smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C=NC[C@@H]1CC=CCC1	62822194	YXECUWXYZZZJNN-MRVPVSSYSA-N	137.182	1.679	50	30	ADGC	in-vitro
F[C@H](CCl)CBr	100359000	FUJNUMBHVIGAIS-VKHMYHEASA-N	175.428	1.958	50	30	ADGC	
COC(=O)[C@H]1CCC[C@@H](N=C=O)C1	95883642	WLMBUNJMERBCDA-JGVFFNPUSA-N	183.207	1.054	50	30	ADGC	
CC(C)(C)[C@H](Br)C(N)=O	33506021	PLXPZSSUCGOIHP-SCSAIBSYSA-N	194.072	1.281	50	30	ADGC	in-vitro
O=C(O)[C@@H]1C[C@H]1CBr	113735636	IWQSHSVDKSNJTQ-IUYQGCFVSA-N	179.013	1.102	50	30	ADGC	
O[C@@H]1CC[C@H](Br)C1	39111752	NYSPEDOPWWKUSB-CRCLSJGQSA-N	165.030	1.295	50	30	ADGC	
CSc1ncc(CCl)cn1	95642172	RZKYCJRBHZIQBU-UHFFFAOYSA-N	174.656	1.937	50	30	ADGC	
Cc1cc(CCl)[nH]c(=O)c1	71621406	NIWMJDKXFSRDIG-UHFFFAOYSA-N	157.600	1.422	50	30	ADGC	
C[C@]1(CCl)CCCC1=O	96300603	XWYYBAHMEJIMKQ-SSDOTTSWSA-N	146.617	1.985	50	30	ADGC	in-vitro
BrC[C@@H]1[C@H]2COC[C@H]21	307071121	FZYAMPNKYDQDLQ-STNDOWJSSA-N	177.041	1.274	50	30	ADGC	
O=NN1C[C@@H](Cl)[C@H](Cl)C1	5157254	NXUCOCMJAHWYNO-QWWZWVQMSA-N	169.011	1.198	50	30	ADGC	
CC[C@H](Br)CO	39641964	LMEOVPMTQBNCFK-BYPYZUCNSA-N	153.019	1.152	50	30	ADGC	in-vitro
CC[C@H](C)[C@@H](Cl)C(=O)OC	50978164	MRRYXOOOYHVKPE-NTSWFWBYSA-N	164.632	1.813	50	30	ADGC	
N#CC1(CCCl)CC1	200034478	LMUJNTRYVRKXIA-UHFFFAOYSA-N	129.590	1.919	50	30	ADGC	
C=CCC(=C)C#N	32213355	ITVDLIQJPKHJKD-UHFFFAOYSA-N	93.129	1.642	50	30	ADGC	
CC(C)(CBr)N=C=O	34300514	OABJEGJSTFRKGQ-UHFFFAOYSA-N	178.029	1.496	50	30	ADGC	
N#Cc1nc(CCl)cs1	138286614	YALLSKPSLQQIBF-UHFFFAOYSA-N	158.613	1.754	50	30	ADGC	
CC1(C)OC(=O)[C@H](Br)O1	196595948	DZKXKWQAIUPQIR-GSVOUGTGSA-N	195.012	1.017	50	30	ADGC	
ClCOC(Cl)Cl	82152347	MCXRKNYHEMVMIT-UHFFFAOYSA-N	149.404	1.961	50	30	ADGC	
ClC[C@@]12CCCN(CC1)C2	334163799	HQDCOGLMVQYLCB-MRVPVSSYSA-N	159.660	1.711	50	30	ADGC	
C[C@H]1CN2C(=S)SSC2=N1	2265356065	HBPWLKZHSGCXBC-VKHMYHEASA-N	190.318	1.726	50	30	ADGC	
C=CC(=O)OCCOC(=O)Cl	33506635	PBTDMHUAEDVFPJ-UHFFFAOYSA-N	178.571	1.091	50	30	ADGC	
N#C/C=C1\C=CC(=O)C(O)=C1	138735536	VUUYLLQTKCSWQY-ZZXKWVIFSA-N	147.133	1.017	50	30	ADGC	
