N	247.382	3.544	0	50	BHAA	
CCCCOC(OCCCC)OCCCC	1586779	SGJBIFUEFLWXJY-UHFFFAOYSA-N	232.364	3.720	0	50	BHAA	
FC(F)(F)c1cnc(Cl)cc1C(F)(F)F	2572156	GBZFIEBGHKCVEA-UHFFFAOYSA-N	249.541	3.773	0	50	BHAA	in-vitro
CCc1cccc(NC(=O)CC(C)(C)C)c1	13326450	NTUXXYDQYZYOTD-UHFFFAOYSA-N	219.328	3.624	0	50	BHAA	
C[C@H]1C[C@H]2C[C@@]34C=CC[C@@H]3CC[C@H]4[C@@]2(C)C1=O	71786399	DWQHJENFMHTEFG-VNQJHTJGSA-N	230.351	3.594	0	50	BHAA	
CCCCC[C@H](/C=C/c1ccccc1)OC=O	83316673	PULNKJHBRAQWEJ-AYJWMTRPSA-N	232.323	3.822	0	50	BHAA	
O=C(NCC1(C2CC2)CCC1)C1=CCCCCC1	154143570	HWPWVEHMFDLEOT-UHFFFAOYSA-N	247.382	3.573	0	50	BHAA	
CCc1ccc(-c2cn3ccc(C)cc3n2)cc1	218500	JELLLLXOVAYQJZ-UHFFFAOYSA-N	236.318	3.872	0	50	BHAA	
COc1ccccc1NC(=O)CC1CCCCC1	451448	CWDGHAJBWGLEMC-UHFFFAOYSA-N	247.338	3.604	0	50	BHAA	
COc1cc(C)cc2c1[nH]c1ccccc12	1634346	HDETUOZJFUNSKG-UHFFFAOYSA-N	211.264	3.638	0	50	BHAA	biogenic,in-vitro
Clc1cc2c(Cl)ccnc2c(Cl)n1	91301673	RXWXAIRRMCXMBL-UHFFFAOYSA-N	233.485	3.590	0	50	BHAA	
CC1(C)CCc2ccc(Br)cc2O1	147921132	XUIUZNRBJXPSJH-UHFFFAOYSA-N	241.128	3.553	0	50	BHAA	
C1=C(COc2ccc([C@@H]3CCOC3)cc2)CCC1	647158557	QLAWFAWEUMXWTN-OAHLLOKOSA-N	244.334	3.680	0	50	BHAA	
CN1c2ccccc2Sc2cc(N)ccc21	116812	HFXCUJLZEIBVQQ-UHFFFAOYSA-N	228.320	3.501	0	50	BHAA	
Clc1ccc2[nH]c3ccccc3c2c1	2023096	CABSFELLEWZIAK-UHFFFAOYSA-N	201.656	3.975	0	50	BHAA	biogenic
C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C	3881915	QTLDMKVNVOUSIV-QKCSRTOESA-N	232.323	3.714	0	50	BHAA	biogenic
Cc1ccc(/C=C(/C(=O)O)c2ccccc2)cc1	11589134	GDRZOUTYRVLNHB-RVDMUPIBSA-N	238.286	3.620	0	50	BHAA	
CC(C)(C)NC(=O)c1cccc(Cl)c1Cl	42137316	CJDRROQVOXQEQA-UHFFFAOYSA-N	246.137	3.522	0	50	BHAA	
C1C[C@@H]2[C@@H]3[C@@H]1[C@H]1CC[C@@H]4[C@@H]1[C@H]3[C@@H]1[C@@H]2CC[C@H]41	253588913	YSSOBFMYUGCUNX-RFFXEYTKSA-N	214.352	3.571	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1	30877	QJOYKPASVOVSGN-MRVPVSSYSA-N	243.709	3.854	0	50	BHAA	
CC[C@]1(C)C[C@H](c2csc(C)n2)CCO1	432785	YPZFGDOTQMFJSL-ZYHUDNBSSA-N	225.357	3.514	0	50	BHAA	
CCc1ccc(-c2ccc(C=O)cc2)cc1	1258181	BKSIRMWDRXUHEK-UHFFFAOYSA-N	210.276	3.729	0	50	BHAA	in-vitro
CCCCOC(=O)Nc1ccc(C)c(Cl)c1	1770708	IZFNCIAPPGUYMN-UHFFFAOYSA-N	241.718	3.997	0	50	BHAA	
CC(=C=CC(C)(C)[C@H]1NCCO1)CCC=C(C)C	2496317	LROQSEFFFMGVQF-POGJTHQKSA-N	249.398	3.806	0	50	BHAA	
CC(C)(C)c1cc(C(=O)O)c2c(c1)C(C)(C)CC2	5303123	CEQQWCGIEIQQKB-UHFFFAOYSA-N	246.350	3.906	0	50	BHAA	
c1ccc(C2=NN=C(c3ccccc3)[C@H]3C[C@H]23)cc1	101044190	NSZKAWDFECVDTH-GJZGRUSLSA-N	246.313	3.530	0	50	BHAA	
COc1ccc(-c2cn(C(C)C)nc2C)cc1F	426707356	FQHIORHYBMICJK-UHFFFAOYSA-N	248.301	3.587	0	50	BHAA	
CC(C)OC(=O)Nc1ccc(Cl)c(Cl)c1	128045	NLBTXMFJUAESAC-UHFFFAOYSA-N	248.109	3.950	0	50	BHAA	
CC[C@@](C)(O)[C@](C)(CC)c1ccccc1	3132921	QRQGNYLQOQLEKT-ZIAGYGMSSA-N	206.329	3.515	0	50	BHAA	
Fc1ccc([C@@H]2Cc3cc(F)ccc3N2)cc1	3700499	AIKZSNJIXLXMNQ-AWEZNQCLSA-N	231.245	3.674	0	50	BHAA	
CC1=C[C@H](C)[C@H](CNCc2ccco2)[C@@H](C)C1	4011595	YHIFVIYJGMJLIA-YDHLFZDLSA-N	233.355	3.608	0	50	BHAA	
CCCCC[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3	4955790	CAGSXORDNAXYTM-HKGGGCDWSA-N	222.372	3.754	0	50	BHAA	
FC(F)(F)c1ccc(Cl)c(S)c1	36532980	CLJUYSUDVRFKEL-UHFFFAOYSA-N	212.623	3.648	0	50	BHAA	
Cc1ccc(-c2ccc(C(=O)O)cc2F)cc1F	65350082	WHEWBRDYJWPYHK-UHFFFAOYSA-N	248.228	3.638	0	50	BHAA	in-vitro
Cc1cccc(C(F)(F)F)c1Br	66329353	XVWSTGYAPNVWGV-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
O=C(O)[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1	100003912	NXXDIEYTMQYWJU-JGZJWPJOSA-N	238.714	3.698	0	50	BHAA	in-vitro
c1ccc2c(c1)C[C@H]1[C@H]3O[C@@H](c4ccccc43)[C@@H]1C2	104229024	JAPYNJXJPWUCEV-BDXSIMOUSA-N	248.325	3.844	0	50	BHAA	
CSc1cc(Cl)ccc1Br	116338420	DYZDWOUTMZQILR-UHFFFAOYSA-N	237.549	3.824	0	50	BHAA	
FCc1c(Cl)ccc(Br)c1F	203874240	LQAPDHYVYQDLLJ-UHFFFAOYSA-N	241.462	3.711	0	50	BHAA	
Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1C	274506	VLOXKPOAFSQOIH-UHFFFAOYSA-N	242.274	3.794	0	50	BHAA	
O=Cc1ccc(-c2ccc(Cl)cc2Cl)[nH]1	537172	SFCHNSMCZGBOTP-UHFFFAOYSA-N	240.089	3.801	0	50	BHAA	