CO[C@@H]1C=CC[C@@H]1Br	39090006	YDGCHIHYOQSJBH-NTSWFWBYSA-N	177.041	1.725	50	30	ADGC	
CCC/C(O)=C/C#N	105573992	GKFWLOJCVPZAFR-XQRVVYSFSA-N	111.144	1.752	50	30	ADGC	
CN(C)P(=O)(CCCl)N(C)C	238338463	GAHWSEPKTMGQFF-UHFFFAOYSA-N	198.634	1.542	50	30	ADGC	
C[C@@H]1CO[C@@](C)(CCl)O1	104712805	YSCQRQXPDXMINY-PHDIDXHHSA-N	150.605	1.377	50	30	ADGC	
COC(=O)[C@H](Br)C1CC1	222110198	PNUIIPDSXRMQKT-RXMQYKEDSA-N	193.040	1.333	50	30	ADGC	
CO[C@H]1C[C@@H]1Br	238364811	BLBYSMUZLRWJHM-IMJSIDKUSA-N	151.003	1.169	50	30	ADGC	
COC(=O)[C@@]1(C)C[C@H]1Br	39234109	IQHRBUGQFSFNHZ-XINAWCOVSA-N	193.040	1.333	50	30	ADGC	
C=CC[C@@H](Br)CO	59710945	GWGPDEPSLVJSKP-RXMQYKEDSA-N	165.030	1.318	50	30	ADGC	
C=C[C@H]1C[C@H]1Br	95923340	ANHOWYMDRHBUGX-CRCLSJGQSA-N	147.015	1.956	50	30	ADGC	
CCCC[C@H](Cl)C(=O)OC	5514583	ZKEGALQDZGNQIK-LURJTMIESA-N	164.632	1.957	50	30	ADGC	
C/C(O)=C/C=C/C=O	39067097	IRFQOBGTFJFTMD-ZPYFUIHZSA-N	112.128	1.203	50	30	ADGC	
Cc1nnc(CBr)[nH]1	306363879	ZPIJKIRSFZVXGY-UHFFFAOYSA-N	176.017	1.008	50	30	ADGC	
CC[C@@H](Br)C(C)=O	34075701	VKJQRFXZZVMMGA-RXMQYKEDSA-N	165.030	1.749	50	30	ADGC	in-vitro
C/C=C(\C)N=C=O	223619706	BXRMCPOODKVANF-HWKANZROSA-N	97.117	1.246	50	30	ADGC	
O[C@H]1CC[C@H](Br)C1	39111754	NYSPEDOPWWKUSB-WHFBIAKZSA-N	165.030	1.295	50	30	ADGC	
C=CCOC(=O)[C@@H](C)Cl	32154385	FDCTVCOKDZZPRP-RXMQYKEDSA-N	148.589	1.343	50	30	ADGC	
COC(=O)C(C)(C)CBr	113155583	AMHWPZMEUOZYNT-UHFFFAOYSA-N	195.056	1.581	50	30	ADGC	
BrC[C@@H]1C[C@@]12CCOC2	88161713	TVNMGTNGTKSCFB-NKWVEPMBSA-N	191.068	1.808	50	30	ADGC	
COc1cccc2c1OC/C2=C/C#N	100242588	ACWXQCUOWXLDFU-YVMONPNESA-N	187.198	1.995	50	30	ADGC	
CC1(C(=O)CBr)CC1	39054925	VCUXURBVRXWSQQ-UHFFFAOYSA-N	177.041	1.751	50	30	ADGC	
Cc1sc(C)c2c1C(=O)OC2=O	222373837	OTWYREGVOYREQQ-UHFFFAOYSA-N	182.200	1.676	50	30	ADGC	
Br[C@@H]1[C@H]2CCCO[C@H]21	238024773	WILLARUMZBKVRW-HSUXUTPPSA-N	177.041	1.559	50	30	ADGC	
COC[C@]1(C)C[C@H]1Br	238392618	UHIUMKWQIFASMH-RITPCOANSA-N	179.057	1.806	50	30	ADGC	
Nc1ccc(C(=O)CCl)cc1	36197356	PMVLUYJPOCBXNS-UHFFFAOYSA-N	169.611	1.690	50	30	ADGC	in-vitro
C=C(CBr)[C@H](C)O	38949247	DOAIDTIGLBTDQG-YFKPBYRVSA-N	165.030	1.318	50	30	ADGC	
O=C(O)c1cccc(CCl)n1	60120106	RSHQMUWHPKLSSO-UHFFFAOYSA-N	171.583	1.519	50	30	ADGC	
CC[C@H](Cl)C=O	75517588	PZGXJYSPQYRCBB-BYPYZUCNSA-N	106.552	1.203	50	30	ADGC	in-vitro
CO[Si]1(OC)CCC1	195751565	GZUPUZMCIXFGMH-UHFFFAOYSA-N	132.235	1.125	50	30	ADGC	
Nc1nc(CCCl)cs1	104733954	QFUCGBSZHUUMJS-UHFFFAOYSA-N	162.645	1.507	50	30	ADGC	in-vitro
CC(C)OC(=O)C(Cl)Cl	5760684	JBTISLVNJCYZCH-UHFFFAOYSA-N	171.023	1.742	50	30	ADGC	
C[C@H](O)[C@H](C)Br	39238141	JCYSVJNMXBWPHS-IMJSIDKUSA-N	153.019	1.151	50	30	ADGC	
N#C/C=C1\CSC(=S)N1	204957427	DPUAAZOPCAPQJH-DAFODLJHSA-N	156.235	1.015	50	30	ADGC	
N[C@H]1CCCC[C@@H]1Cl	4963379	RTZWBJIYBWNJMR-WDSKDSINSA-N	133.622	1.495	50	30	ADGC	
CC(=O)SCBr	139507901	RLEILGCPRGJZND-UHFFFAOYSA-N	169.043	1.619	50	30	ADGC	
ClC1=NO[C@@H](CBr)C1	238510694	MDJFWZMNJLJNRR-GSVOUGTGSA-N	198.447	1.723	50	30	ADGC	
O=C(O)C(F)(F)[C@@H](F)Cl	37625051	IIJWIPPCXINBOZ-PVQJCKRUSA-N	162.494	1.241	50	30	ADGC	
CCN(C[C@H](C)C#N)C(=O)CCl	37654217	TVVPJGXZGOPTSI-SSDOTTSWSA-N	188.658	1.233	50	30	ADGC	in-vitro
Cn1cncc1CCCl	78750117	MUKCVIKDCGNNOW-UHFFFAOYSA-N	144.605	1.201	50	30	ADGC	
O=C1CC[C@@H](Br)O1	3604139	SRXYQTZEGZGPCA-VKHMYHEASA-N	164.986	1.044	50	30	ADGC	
COC[C@]1(C)C[C@@H]1Br	238392540	UHIUMKWQIFASMH-WDSKDSINSA-N	179.057	1.806	50	30	ADGC	
CO[C@@H]1CCC[C@H](C(=O)Cl)C1	4267807	JOZLFZQRVYHFFA-NKWVEPMBSA-N	176.643	1.957	50	30	ADGC	in-vitro
CCCn1c(C)nnc1CCl	88613618	CMRBAFJSNDABKP-UHFFFAOYSA-N	173.647	1.735	50	30	ADGC	in-vitro
COC(=O)CC[C@H](C)Cl	59653638	UHNCLQCIKXIBSA-YFKPBYRVSA-N	150.605	1.567	50	30	ADGC	in-vitro
ClCc1nnc2n1CCCCC2	72416250	WEJVBYRWGNPQGZ-UHFFFAOYSA-N	185.658	1.743	50	30	ADGC	in-vitro
COC(=O)CCSC(=O)Cl	135882320	GCCIWCGXEOQTLO-UHFFFAOYSA-N	182.628	1.642	50	30	ADGC	
O=C=Nc1cccc2c1OCCO2	36330575	YFGBWLFFSJBYRU-UHFFFAOYSA-N	177.159	1.425	50	30	ADGC	