CCOC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	2759483	UCDAWOWWZUSWFQ-UONOGXRCSA-N	246.350	3.651	0	50	BHAA	
c1ccc2sc(N3CCCC3)cc2c1	196730113	MTJPGYSOHJDUJM-UHFFFAOYSA-N	203.310	3.502	0	50	BHAA	
Cc1c(-n2cccc2)cccc1C(F)(F)F	602993648	MYTOWBPAIZYJRQ-UHFFFAOYSA-N	225.213	3.805	0	50	BHAA	
CC[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	30539	DVEQOWZEDDDEEG-QMMMGPOBSA-N	245.244	3.690	0	50	BHAA	
Cc1cn(CC(=O)c2ccccc2)c2ccccc12	242671	GHOPHUHSHPHZKV-UHFFFAOYSA-N	249.313	3.833	0	50	BHAA	
CCN(Cc1ccccc1)C(=O)C1CCCCC1	860087	VMBKTDIIACGISG-UHFFFAOYSA-N	245.366	3.615	0	50	BHAA	
CC(C)=CCC[C@@H](C)CCOC(=O)C(C)C	1677816	ZGPPERKMXSGYRK-CYBMUJFWSA-N	226.360	3.958	0	50	BHAA	endogenous,in-man
c1ccc(C(c2ccccc2)[C@@H]2CCCN2)cc1	2386288	OXOBKZZXZVFOBB-INIZCTEOSA-N	237.346	3.571	0	50	BHAA	in-vitro
CCc1ccc([C@H](O)c2cccc(C)c2)cc1	4255791	QWJIFEMHQGINKX-INIZCTEOSA-N	226.319	3.639	0	50	BHAA	
CCCCCOc1ccc([C@@H]2CCC(=O)O2)cc1	43191043	JYMXBTQHPMMHCR-AWEZNQCLSA-N	248.322	3.634	0	50	BHAA	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C]1[CH][CH][CH][CH]1	104307251	HUMXCSBFYLPVHM-SNPRPXQTSA-N	219.348	3.827	0	50	BHAA	
Cc1cccc(NCc2cccs2)c1F	132528771	GFTCDGAPIREHAB-UHFFFAOYSA-N	221.300	3.808	0	50	BHAA	
CC(C)(CNCc1ccccc1)C1=CCCC1	307495348	BUZLFLRPNHUTRN-UHFFFAOYSA-N	229.367	3.913	0	50	BHAA	
CO[C@@H]1CCCC[C@@H]1Nc1ccc(C)c(C)c1	293206	CCKVKDWMBPBQII-LSDHHAIUSA-N	233.355	3.673	0	50	BHAA	
C[C@H](CC(=O)Nc1ccccc1)c1ccccc1	295725	WBNRAKXBDCSXSC-CYBMUJFWSA-N	239.318	3.819	0	50	BHAA	
c1ccc2c(C[C@@H]3CCCCN3)cccc2c1	3734639	MKNYCCHEHJVUHR-HNNXBMFYSA-N	225.335	3.524	0	50	BHAA	in-vitro
CC(C)Oc1cc(Cl)cc(Br)c1	65337315	OTWVUTFRDAIKIM-UHFFFAOYSA-N	249.535	3.890	0	50	BHAA	
c1cnc2c(-c3ccc4c(c3)OCO4)cccc2c1	65508328	PFXYFFKHWVQJQC-UHFFFAOYSA-N	249.269	3.631	0	50	BHAA	
CCCOc1cc(Cl)cc(Cl)c1OC	79025980	MFSSNULVLPYQBV-UHFFFAOYSA-N	235.110	3.791	0	50	BHAA	
CC(C)Sc1cccc(Br)c1	96024699	MZHILWWDNMZPFH-UHFFFAOYSA-N	231.158	3.950	0	50	BHAA	
Cc1cccc2c(-c3nccn3C(C)C)c[nH]c12	96180533	MLRQEJHDPLJKLJ-UHFFFAOYSA-N	239.322	3.921	0	50	BHAA	
CC1(C)C[C@]23CC=CC[C@@]2(CSC3)C1	101037437	DPXSUEVJWDWVCV-STQMWFEESA-N	208.370	3.876	0	50	BHAA	
Clc1ncc(C2CCCCC2)c(Cl)n1	238569351	AKLCEUWGFZZVJF-UHFFFAOYSA-N	231.126	3.831	0	50	BHAA	
Cc1cnnc(-c2ccc3ccoc3c2)c1C	2356157770	QBKDQPISZPDXLZ-UHFFFAOYSA-N	224.263	3.507	0	50	BHAA	
S=c1sc2c(s1)SCCS2	348840	LFPIFRGVCYRUEO-UHFFFAOYSA-N	224.422	3.737	0	50	BHAA	in-vitro
CN1CCC(=C(c2ccccc2)c2ccccc2)C1	4336548	KXHUKGKOOUFKQH-UHFFFAOYSA-N	249.357	3.824	0	50	BHAA	
C=C(O)/C(Br)=C/C=C(Cl)Cl	4827748	YGKLYMSIVQQAIG-DJWKRKHSSA-N	243.915	3.656	0	50	BHAA	
Clc1nccc2c(Br)cccc12	4992342	XUWFLTLTPVIRCV-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CC(=O)[C@H]1C[C@@H]2CC[C@H](C)C2=CC1(C)C	71786122	CKWPIMVGURZEHE-XHVZSJERSA-N	206.329	3.594	0	50	BHAA	
Cc1ccc(N[N+](=O)c2ccc(C)cc2)cc1	201367434	JHJFDKKZXXDCIA-UHFFFAOYSA-N	227.287	3.741	0	50	BHAA	
O=C1CCC(c2ccnc3ccc(F)cc23)CC1	584641340	RERWJKGSYCCWPW-UHFFFAOYSA-N	243.281	3.601	0	50	BHAA	
CCOc1ccc(CNc2cccc(F)c2)cc1	280380	VODMUHWFRSWSET-UHFFFAOYSA-N	245.297	3.837	0	50	BHAA	
c1cc2cc(c1)CSCCCSC2	393092	UDVUVDFCVYPFNO-UHFFFAOYSA-N	210.367	3.557	0	50	BHAA	
Cc1ccccc1NC(=O)CC1CCCCC1	451436	GVRIUYCGBWUKIR-UHFFFAOYSA-N	231.339	3.904	0	50	BHAA	
Cc1ccnc(-c2ccc(Cl)s2)c1	45028334	RJGVODCYDVINHJ-UHFFFAOYSA-N	209.701	3.772	0	50	BHAA	
CCOc1ccc(Br)c(Cl)c1	77028472	QOVFYQVZTTUBMW-UHFFFAOYSA-N	235.508	3.501	0	50	BHAA	in-vitro
CN[C@]1(c2ccccc2)[C@H]2CC[C@@H](C2)C1(C)C	104119798	MBNREHLXPVRRJY-OFQRWUPVSA-N	229.367	3.557	0	50	BHAA	
C[C@@H]1CCCC[C@@H]1NC(=O)CCCC(C)(C)C	170621180	URXIKBCJQXTMDC-OLZOCXBDSA-N	239.403	3.898	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2)cc1Cl	363129	APLQVPPMTCVSKJ-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
O=C(Nc1ccccc1Cl)Oc1ccccc1	396919	QVFDNSVUSCSALT-UHFFFAOYSA-N	247.681	3.951	0	50	BHAA	
Fc1c(Br)cccc1C(F)(F)F	2545261	VPXCYIIXCVJZKZ-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
C(=C/c1ccccc1)\CSc1ccccn1	6136734	FJADTEIITQQHDN-RMKNXTFCSA-N	227.332	3.887	0	50	BHAA	
CCCNC(=O)Nc1ccccc1[C@@H](C)CC	6726565	FXNJKPYVUCOZPL-NSHDSACASA-N	234.343	3.732	0	50	BHAA	