N#CSCCO[C@@H]1CCCCO1	39090306	JIASUNXUWUFBAE-MRVPVSSYSA-N	187.264	1.744	50	30	ADGC	
C[C@H](F)CC(=O)[C@@H](C)Cl	39125529	AFUFEVYTJGAVSL-CRCLSJGQSA-N	152.596	1.931	50	30	ADGC	
CC(C)COO	60281319	FUHWWEDRJKHMKK-UHFFFAOYSA-N	90.122	1.132	50	30	ADGC	
COC(=O)[C@H]1CCC[C@H](N=C=O)C1	95883640	WLMBUNJMERBCDA-YUMQZZPRSA-N	183.207	1.054	50	30	ADGC	
O=[P@@]1(Cl)NCCCO1	137601980	KTJQXXIVWRXBCC-MRVPVSSYSA-N	155.521	1.343	50	30	ADGC	
COC(=O)[C@]1(C)C[C@@H]1Br	196445683	IQHRBUGQFSFNHZ-UJURSFKZSA-N	193.040	1.333	50	30	ADGC	
Cc1nsc(CCl)n1	141891044	DJJZSIWREROECK-UHFFFAOYSA-N	148.618	1.585	50	30	ADGC	
Cn1cncc1CCBr	85169440	VPNKUAUGNSLDCM-UHFFFAOYSA-N	189.056	1.358	50	30	ADGC	
C=C(C=O)C(C)(C)C	21998732	DHGPQZABCDXAEA-UHFFFAOYSA-N	112.172	1.788	50	30	ADGC	in-vitro
O=C/C=C/C=CBr	2265352398	WKFJJJAAEKCXJP-WZNPJAPVSA-N	160.998	1.650	50	30	ADGC	
O=Cc1cccc(CCl)n1	95756140	NTSHGAIJIVCWSJ-UHFFFAOYSA-N	155.584	1.633	50	30	ADGC	
CC(Cl)(Cl)C(=O)CCl	33605260	QEDMPSNPCVGZLV-UHFFFAOYSA-N	175.442	1.988	50	30	ADGC	
O=CC=C(Cl)Cl	2035964	YCOYDSQEOWWYDT-UHFFFAOYSA-N	124.954	1.504	50	30	ADGC	in-vitro
C[C@@H](Br)C(C)(C)N	34172682	YRQWLFYXZKNMNM-SCSAIBSYSA-N	166.062	1.507	50	30	ADGC	
O=C=NC[C@H]1C=CCC1	95883711	YDZGIOOCUXHUSX-ZETCQYMHSA-N	123.155	1.288	50	30	ADGC	in-vitro
[C-]#[N+]C1CCSCC1	106166243	KNPBPMRLSZHKLT-UHFFFAOYSA-N	127.212	1.801	50	30	ADGC	
C[C@H]1CO[C@](C)(CCl)O1	104712816	YSCQRQXPDXMINY-WDSKDSINSA-N	150.605	1.377	50	30	ADGC	
COC(=O)NN=Cc1ccccc1	13110503	YUOINGYJYUCXIW-UHFFFAOYSA-N	178.191	1.377	50	30	ADGC	
N#C/C=C1\CCC[C@@H]1C(=O)O	39066134	SFCPMSITVOCEHB-KNIZRNDPSA-N	151.165	1.321	50	30	ADGC	
C[C@](C#N)(N=C=O)c1ccccc1	39255924	KVJBLQINBRYCDF-SNVBAGLBSA-N	172.187	1.761	50	30	ADGC	
N#CC=C1CC(C#N)C1	114742218	FIQUORCYNLUYSF-UHFFFAOYSA-N	118.139	1.370	50	30	ADGC	
C[C@H](Cl)C(C)(C)O	80177720	YYHQXKBKFKTDMP-BYPYZUCNSA-N	122.595	1.385	50	30	ADGC	in-vitro
C#CCCN=C=S	69790760	MGPHLVWBWYWAGU-UHFFFAOYSA-N	111.169	1.113	50	30	ADGC	
ClCC[C@H]1CCCO1	78750120	QHYBFPVFYFQIDQ-ZCFIWIBFSA-N	134.606	1.794	50	30	ADGC	in-vitro