CC[C@@H](C)c1ccccc1NC(=O)C1CC1	8383029	SMXMLARDFQTTRU-SNVBAGLBSA-N	217.312	3.549	0	50	BHAA	
Oc1cccc2ccc(-c3ccccc3)nc12	337284	WOEZGUUDQZLTCQ-UHFFFAOYSA-N	221.259	3.607	0	50	BHAA	
CC[C@H](C)c1ccc(-c2csc(N)n2)cc1	435230	LBOPCRGVEWBRJI-VIFPVBQESA-N	232.352	3.906	0	50	BHAA	in-vitro
CCCCCCOC(=O)CCCCC	1684740	NCDCLPBOMHPFCV-UHFFFAOYSA-N	200.322	3.690	0	50	BHAA	endogenous,in-man
Nc1ccc(Oc2ccc(F)cc2)c(Cl)c1	4105266	GFNXPQYBXNTHIL-UHFFFAOYSA-N	237.661	3.854	0	50	BHAA	
FC(F)(F)c1cc(Cl)ccc1S	34406599	GKSJQTNCPAVEEG-UHFFFAOYSA-N	212.623	3.648	0	50	BHAA	
Cc1cc(C)c(-c2ccnc3[nH]ccc23)s1	2325873375	FNILGGMNOOEWDN-UHFFFAOYSA-N	228.320	3.908	0	50	BHAA	
CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1C=O	3674540	XODKYEDELIXUHB-UHFFFAOYSA-N	237.249	3.556	0	50	BHAA	
c1ccc(-c2cncc3ccccc23)cc1	32236498	MVTFMJPVPXNIFC-UHFFFAOYSA-N	205.260	3.902	0	50	BHAA	
Cc1ccc2c(Cl)nc(Cl)cc2c1	38537388	IQQBGIAYCYYEFH-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	in-vitro
C[C@@H](N)c1ccc(-c2ccccc2)c(F)c1	140091705	RXTZOBNPYLZNKA-SNVBAGLBSA-N	215.271	3.512	0	50	BHAA	
Oc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)cc1	215960623	LPZZGKAOEYRCGK-GOEBONIOSA-N	245.366	3.547	0	50	BHAA	
CN1c2ccccc2N(C)c2ccccc21	395546	GVTGSIMRZRYNEI-UHFFFAOYSA-N	210.280	3.536	0	50	BHAA	in-vitro
CC(C)(C)c1cc(Cl)c(O)c(Cl)c1	1600062	RETRALMQVUXTPQ-UHFFFAOYSA-N	219.111	3.997	0	50	BHAA	
COc1ccccc1OCc1ccc(Cl)cc1	2839383	XJLPKPJELIXBIH-UHFFFAOYSA-N	248.709	3.928	0	50	BHAA	
CCCc1nc2c(C)cc(C)cc2c(N)c1CC	4011615	CTHMZUGHOXRSPZ-UHFFFAOYSA-N	242.366	3.949	0	50	BHAA	
CC(C)(C)c1cc(-c2ccccc2)no1	4031218	RIBKIXCBVCQZMG-UHFFFAOYSA-N	201.269	3.639	0	50	BHAA	
CCCCOP(=O)(C(C)C)C(C)C	22014522	BCDBADSNFDUGIN-UHFFFAOYSA-N	206.266	3.898	0	50	BHAA	
Cc1ncc(C)c(-c2cccc3ccsc23)n1	67773163	ZVUZTGZXPBNDAR-UHFFFAOYSA-N	240.331	3.975	0	50	BHAA	
Clc1ccnc(OC2CCCC2)c1Cl	261493813	JYBBYCTZQIYUKL-UHFFFAOYSA-N	232.110	3.710	0	50	BHAA	
Cc1cccc(C)c1/C=C/c1ccn(C)c1	1875308877	DSZNUDJPPNESBC-BQYQJAHWSA-N	211.308	3.812	0	50	BHAA	
COc1ccc(N[C@@H](C)c2ccccc2)cc1	52611	QKBUMGWVDNFABU-LBPRGKRZSA-N	227.307	3.868	0	50	BHAA	
CC(=O)c1ccc(C2CCC(C(C)=O)CC2)cc1	246006	JUUBRWDMANTQBT-UHFFFAOYSA-N	244.334	3.752	0	50	BHAA	
Cc1cc(C)c2nc3c(c(N)c2c1)CCCCC3	328092	LUSABPPAFHAANK-UHFFFAOYSA-N	240.350	3.703	0	50	BHAA	
CCC(CC)C(=O)Nc1cc(C)ccc1C	361929	AEEBYSWAUWKJLL-UHFFFAOYSA-N	219.328	3.678	0	50	BHAA	
Cc1ccc(NC(=O)CC(C)(C)C)cc1F	4820775	FWLJQAOUMRKHMJ-UHFFFAOYSA-N	223.291	3.509	0	50	BHAA	
COC(=O)Nc1ccccc1-c1ccccc1	13331315	LXZYLGUNAYNUGX-UHFFFAOYSA-N	227.263	3.532	0	50	BHAA	
C[C@H](CC1=NCCCS1)c1ccccc1	71773842	MMTVFSVLUDWMKC-LLVKDONJSA-N	219.353	3.716	0	50	BHAA	
Cc1cc2ccc(Br)cc2s1	95803768	DPXCVGWKYNCVLF-UHFFFAOYSA-N	227.126	3.972	0	50	BHAA	in-vitro
C[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C)[C@]13C=C[C@]21CC=CC3	216407198	KYBVGURWBOKRGE-ZMLDCZPUSA-N	212.336	3.967	0	50	BHAA	
Cc1ccc(OCCCN2CCCCC2)c(C)c1	2494259	UMTUJJRTECGBJG-UHFFFAOYSA-N	247.382	3.558	0	50	BHAA	
CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1	2518354	VHYHRNYPVNFGNR-UHFFFAOYSA-N	220.356	3.774	0	50	BHAA	in-vitro
Cc1ccc(C)c(NC(=O)OC(C)(C)C)c1	6697168	AVYPJUZNNYDNPS-UHFFFAOYSA-N	221.300	3.650	0	50	BHAA	
CCOC(=O)c1ccc2c(c1)[C@H](C)CC(C)(C)N2	32256436	ONRAUCIKLJIWGO-SNVBAGLBSA-N	247.338	3.561	0	50	BHAA	
CC[C@@H](C)c1nc2ccccc2n1CC	40417112	GQROFMNWYXCDKW-SNVBAGLBSA-N	202.301	3.570	0	50	BHAA	
Cn1c(NC(=O)OC(C)(C)C)cc2ccccc21	44137776	YQBTXPLKZWAIGL-UHFFFAOYSA-N	246.310	3.525	0	50	BHAA	in-vitro
O=c1cccccc1Nc1cccc2ccccc12	179230	CPRQAJMQOXKVBZ-UHFFFAOYSA-N	247.297	3.944	0	50	BHAA	biogenic
Cc1ccccc1C(=O)c1ccccc1C	1596373	QPRFAFKPBOLMDI-UHFFFAOYSA-N	210.276	3.534	0	50	BHAA	
Brc1cc(-c2ccccc2)ccn1	2559926	KRIILKQTJUOQCJ-UHFFFAOYSA-N	234.096	3.511	0	50	BHAA	
Cc1ccc(NC(=O)c2cc(C)c(C)o2)cc1C	4856034	PCHLPWDHGUEDSM-UHFFFAOYSA-N	243.306	3.766	0	50	BHAA	
CC(C)Cn1c([C@H]2CCCO2)nc2ccccc21	21782653	VEBASDDQTQGAHG-CQSZACIVSA-N	244.338	3.544	0	50	BHAA	
CC1=CC=C[C@@]23C=C[C@@]12c1ccccc1CC3	71785969	IREUKXXUYXYFFS-SJORKVTESA-N	220.315	3.943	0	50	BHAA	