O=S(=O)(CCCl)C(F)(F)F	68592344	OKSNWBPKLICXKA-UHFFFAOYSA-N	196.577	1.160	50	30	ADGC	in-vitro
Cn1c(=O)oc2cc(CCl)ccc21	69803778	RPTVGPBAVWDIEM-UHFFFAOYSA-N	197.621	1.870	50	30	ADGC	
C[C@H](Cl)CNCCCl	78637436	YSJCPBULFZDLKJ-YFKPBYRVSA-N	156.056	1.442	50	30	ADGC	in-vitro
C=C(C#N)[C@H](C)OC(=O)OC	38312214	UFIUXQFAGXJEBJ-LURJTMIESA-N	155.153	1.238	50	30	ADGC	in-vitro
BrCc1cnsn1	39616409	LJZAHEYFCLYGND-UHFFFAOYSA-N	179.042	1.433	50	30	ADGC	
CCC[S@](=O)Cl	100555891	ILUVJGOKAOXNHT-ZCFIWIBFSA-N	126.608	1.299	50	30	ADGC	in-vitro
C[C@@H]1CC(=O)[C@@H]1Br	223716246	OKKJSIHCVICEGI-NQXXGFSBSA-N	163.014	1.359	50	30	ADGC	
OCC1CC(Br)C1	258093823	XBGLMJVUINDDMO-UHFFFAOYSA-N	165.030	1.152	50	30	ADGC	
CC(=O)N1C=C[C@@H](C)C(C=O)=C1	38865059	OUSTXDJSBKRROK-SSDOTTSWSA-N	165.192	1.081	50	30	ADGC	
O=C(CCl)c1nccs1	39054775	NCSQLJMVLJILDV-UHFFFAOYSA-N	161.613	1.565	50	30	ADGC	
C=C(O)CCC(=C)C#N	100217389	QMUHFGRSORZITF-UHFFFAOYSA-N	123.155	1.918	50	30	ADGC	
Cc1ccc(CCl)nn1	138277951	GXWJVKXHDOLTCQ-UHFFFAOYSA-N	142.589	1.524	50	30	ADGC	
CCC(C)(C)[C@@H]1CC(=O)OC1=O	195761581	LTRNXIUJQOCKLN-ZCFIWIBFSA-N	170.208	1.512	50	30	ADGC	
CN1CCC/C1=C\C#N	39073556	ISCVFPUOTPSSOQ-QPJJXVBHSA-N	122.171	1.119	50	30	ADGC	
O=C1OC(=O)[C@]23CCCC[C@@]12CC3	148141911	LBQXEDICLDLBGC-NXEZZACHSA-N	180.203	1.410	50	30	ADGC	
C[PH](C)(F)F	689663024	PAYZEPMELXJACY-UHFFFAOYSA-N	100.048	1.765	50	30	ADGC	
OC1CCC(CBr)CC1	145765194	ONPOTKLFNVQDGA-UHFFFAOYSA-N	193.084	1.932	50	30	ADGC	
CC(C)(CCl)n1cccn1	407986234	ZJUVDRBMMJHZSL-UHFFFAOYSA-N	158.632	1.857	50	30	ADGC	
CCSCCl	5921847	XZCHJYXUPALGHH-UHFFFAOYSA-N	110.609	1.936	50	30	ADGC	in-vitro
O=C(Cl)N1CCSCC1	86336174	GSQGGQTWPPNNGZ-UHFFFAOYSA-N	165.645	1.394	50	30	ADGC	in-vitro
O=C=Nc1ccnc(F)c1	95642704	GSCOAZZIWURTHX-UHFFFAOYSA-N	138.101	1.188	50	30	ADGC	
CN=S(F)F	143056071	NMNSZWXIEHDZQK-UHFFFAOYSA-N	99.105	1.187	50	30	ADGC	
C[C@@H]1CC(=O)[C@H]1Br	223716357	OKKJSIHCVICEGI-WUJLRWPWSA-N	163.014	1.359	50	30	ADGC	
N#C[C@@H](O)c1cccc(Cl)c1	85546887	VITRCPVSCQOAFP-MRVPVSSYSA-N	167.595	1.897	50	30	ADGC	