Cc1cccc(NC(=O)c2cccc(F)c2)c1C	299038	LOYMLBICNGFCDQ-UHFFFAOYSA-N	243.281	3.695	0	50	BHAA	
c1ccc(-c2nc(C3CCCCC3)no2)cc1	444768	BOMTUBVUSUAXBH-UHFFFAOYSA-N	228.295	3.784	0	50	BHAA	
CCOc1ccc(C(=O)c2ccc(C)cc2)cc1	456703	URYAPIPAPKZONE-UHFFFAOYSA-N	240.302	3.625	0	50	BHAA	
Cc1cccc([C@@H](O)c2cc(C)cc(C)c2)c1	4290259	AHAHNENAXUENSN-MRXNPFEDSA-N	226.319	3.694	0	50	BHAA	
CCCCCc1cc(O)c2c(C)cc(=O)oc2c1	5826127	JNQRCHFZDNUMRU-UHFFFAOYSA-N	246.306	3.540	0	50	BHAA	biogenic
Cc1cc(Cl)cc2cc(C=O)c(Cl)nc12	11850787	LQGCPWAESLYAKC-UHFFFAOYSA-N	240.089	3.663	0	50	BHAA	
CCc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1	13325801	COJITWXPXXLMMO-GFCCVEGCSA-N	246.354	3.513	0	50	BHAA	
CCN(CC)CCC[C@H](C)n1c(C)ccc1C	35120255	SJSUJPKGYRQFFT-ZDUSSCGKSA-N	236.403	3.788	0	50	BHAA	
Oc1cc(Cl)cc(-c2ccc(F)cc2)c1	65343062	LEKGDXUDFWBDMU-UHFFFAOYSA-N	222.646	3.852	0	50	BHAA	in-vitro
CCCCOc1ccc(O)c(Cl)c1Cl	261493890	LJDTYEJJZPOLDQ-UHFFFAOYSA-N	235.110	3.878	0	50	BHAA	
Cc1nn(-c2ccccc2)c2c1C=CC(C)(C)C2	2080385567	QCEUWSWFERNTLS-UHFFFAOYSA-N	238.334	3.776	0	50	BHAA	
CC(C)N(C(=O)c1ccc(Cl)cc1)C(C)C	399321	MGPPJDHMGGQMSG-UHFFFAOYSA-N	239.746	3.599	0	50	BHAA	in-vitro
Oc1ccc(-c2ccc(Cl)cc2)cc1	1699661	ICVFJPSNAUMFCW-UHFFFAOYSA-N	204.656	3.713	0	50	BHAA	biogenic,in-vitro
CCCCN(CCCC)C(=O)[C@H](C)CCC	2734921	LOWFQTNMIBYSAF-CYBMUJFWSA-N	227.392	3.851	0	50	BHAA	
Cc1ccc(-c2cccc(C(=O)O)c2C)c(C)c1	65349823	NBESNFBLRRAOJS-UHFFFAOYSA-N	240.302	3.977	0	50	BHAA	in-vitro
CCCOc1ccc(C2CCC(=O)CC2)cc1	168730549	JBRFZUFQNBTUAA-UHFFFAOYSA-N	232.323	3.702	0	50	BHAA	
CCCCn1nc(C2CC2)nc1-c1cccs1	670433980	VRZVQLHPFXXJCN-UHFFFAOYSA-N	247.367	3.684	0	50	BHAA	
CCC[C@@H](C)C(=O)Nc1cccc(C)c1C	30529	LUZDMRIMYTYLRZ-LLVKDONJSA-N	219.328	3.678	0	50	BHAA	
O=Cc1cccn(-c2ccc(Cl)cc2)c1=S	332212	XHOUQAJGKNKGFI-UHFFFAOYSA-N	249.722	3.673	0	50	BHAA	
CCC(C)(C)[C@H]1CCCC[C@H]1OC(C)=O	410085	YEVACTAGDANHRH-NWDGAFQWSA-N	212.333	3.545	0	50	BHAA	endogenous,in-man
Clc1ccc2c(c1)[nH]c1ccccc12	3847493	LOQQFCPPDBFFSO-UHFFFAOYSA-N	201.656	3.975	0	50	BHAA	
Cc1cccc(-c2nc3ccccc3[nH]2)c1	3881074	USLJYASOSQJYGN-UHFFFAOYSA-N	208.264	3.538	0	50	BHAA	
Cc1[nH]nc2c1[C@@H](c1ccccc1)c1ccccc1-2	4010265	PXEGVECYYOGCHJ-INIZCTEOSA-N	246.313	3.879	0	50	BHAA	
Cc1ccc(NC(=O)c2ccccc2F)c(F)c1	10220000	MUGSLUVTIIYKSO-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
CC(C)(C)C(=O)CCCc1ccccc1	39650568	JRSVGSLNDAMUHF-UHFFFAOYSA-N	204.313	3.625	0	50	BHAA	
Clc1cccc2c(Br)cncc12	118261765	AMMJKPXUAMAVCA-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	
CO[C@H](C)c1nc(-c2ccccc2F)cs1	175505553	NEVGAIUQUAJJGZ-MRVPVSSYSA-N	237.299	3.657	0	50	BHAA	
CC[C@H]1CCCCN1C(=O)c1ccc(C)c(C)c1	475684	LIDSGMXCIWGNIS-HNNXBMFYSA-N	245.366	3.708	0	50	BHAA	
CCCCOC(=O)Nc1cc(Cl)ccc1C	1646539	RMKHMFXHMIXHQX-UHFFFAOYSA-N	241.718	3.997	0	50	BHAA	
Cc1ccc(N2CCS[C@@H]2c2ccco2)cc1	2956063	UZHUAKAMVQJXMK-CQSZACIVSA-N	245.347	3.840	0	50	BHAA	
Fc1c(Cl)ccc2cc(C3CC3)[nH]c12	238605364	YATKJRKHOQJJKV-UHFFFAOYSA-N	209.651	3.838	0	50	BHAA	
CCOc1cc(Cl)cc(OC(F)(F)F)c1	261494123	QKRQNOGDBCLFSZ-UHFFFAOYSA-N	240.608	3.637	0	50	BHAA	
O=c1cc(-c2ccco2)oc2ccc(Cl)cc12	40838	ZZNRUAHIXRVREI-UHFFFAOYSA-N	246.649	3.706	0	50	BHAA	
Cc1cc(Cl)nc2cc(Cl)ccc12	277088	FTONSAARTKYOAV-UHFFFAOYSA-N	212.079	3.850	0	50	BHAA	
CCN(CC)Cc1cccc2ccccc12	2173259	JIDHYTMOPLMDLX-UHFFFAOYSA-N	213.324	3.682	0	50	BHAA	
Cc1cc(Cl)c2ccc(C)c(C)c2n1	11757232	NDTSUKTWPJRMAV-UHFFFAOYSA-N	205.688	3.813	0	50	BHAA	in-vitro
CCCC(=O)c1ccc(Br)cc1F	74934349	MHTRFRWNHCLIGT-UHFFFAOYSA-N	245.091	3.571	0	50	BHAA	in-vitro
Clc1ccc(-c2cnc3[nH]ccc3c2)cc1	90487302	AIRHBAXIGSQPNX-UHFFFAOYSA-N	228.682	3.883	0	50	BHAA	in-vitro
c1cncc(CNCc2cccc3ccccc23)c1	359784	AXTCUNQBYAOHSZ-UHFFFAOYSA-N	248.329	3.525	0	50	BHAA	
CCCCNCCCOc1cccc(C(C)C)c1	2932701	RGRFTSCGORHYRZ-UHFFFAOYSA-N	249.398	3.969	0	50	BHAA	
FC(F)(F)c1cc(Cl)c2ncccc2c1	40456610	JIDHIFSGFFYQHO-UHFFFAOYSA-N	231.604	3.907	0	50	BHAA	in-vitro
Cc1cc(F)c(Cl)c(Br)c1	63339582	HWUYWBXBSNBFGY-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