CC1(C)COCCN1C(=O)Cl	86894043	JADSAESBYIBJPN-UHFFFAOYSA-N	177.631	1.456	50	30	ADGC	
OC1(CBr)CCCC1	88107899	KNHNDXZLDMLMOR-UHFFFAOYSA-N	179.057	1.686	50	30	ADGC	
N#CC(=O)NN=C1CCCCCC1	138050982	FWOCEVBVQPJWOT-UHFFFAOYSA-N	179.223	1.336	50	30	ADGC	
C[C@H]1CC(=O)[C@@H]1Br	223716302	OKKJSIHCVICEGI-WVZVXSGGSA-N	163.014	1.359	50	30	ADGC	
CCCn1ccnc1C(=O)Cl	39056410	ONGKDTLVSUBXMT-UHFFFAOYSA-N	172.615	1.672	50	30	ADGC	
O=C(Cl)[C@H](Cl)C(=O)CCl	111896750	FLQXWQNUQVUSNB-GSVOUGTGSA-N	189.425	1.167	50	30	ADGC	
CC(C)N(C)CCCl	1748808	LXARWMYOCCWJQI-UHFFFAOYSA-N	135.638	1.565	50	30	ADGC	
N#C[C@@H](O)c1cccs1	85573996	MDOLBFYWOIYESI-RXMQYKEDSA-N	139.179	1.305	50	30	ADGC	
CO[C@H]1C(C)=CN=C(CCl)N1C	223708375	CTZRDIRKFCSHFF-QMMMGPOBSA-N	188.658	1.445	50	30	ADGC	
BrC[C@@H]1COCCCO1	237987003	LLCPJHFMUBGJLZ-ZCFIWIBFSA-N	195.056	1.187	50	30	ADGC	
O=CC1=CCC[C@@H]2C[C@@]12C=O	100052906	SGBMCPLPBYSHKJ-APPZFPTMSA-N	150.177	1.111	50	30	ADGC	
C=C[C@H](C)N=C=S	138949371	BZLACDYSFVHYEZ-YFKPBYRVSA-N	113.185	1.664	50	30	ADGC	
CC(C)N(C)CCBr	40989842	ZPJSRPLSQZWOOO-UHFFFAOYSA-N	180.089	1.722	50	30	ADGC	
CC1=NN(C)C(=S)[C@H]1C(=O)Cl	100104625	XPWUKACTKUWAJO-SCSAIBSYSA-N	190.655	1.017	50	30	ADGC	
FC1(F)[C@H](Cl)[C@@H]1Cl	100239115	AKMXXLLXLPFVQZ-XIXRPRMCSA-N	146.951	1.850	50	30	ADGC	
CCCCN(N=O)C(=O)OC	33640891	IYZOAESALFCOKR-UHFFFAOYSA-N	160.173	1.536	50	30	ADGC	
COC(=O)[C@@H](C)[C@@H](C)Br	148011308	DLRNLDASULNNIJ-CRCLSJGQSA-N	195.056	1.579	50	30	ADGC	
CCO[C@@H]1C[C@H]1Br	196687130	ZWWCCVSLTYAXLH-RFZPGFLSSA-N	165.030	1.559	50	30	ADGC	
Cc1cc(C(=O)O)ncc1CCl	238532028	SNBHDBZRMIDOSZ-UHFFFAOYSA-N	185.610	1.827	50	30	ADGC	
CC(C)C(=O)O[C@H](C)Cl	39406388	HGBDENWEGVXBJB-RXMQYKEDSA-N	150.605	1.770	50	30	ADGC	in-vitro
CC(C)CC(=O)COO	100534465	WIJQJQZZCNTOCF-UHFFFAOYSA-N	132.159	1.091	50	30	ADGC	
COc1coc(CSC#N)cc1=O	39090627	JQSYJYXRMKSGFK-UHFFFAOYSA-N	197.215	1.363	50	30	ADGC	
O=C1C=CC[C@@H]1Br	39128077	XCRIPBQNBNUFRP-BYPYZUCNSA-N	160.998	1.279	50	30	ADGC	