COc1ccc(-c2ccc(F)c(C)c2)cc1	74937803	ITWLSLUQIKPHCT-UHFFFAOYSA-N	216.255	3.810	0	50	BHAA	in-vitro
C=CC(=O)Nc1ccc(C)c(OCCC(C)C)c1	1338390149	QLQDHTUCFXTYFH-UHFFFAOYSA-N	247.338	3.544	0	50	BHAA	
COC(=O)[C@H](c1ccccc1)C1CCCCC1	39393971	CHGRSXGBVBMMAP-CQSZACIVSA-N	232.323	3.524	0	50	BHAA	
Cc1ccc(Cl)c(F)c1Br	216282039	PVDHZYNJLJWOOX-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	
Oc1cccc(-c2nc3ccccc3s2)c1	520300	JIWVTDBBMGSTFI-UHFFFAOYSA-N	227.288	3.669	0	50	BHAA	
CCCCOc1ccc(Br)cc1	1599406	BOUVKHWPQNEXTO-UHFFFAOYSA-N	229.117	3.628	0	50	BHAA	biogenic,in-vitro
CCCCCCC(=O)c1ccc(OC)cc1	2390977	ADNCVBHGESSUHS-UHFFFAOYSA-N	220.312	3.848	0	50	BHAA	in-vitro
CC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	4056169	QSPCNJJIWKLTMC-CYBMUJFWSA-N	240.302	3.710	0	50	BHAA	
O=Cc1cccn1-c1cc(Cl)ccc1Cl	4237696	OPBNBGQZXPPUPX-UHFFFAOYSA-N	240.089	3.597	0	50	BHAA	
CCC(CC)C(=O)NC12CC3CC(CC(C3)C1)C2	4700934	PRXRKTXCYHVHKI-UHFFFAOYSA-N	249.398	3.508	0	50	BHAA	aggregator
CCC[C@H]1C[C@@H](c2csc(C)n2)CCO1	295469	FNRAFLQGZOWCQJ-QWRGUYRKSA-N	225.357	3.514	0	50	BHAA	
CC(=O)O[C@H]1CCCC[C@@H]1C1CCCCC1	402275	ZEJHMZKXUUMYAY-KGLIPLIRSA-N	224.344	3.689	0	50	BHAA	
CSc1ccc(-c2cccc(N)c2)cc1	2528976	CCIYYICNCOTNNV-UHFFFAOYSA-N	215.321	3.658	0	50	BHAA	
CC(=S)Nc1ccc(C)cc1Br	406357	HTUKBMJVNZSABH-UHFFFAOYSA-N	244.157	3.517	0	50	BHAA	
CSc1ccc([C@H](O)c2ccc(F)cc2)cc1	4255978	LDKVLIOZSUOIRZ-CQSZACIVSA-N	248.322	3.629	0	50	BHAA	
Clc1cccc(CN2CCCCCC2)c1	4977743	RVGZESGWVBIWFS-UHFFFAOYSA-N	223.747	3.716	0	50	BHAA	
CC(C)SCCCOc1ccccc1	22782377	JSNSPUSLEHMUBL-UHFFFAOYSA-N	210.342	3.597	0	50	BHAA	
COc1ccc(OC)c2cc(Cl)ccc12	43214948	FWEYHIOUOVLOEM-UHFFFAOYSA-N	222.671	3.510	0	50	BHAA	
Fc1ccc(-c2cccc3[nH]ncc23)c(F)c1	644614893	ULJDVTOETMFMJL-UHFFFAOYSA-N	230.217	3.508	0	50	BHAA	
Cc1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1	441619	YTBXATRHZRRJQW-MDZDMXLPSA-N	241.290	3.548	0	50	BHAA	
CCCNC(=O)Nc1cc(Cl)ccc1Cl	2170983	MMYJFTKRFXNJPH-UHFFFAOYSA-N	247.125	3.525	0	50	BHAA	
Nc1cccc(-c2ccc(Cl)cc2)c1	2574112	VUCKHKAVIGEKGO-UHFFFAOYSA-N	203.672	3.589	0	50	BHAA	in-vitro
CCCC[C@@H](CC)CNC(=O)c1cccs1	2773007	SCXLTPDPNIQTIU-LLVKDONJSA-N	239.384	3.694	0	50	BHAA	
Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1C	5618027	KSVWIKFRNYQIAV-UHFFFAOYSA-N	233.355	3.562	0	50	BHAA	
Cc1ccc(Cl)c2cc(C=O)c(Cl)nc12	32099263	MZAQCBDOHHPKOV-UHFFFAOYSA-N	240.089	3.663	0	50	BHAA	
COc1cc(Cl)ccc1-c1ccc(N)cc1	74938304	LXVLGXFUOKOIHA-UHFFFAOYSA-N	233.698	3.598	0	50	BHAA	in-vitro
COc1ccccc1Sc1ccc(C=O)cc1	111527165	GMESLFAYLNRVQM-UHFFFAOYSA-N	244.315	3.659	0	50	BHAA	
C[C@@H]1CC(=O)[C@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@H](C)C1	242592214	OMRXGTVRYFLYAG-AQEIEYEASA-N	220.356	3.674	0	50	BHAA	
CC(C)COc1ccc(O)c(Cl)c1Cl	261493488	CARVPSOGTGPKAB-UHFFFAOYSA-N	235.110	3.734	0	50	BHAA	
Clc1cc(Cl)c(Cl)c(Cl)n1	158338	FZFNDUTVMQOPCT-UHFFFAOYSA-N	216.882	3.695	0	50	BHAA	
COc1cccc2c1nc(C)c1cc(C)oc12	519437	XVRNVRMDVUFRKT-UHFFFAOYSA-N	227.263	3.606	0	50	BHAA	biogenic
CCCCNCCCCOc1c(C)cccc1C	2901132	JTGPJCHHDKBXHV-UHFFFAOYSA-N	249.398	3.852	0	50	BHAA	
CC[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1	6698443	HZPBFNJLQUWFKA-LLVKDONJSA-N	234.343	3.730	0	50	BHAA	
FC(F)(F)c1c[nH]c(-c2ccc(Cl)cc2)n1	8698429	ZTXYPSFNTFQYBS-UHFFFAOYSA-N	246.619	3.749	0	50	BHAA	
CCCNc1cc(Cl)cc(Cl)c1	21503434	OCQKLLNZTLAQBU-UHFFFAOYSA-N	204.100	3.815	0	50	BHAA	
C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](C)C1	252516752	WLXVYAPNARXPGX-RFGFWPKPSA-N	237.387	3.508	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)c1ccc(F)cc1	29779	XUEQQRMECUEOSZ-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1	2574107	RTSCKIULIJLTHO-UHFFFAOYSA-N	237.224	3.955	0	50	BHAA	
Brc1ccc2[nH]cc(C3CC3)c2c1	230278943	WTGHVCBUFAOGSP-UHFFFAOYSA-N	236.112	3.808	0	50	BHAA	
CCN(CC)CCCOc1ccc(C(C)C)cc1	5794570	KUEWIAFVOPCDIE-UHFFFAOYSA-N	249.398	3.921	0	50	BHAA	
CC[C@@H]1CCCCN1Cc1cnc(Cl)s1	8729710	FEIGSLIOAQWZLT-SECBINFHSA-N	244.791	3.561	0	50	BHAA	
CC(=O)CCc1ccc(OCC=C(C)C)cc1	19806751	ZKFQEWPXZGUTON-UHFFFAOYSA-N	232.323	3.553	0	50	BHAA	in-vitro