Cn1cc(CBr)cc1C#N	238543642	XNDSGNKDUNGPNM-UHFFFAOYSA-N	199.051	1.792	50	30	ADGC	
C=C/C(C=O)=C\C	38611784	XOBGIOGZLQNHMM-GQCTYLIASA-N	96.129	1.318	50	30	ADGC	
COc1ccc(/C(N)=C(\C)C#N)cc1	95929189	KDVPKCGRSDZCKH-FLIBITNWSA-N	188.230	1.908	50	30	ADGC	
C[C@]1(CBr)CCCO1	87230394	FCRGNIOWVNCUGM-ZCFIWIBFSA-N	179.057	1.950	50	30	ADGC	in-vitro
CN(C)c1ncc(CCl)s1	138239007	VUZSBNYGHZKKIE-UHFFFAOYSA-N	176.672	1.948	50	30	ADGC	
C[C@@H](O)[C@@H](C)Br	38292483	JCYSVJNMXBWPHS-QWWZWVQMSA-N	153.019	1.151	50	30	ADGC	
O=C1C=CC(=O)C(SS)=C1	113905783	DPSAITMUQURMRI-UHFFFAOYSA-N	172.230	1.156	50	30	ADGC	
COc1cccc(C(=O)Cl)n1	215551360	NQDGFDNSIYDMJW-UHFFFAOYSA-N	171.583	1.469	50	30	ADGC	
ClCCOCC[n+]1ccccc1	44712552	SYAFRIZYNBSCRB-UHFFFAOYSA-N	186.662	1.230	50	30	ADGC	
CCOC(=O)CC(=O)CCCCl	135888228	YFDQPUOWFBNCSJ-UHFFFAOYSA-N	192.642	1.528	50	30	ADGC	
C[C@H](Br)C1OCCO1	32219522	ZMASOHJVZRWBCX-BYPYZUCNSA-N	181.029	1.143	50	30	ADGC	
CC[C@H]1C[C@H](Br)C(=O)O1	114964945	LGWUAVWPMYBCTB-WHFBIAKZSA-N	193.040	1.475	50	30	ADGC	
C[C@@H](/C=C/C=O)NC(=O)OC(C)(C)C	36467005	ZEUFPGBWKQBRLS-GJIOHYHPSA-N	199.250	1.655	50	30	ADGC	
CC[C@@H](C)[C@H](Cl)C(=O)OC	50978155	MRRYXOOOYHVKPE-RITPCOANSA-N	164.632	1.813	50	30	ADGC	
CC(C)C[S@](=O)Cl	59101829	BFDUPJOIMXDACJ-SSDOTTSWSA-N	140.635	1.545	50	30	ADGC	
CC[C@H]1O[C@@H]1CBr	118695932	LKYCAAULXGRNFC-RFZPGFLSSA-N	165.030	1.559	50	30	ADGC	
C[C@@H]1C[C@@H]1C(=O)OC(=O)[C@@H]1C[C@H]1C	252188313	UPWQEUMJRMEGGL-XUTVFYLZSA-N	182.219	1.368	50	30	ADGC	
CC(C)CC(=O)CCl	34133392	QVMRSFQXWJGXRL-UHFFFAOYSA-N	134.606	1.840	50	30	ADGC	in-vitro
[C-]#[N+][C@@](C)(CC(C)C)C(=O)OC	95698032	WBBLGBLTTADXTD-VIFPVBQESA-N	169.224	1.883	50	30	ADGC	
C=CC(C)(C)N=C=O	117231790	JZZKQPVRJZXDKC-UHFFFAOYSA-N	111.144	1.287	50	30	ADGC	
C/C=C(/C#N)CN1CCCC1	39080109	DFKYBIRQEMXONF-MBXJOHMKSA-N	150.225	1.552	50	30	ADGC	
CC(F)(F)[C@H](Cl)C(=O)O	116895791	LVIQNNJPPNITPS-UWTATZPHSA-N	158.531	1.334	50	30	ADGC	
O=C=Nc1cccc(O)c1	39235690	BVOIFIHUIVLWMZ-UHFFFAOYSA-N	135.122	1.360	50	30	ADGC	