O=C1CC[C@@]2(c3ccccc3)[C@H](c3ccccc3)[C@@H]12	105248755	IJXHRYRHSFUZEX-KZNAEPCWSA-N	248.325	3.701	0	50	BHAA	
C[C@H]1C[C@H](NC2CCCC2)c2ccccc21	164399381	FKWAJSCMBIWDDT-NHYWBVRUSA-N	215.340	3.767	0	50	BHAA	in-vitro
CCc1cc(=O)oc2cc3oc(C)c(C)c3cc12	95196	GARBLMXFSNEPTJ-UHFFFAOYSA-N	242.274	3.718	0	50	BHAA	biogenic
CCC(=O)Nc1ccc(Nc2ccccc2)cc1	397822	KKZALQARLVYWIO-UHFFFAOYSA-N	240.306	3.779	0	50	BHAA	
CC(C)(C)C(=O)Nc1ccccc1C(F)(F)F	2379744	SXKNUTLEZXPLLR-UHFFFAOYSA-N	245.244	3.690	0	50	BHAA	
CC(F)(F)c1ccc(Br)cc1	49581117	QXIBKCFAFRHORF-UHFFFAOYSA-N	221.044	3.561	0	50	BHAA	in-vitro
Cc1nc2ccccc2nc1CSC(C)C	299465343	DKKFYACSCWXEPA-UHFFFAOYSA-N	232.352	3.580	0	50	BHAA	
C(=C/c1cnnc2ccccc12)\c1ccccc1	394375	VQXIUGSZPAZYGV-ZHACJKMWSA-N	232.286	3.800	0	50	BHAA	
COc1ccccc1-n1ccc2ccccc21	3124531	XZDGCUCMNGPRSZ-UHFFFAOYSA-N	223.275	3.639	0	50	BHAA	
CCc1ccc(-c2ccc(OC(C)=O)cc2)cc1	5667574	PVWQSJHXRSROMN-UHFFFAOYSA-N	240.302	3.841	0	50	BHAA	
CC1=Nc2ccc(Br)cc2C1(C)C	9970280	OUWLZEOAVCFTAQ-UHFFFAOYSA-N	238.128	3.833	0	50	BHAA	
Cc1cscc1-c1c[nH]nc1-c1ccncc1	426690340	SCDOXQONXHVQSK-UHFFFAOYSA-N	241.319	3.509	0	50	BHAA	
Cc1ccc(-c2cc(Cl)ccc2F)cn1	669381039	WKGHXEKMXPSBEZ-UHFFFAOYSA-N	221.662	3.850	0	50	BHAA	
Oc1ccccc1-c1cc2ccccc2[nH]1	79386	WKZRPPBUMLPCRF-UHFFFAOYSA-N	209.248	3.541	0	50	BHAA	in-vitro
CC(C)(C)c1cc2ncnc(Cl)c2s1	2513541	HRULXTDXJYTJPU-UHFFFAOYSA-N	226.732	3.642	0	50	BHAA	in-vitro
Cc1ccc(-c2ccc(O)c(F)c2)c(C)c1	65340734	GQADMQWSFXKFMI-UHFFFAOYSA-N	216.255	3.815	0	50	BHAA	in-vitro
Cc1ccnc2c(Br)ccc(C)c12	91301625	MAYNASLULYRPOY-UHFFFAOYSA-N	236.112	3.614	0	50	BHAA	
C/C(=C\c1ccccc1)CNc1ccc(F)nc1	221941777	WBJNKGUKRFYCPI-FMIVXFBMSA-N	242.297	3.736	0	50	BHAA	
Cc1ccc(NC(=S)NC2CCCCC2)cc1	300984	CFLODRBMZSPZIU-UHFFFAOYSA-N	248.395	3.614	0	50	BHAA	biogenic
Fc1cccc(NC(=S)Nc2ccccc2)c1	473197	PCVWQZHFWFIIPZ-UHFFFAOYSA-N	246.310	3.635	0	50	BHAA	
CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)O)c1	7023237	OHJGKKIIENYZIU-UHFFFAOYSA-N	234.339	3.980	0	50	BHAA	
FC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)F	1673613	ABPBVCKGWWGZDP-UHFFFAOYSA-N	244.949	3.595	0	50	BHAA	
CCCCN(C)C(=O)Nc1ccc(C)cc1C	2171018	OPFHASFQZVXRCF-UHFFFAOYSA-N	234.343	3.567	0	50	BHAA	
CCSc1ccc(Br)cc1	2244204	CTFHVAKXUMMGOC-UHFFFAOYSA-N	217.131	3.561	0	50	BHAA	in-vitro
Cc1ccc(CN[C@@H](C)c2ccccc2)s1	4997842	GCBHJOWYJBACTF-LBPRGKRZSA-N	231.364	3.907	0	50	BHAA	
Cc1ccc([C@H](C)NC(=O)C2CCCC2)c(C)c1	6726636	OMIRGCIRVHGDRY-ZDUSSCGKSA-N	245.366	3.671	0	50	BHAA	
Cc1c(Cl)ccc(Br)c1C	66314793	PEDJITWDIJFXGC-UHFFFAOYSA-N	219.509	3.719	0	50	BHAA	in-vitro
Cc1nnc(-c2ccccc2CCCCCF)o1	91624681	BBTIGDVZINSWOC-UHFFFAOYSA-N	248.301	3.727	0	50	BHAA	
CC1=C[C@H]2[C@@H]([C@H](C)C(=O)O)CC[C@@H](C)[C@H]2CC1	257459996	JYGAZEJXUVDYHI-XVIXHAIJSA-N	236.355	3.726	0	50	BHAA	biogenic
Cc1ccc(NC(=O)c2ccc(F)cc2)cc1F	28407	LRBPVFYWRLXJSA-UHFFFAOYSA-N	247.244	3.526	0	50	BHAA	
Cc1ccc(C)c(NC(=O)NC2CCCCC2)c1	396523	CMGRMLLBNWDGJO-UHFFFAOYSA-N	246.354	3.758	0	50	BHAA	
O=c1cc(-c2ccccc2)oc(-c2ccccc2)c1	402012	UWCKXOXEYVSRSD-UHFFFAOYSA-N	248.281	3.974	0	50	BHAA	
Cc1sc(N)nc1-c1ccc(C(C)(C)C)cc1	2506007	ZORPZCRQAKSJHA-UHFFFAOYSA-N	246.379	3.998	0	50	BHAA	
O=C(c1cccc(Cl)c1Cl)C(F)(F)F	2579838	WJXHCHVDELIRDI-UHFFFAOYSA-N	243.011	3.738	0	50	BHAA	
O=C(O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1	40867	FPSINWFYJYHUBV-SOFGYWHQSA-N	248.665	3.698	0	50	BHAA	
CCCNC(=O)Sc1ccc(Cl)cc1	1751404	HPSKSCGIPZHFLE-UHFFFAOYSA-N	229.732	3.552	0	50	BHAA	
CC1=CC[C@H](C(C)(C)OC(=O)C(C)C)CC1	2572266	SMQUXKIIXFOJKI-LBPRGKRZSA-N	224.344	3.711	0	50	BHAA	endogenous,in-man
CC(=O)Oc1ccc(/C=C/c2ccccc2)cc1	4825578	SEMXFQLBQPCKNI-BQYQJAHWSA-N	238.286	3.782	0	50	BHAA	
c1ccc(C(c2ccccc2)c2cc[nH]n2)cc1	5278816	MQENKFASEBTSNQ-UHFFFAOYSA-N	234.302	3.590	0	50	BHAA	in-vitro
Cc1cc(C(F)(F)F)cc(C)c1Cl	67794491	DGVILDRFZRQNIA-UHFFFAOYSA-N	208.610	3.976	0	50	BHAA	
CCCC=C1CCN(C(=O)OC(C)(C)C)CC1	72194167	YKBHFSWRSVCBCN-UHFFFAOYSA-N	239.359	3.744	0	50	BHAA	in-vitro
C[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[C@@H](C)C1	170638519	WLXVYAPNARXPGX-ZOBORPQBSA-N	237.387	3.508	0	50	BHAA	
Fc1ccc(C(F)F)c(Br)c1F	263623038	DCVGCLUZHMTPMX-UHFFFAOYSA-N	242.997	3.665	0	50	BHAA	
Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1	146662	ZGNNVNCFQUJRAG-UHFFFAOYSA-N	245.709	3.901	0	50	BHAA	
Cc1cc(C)c(-c2cscn2)cc1C	1520047	GVMXDBNHGORZQU-UHFFFAOYSA-N	203.310	3.735	0	50	BHAA	in-vitro
CC(C)CS[C@@H]1CC(=O)CCC1(C)C	725362465	SJRVMIFOXPXLEV-LLVKDONJSA-N	214.374	3.523	0	50	BHAA	
CCCN(CCC)C(=O)c1cccc(Cl)c1	29714	MRHRRTXQAOTSRF-UHFFFAOYSA-N	239.746	3.602	0	50	BHAA	
Cc1ccc(C(=O)Nc2ccccc2)cc1C	362873	LLAKMXJZVYZXCE-UHFFFAOYSA-N	225.291	3.556	0	50	BHAA	
CCc1cc(O)c(Cl)c(C)c1Cl	393691	GMHTUWZTSIUNIM-UHFFFAOYSA-N	205.084	3.570	0	50	BHAA	in-vitro
Cc1ccc(NC(=O)Cc2cccs2)c(C)c1	455705	XHFLFRUMUWXHCH-UHFFFAOYSA-N	245.347	3.546	0	50	BHAA	
Cc1cccc(Cn2c(C)nc3ccccc32)c1	460364	ZLCQLLJERCGVQZ-UHFFFAOYSA-N	236.318	3.701	0	50	BHAA	
CCN(CC)CCSc1ccc(Cl)cc1	2019521	XGTCHKSZCHPKBU-UHFFFAOYSA-N	243.803	3.774	0	50	BHAA	
Cc1cc(Br)c(Cl)cc1F	2516787	DNHPIRQSZOBOQL-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
Cc1ccc(Cl)cc1-c1ccc(C=O)o1	2566698	GDWCDEHMLJURKH-UHFFFAOYSA-N	220.655	3.721	0	50	BHAA	
CCCCNCCCCOc1ccccc1C	2901347	LFSGJICSTUMACU-UHFFFAOYSA-N	235.371	3.544	0	50	BHAA	
FC(F)(F)c1cc(/C=C/c2ccccc2)no1	4525021	QFPSOZUQQRBMBJ-VOTSOKGWSA-N	239.196	3.864	0	50	BHAA	
Clc1ccc(Br)c2[nH]ccc12	14986086	ZFBAFEMIPJPWPF-UHFFFAOYSA-N	230.492	3.584	0	50	BHAA	in-vitro
Cc1ccc2[nH]cc(-c3nncc(C)c3C)c2c1	2356156890	VPDWXHXRIMDHSU-UHFFFAOYSA-N	237.306	3.550	0	50	BHAA	
CC(C)c1ccc(NC(=O)NC(C)(C)C)cc1	392882	MRQIYRMHQLQKGK-UHFFFAOYSA-N	234.343	3.730	0	50	BHAA	
O=C(Nc1cccc(Cl)c1)Oc1ccccc1	396359	ODRCCNDEGWDDGA-UHFFFAOYSA-N	247.681	3.951	0	50	BHAA	in-vitro
Nc1cccc(-c2cccc(C(F)(F)F)c2)c1	2574106	STZPUMRJVDKRJE-UHFFFAOYSA-N	237.224	3.955	0	50	BHAA	
C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	4532241	OQYNUZDJQMOTFA-OAHLLOKOSA-N	222.291	3.624	0	50	BHAA	biogenic
CC[C@@H](C)c1ccccc1OCCN1CCCC1	4845050	GEUHIKPPWSBLAJ-CQSZACIVSA-N	247.382	3.675	0	50	BHAA	
Clc1cc(Br)cc2cccnc12	38537790	BDEUOIMCEVFYET-UHFFFAOYSA-N	242.503	3.651	0	50	BHAA	in-vitro
CCC/C=C/c1c(C)c2ccccc2[nH]c1=O	67872332	FGZQFTUUMGPYMW-WEVVVXLNSA-N	227.307	3.650	0	50	BHAA	
C[Si](C)(C)c1c(Cl)cccc1Cl	169816947	IDQZIBONBKMSJJ-UHFFFAOYSA-N	219.187	3.539	0	50	BHAA	
Fc1cc(Cl)c(Cl)cc1OC(F)F	263624683	SOUGKBBFWONSBO-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
Cc1ccc(Cn2c(C)nc3ccccc32)cc1	183998	TWYWUFRUVNPKCK-UHFFFAOYSA-N	236.318	3.701	0	50	BHAA	
Cc1ccc(C(=O)Nc2cccc(Cl)c2C)o1	375529	CHTJCQQQAQPRAC-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
Cc1ccc(C(=O)CNc2ccccc2C)cc1	405245	OFQBXSDDFQQQLN-UHFFFAOYSA-N	239.318	3.598	0	50	BHAA	
Cc1ccc(Br)cc1C(F)(F)F	2382286	IZFVIEYHUOUPPH-UHFFFAOYSA-N	239.034	3.776	0	50	BHAA	in-vitro
Cc1ccc(-c2cccc(C(=O)O)c2)c(C)c1	38068713	UMORCGAQBRIKAF-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
Cc1ccc2c(-c3cccc(CN)c3)cccc2n1	67513583	VZYYCUMNCGJGGW-UHFFFAOYSA-N	248.329	3.669	0	50	BHAA	
CCCCOc1c(Cl)cc(O)cc1Cl	217343831	YNFSDXHSMBKCCT-UHFFFAOYSA-N	235.110	3.878	0	50	BHAA	
COc1cccc(Cl)c1-c1cccc(N)c1	316592804	HCZBDXXNEUYQCX-UHFFFAOYSA-N	233.698	3.598	0	50	BHAA	
Cc1ccc(NC(=O)Nc2ccccc2)cc1F	358124	OJHDBMNUJVWVCC-UHFFFAOYSA-N	244.269	3.778	0	50	BHAA	
Cc1sc(N)nc1-c1ccc(C(C)C)cc1	730704	CKBKNWSEMKPLMX-UHFFFAOYSA-N	232.352	3.824	0	50	BHAA	
CCCCOC(=O)Nc1ccccc1CC	2166595	GZRGNXAUGMYOKQ-UHFFFAOYSA-N	221.300	3.598	0	50	BHAA	
CC(=O)c1ccc(Cc2ccccc2)s1	2534786	ZARLDFJGADJLPN-UHFFFAOYSA-N	216.305	3.542	0	50	BHAA	
CCn1cc(C(=O)c2ccccc2)c2ccccc21	2866416	VUFQMIDVZNQVAK-UHFFFAOYSA-N	249.313	3.892	0	50	BHAA	
CC(=O)c1sc(=S)n(-c2ccccc2)c1C	3653634	NSKNVTYNXCJNAS-UHFFFAOYSA-N	249.360	3.779	0	50	BHAA	
O=C(Nc1ccccc1)c1ccc(F)cc1Cl	6741782	WDCMZYHUBSYAOX-UHFFFAOYSA-N	249.672	3.731	0	50	BHAA	
CC[C@H](C)c1ccc(Br)cc1	55161282	DGZQEAKNZXNTNL-QMMMGPOBSA-N	213.118	3.963	0	50	BHAA	in-vitro
Fc1ccc2ncn(C3CCCCC3)c2c1F	85477111	PWQJIHCSKKIAHC-UHFFFAOYSA-N	236.265	3.820	0	50	BHAA	in-vitro
C(=C/C1CCCCC1)\c1[nH]nc2ncccc12	426597251	PMTCOZTVKXFKIU-CMDGGOBGSA-N	227.311	3.551	0	50	BHAA	
Cc1ccc(C(F)(F)F)c2c1NC[C@H](C)C2	757066089	HODFWRPGEAHAHP-SSDOTTSWSA-N	229.245	3.618	0	50	BHAA	
CC(C)c1cccc(C(C)C)c1C(=O)O	19801568	AGBGSHYCQQNNEH-UHFFFAOYSA-N	206.285	3.632	0	50	BHAA	in-vitro
COC(=O)c1ccc(-c2cc(F)ccc2C)cc1	97757242	KRFQXLLNHYUVOG-UHFFFAOYSA-N	244.265	3.588	0	50	BHAA	
Cc1nc(Cl)ccc1NCc1ccsc1	193345604	JNVHLJFELOROSQ-UHFFFAOYSA-N	238.743	3.717	0	50	BHAA	
Fc1cc(Cl)cc(Cl)c1OC(F)F	263624548	RKXHFEMIWYTLMD-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
C[C@@H]1CCCCCN1C(=O)OCc1ccccc1	306145252	XVVUGXCKFNIIHZ-CYBMUJFWSA-N	247.338	3.588	0	50	BHAA	
CC(C)c1ccc(NCCc2ccccn2)cc1	152567	CZAXCZZETBKEAP-UHFFFAOYSA-N	240.350	3.860	0	50	BHAA	
Cc1cc(C)c2nc(C)cc(Cl)c2c1	145939	FGGSFRDVXDCVEI-UHFFFAOYSA-N	205.688	3.813	0	50	BHAA	in-vitro
O=C(O)C(F)=C(c1ccccc1)c1ccccc1	330716	GUMRWFJERADMSX-UHFFFAOYSA-N	242.249	3.500	0	50	BHAA	
O=C(O)Cc1cccc(-c2cccc(Cl)c2)c1	2581033	YFDAOVVUFQOVHY-UHFFFAOYSA-N	246.693	3.634	0	50	BHAA	
Cc1c(Cl)ccc(Br)c1F	63339587	CKQJSLXOBAZJLD-UHFFFAOYSA-N	223.472	3.550	0	50	BHAA	in-vitro
CCCC(=O)c1cc(C(C)(C)C)c(O)cc1C	129732231	IYATZULMEKXYKD-UHFFFAOYSA-N	234.339	3.981	0	50	BHAA	
Cc1cccc(-c2ccc(C(=O)O)cc2C)c1	65349464	WOHKBTCOGNYIAZ-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
Fc1c(Cl)cccc1CC(F)(F)F	66341761	FGUXRTAVYNYNGW-UHFFFAOYSA-N	212.573	3.584	0	50	BHAA	
O=Cc1c(F)cccc1-c1cc(F)ccc1F	395146554	HQMCCMCCBGJSMZ-UHFFFAOYSA-N	236.192	3.583	0	50	BHAA	
CCC[C@@H]1Nc2ccccc2[C@@H]2OCCC[C@@H]12	601008698	URAWUVAUCHYFOU-YDHLFZDLSA-N	231.339	3.749	0	50	BHAA	
CCCCNC(=O)c1cc(Cl)cc(Cl)c1	5465796	XETYXBRKOYHSPN-UHFFFAOYSA-N	246.137	3.523	0	50	BHAA	
CCC[C@@H]1CC=C(Br)CC1	63363112	BVNAKZCZXQOREQ-MRVPVSSYSA-N	203.123	3.865	0	50	BHAA	in-vitro
O=C1O[C@H](c2ccccc2)CN1C1CCCCC1	71773925	UZMFZPFILVZETF-AWEZNQCLSA-N	245.322	3.513	0	50	BHAA	
Cc1cc(-c2ccc(C=O)o2)ccc1Cl	584904541	WXZFSTOTRZNCEB-UHFFFAOYSA-N	220.655	3.721	0	50	BHAA	
CCc1ccc(CN[C@H](C)C2=CCCCC2)nc1	952860827	TWFNLEGIKZLIMF-CYBMUJFWSA-N	244.382	3.623	0	50	BHAA	
CCc1cccc(C)c1NC(=O)C(CC)CC	474825	ZOXYABYUIXKGER-UHFFFAOYSA-N	233.355	3.932	0	50	BHAA	
Oc1cccc(-c2ccc3ccccc3n2)c1	1395205	RUOWBAQAYCVXOA-UHFFFAOYSA-N	221.259	3.607	0	50	BHAA	
CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1	19910885	GIZJFYDJGULERU-UHFFFAOYSA-N	246.137	3.522	0	50	BHAA	
CO[C@@H]1c2ccccc2[C@H]2c3ccccc3C[C@@H]12	2173769	YVSWPWVLBDPPOL-BRWVUGGUSA-N	236.314	3.692	0	50	BHAA	
Cc1coc(C)c1C(=O)Nc1ccc(Cl)cc1	9764030	VWAZZCUTVKEYDL-UHFFFAOYSA-N	249.697	3.802	0	50	BHAA	
Cc1cccc(C)c1-c1cccc(C(=O)O)c1	33427276	GYAKPFZFMPRKKS-UHFFFAOYSA-N	226.275	3.669	0	50	BHAA	in-vitro
COc1ccc(Sc2ccccc2C=O)cc1	34354388	LEUGWPTYVRTOEO-UHFFFAOYSA-N	244.315	3.659	0	50	BHAA	
C1=Cc2ccccc2NCc2ccccc21	114003466	ROKWPTFIJIFMGL-UHFFFAOYSA-N	207.276	3.783	0	50	BHAA	in-vitro
c1ccc(CN[C@@H]2CC[C@H]2c2ccccc2)cc1	888093265	RDQIJTUJJKZYSB-DLBZAZTESA-N	237.346	3.722	0	50	BHAA	
C[C@@H](c1ccccc1)n1cnc2ccccc21	167637	AYYHFRJNEMYJKT-LBPRGKRZSA-N	222.291	3.646	0	50	BHAA	
CC(C)[C@@H](C)n1ncc2[nH]c(CC(C)(C)C)nc21	48170759	SXOHCVPCQGHLKC-SNVBAGLBSA-N	248.374	3.565	0	50	BHAA	
Fc1cccc(C(F)(F)F)c1Br	49952244	UERAGXKMOXUWPC-UHFFFAOYSA-N	242.997	3.607	0	50	BHAA	in-vitro
Fc1cc(Cl)c(Cl)c(S)c1F	67800183	UMVLMLBUGSLIGW-UHFFFAOYSA-N	215.051	3.560	0	50	BHAA	
C[C@H]1[C@H](C)C1(Cl)Sc1ccccc1	95627048	GJNDPBXIKNJNPJ-IUCAKERBSA-N	212.745	4.000	0	50	BHAA	
CC(C)=CCN[C@H]1CCCC[C@@H]1C(F)(F)F	124219872	PVOIFZGYKRDEJD-QWRGUYRKSA-N	235.293	3.663	0	50	BHAA	
Fc1c(OC(F)F)ccc(Cl)c1Cl	263623261	GADWTKUNVZEIMA-UHFFFAOYSA-N	231.000	3.734	0	50	BHAA	
CSc1ccc(-c2cccc(C(=O)O)c2)cc1	2528973	BJBNXCLQJHPZDB-UHFFFAOYSA-N	244.315	3.774	0	50	BHAA	in-vitro
CCc1cc(Br)ccc1Cl	2567830	ILQNJGBEXZUYOI-UHFFFAOYSA-N	219.509	3.665	0	50	BHAA	in-vitro
CCc1cccc(C)c1NC(=O)C(C)(C)C	5471661	GTRGFYZPKVAHCN-UHFFFAOYSA-N	219.328	3.542	0	50	BHAA	
c1ccc(C2=NN=C(c3ccccc3)[C@@H]3C[C@H]23)cc1	45070408	NSZKAWDFECVDTH-GASCZTMLSA-N	246.313	3.530	0	50	BHAA	
c1ccc(-c2ccccc2-c2cncnc2)cc1	67803355	QFZVUNZSTMGYPF-UHFFFAOYSA-N	232.286	3.811	0	50	BHAA	
CC(=O)c1csc2ccc(Cl)cc12	71261612	XDMSMJRHOBFWDD-UHFFFAOYSA-N	210.685	3.757	0	50	BHAA