O[C@@H]1CC[C@@H](Br)C1	39111753	NYSPEDOPWWKUSB-RFZPGFLSSA-N	165.030	1.295	50	30	ADGC	
OB(O)[C@H]1C[C@@H]1c1ccccc1	196031178	JUMGFYYVCWOJDO-BDAKNGLRSA-N	161.997	1.017	50	30	ADGC	in-vitro
CCN(CC)C(=O)CCCl	5470469	AUAQTCSKOHARRK-UHFFFAOYSA-N	163.648	1.484	50	30	ADGC	
C[C@H](Br)CCC(=O)O	34589403	XILQGXZARXHSEI-BYPYZUCNSA-N	181.029	1.635	50	30	ADGC	in-vitro
C[C@H](F)CC(=O)[C@H](C)Cl	39125531	AFUFEVYTJGAVSL-WHFBIAKZSA-N	152.596	1.931	50	30	ADGC	
C[C@@H]1[C@@H](N=C=O)CCC[C@H]1N=C=O	256081454	OHTRJOZKRSVAOX-AYMMMOKOSA-N	180.207	1.215	50	30	ADGC	
O=C(Cl)c1cccc2n[nH]nc12	39056590	FKTIXGCTNSWZRY-UHFFFAOYSA-N	181.582	1.337	50	30	ADGC	
FC(F)(F)c1n[nH]c(CCl)n1	138278680	ZWYGGQRIUYTOLQ-UHFFFAOYSA-N	185.536	1.562	50	30	ADGC	
O=C=NCCCCCl	34172133	DLOJFZYDDGVUCK-UHFFFAOYSA-N	133.578	1.341	50	30	ADGC	
ClCc1cn(C2CC2)nn1	238532819	GBFJKICHUCJUDY-UHFFFAOYSA-N	157.604	1.352	50	30	ADGC	
O=CC1=C(Cl)[C@@H](C=O)CCC1	4979171	LRJWYIUXHTVYCT-ZCFIWIBFSA-N	172.611	1.677	50	30	ADGC	
CC(C)c1ccccc1NC(=O)NN	36948046	MILZRQGGMVOOHO-UHFFFAOYSA-N	193.250	1.805	50	30	ADGC	
CSC(=O)CCl	34477596	QASUKTWOCVXMIO-UHFFFAOYSA-N	124.592	1.115	50	30	ADGC	
Br[C@@H]1[C@@H]2CCCO[C@@H]12	238022978	WILLARUMZBKVRW-KVQBGUIXSA-N	177.041	1.559	50	30	ADGC	
CC(=O)[C@@H](Cl)C(=O)c1ccco1	100195767	FTWSWUBXGYBFDT-SSDOTTSWSA-N	186.594	1.659	50	30	ADGC	
CC/C=C(/C)C#N	2010900	MLPZAALXVQOBFB-XQRVVYSFSA-N	95.145	1.866	50	30	ADGC	
Nc1ccc(CBr)cn1	35569804	KIAYQSNDVYAVKN-UHFFFAOYSA-N	187.040	1.559	50	30	ADGC	in-vitro
C=CCOCCCBr	36724015	AICDXNNCCSZNJA-UHFFFAOYSA-N	179.057	1.974	50	30	ADGC	
CC(=O)[C@H](Cl)C(=O)c1ccco1	100195764	FTWSWUBXGYBFDT-ZETCQYMHSA-N	186.594	1.659	50	30	ADGC	
NCC1(CBr)CCC1	717607944	PRCXTRGDNRIGER-UHFFFAOYSA-N	178.073	1.510	50	30	ADGC	
ClC1Oc2ccccc2O1	34317617	ASGZUCKWTDGRDX-UHFFFAOYSA-N	156.568	1.980	50	30	ADGC	
FCCCN=C=S	307327531	UZKAEXNYIPTWDE-UHFFFAOYSA-N	119.164	1.449	50	30	ADGC	
O=C(O)[C@H]1CCC[C@@H](Cl)C1	39374617	VORTYYQNYKCRCZ-NTSWFWBYSA-N	162.616	1.869	50	30	ADGC	
CC(C)[C@H](O)CCl	104723614	OATUOZRGCOGQQF-RXMQYKEDSA-N	122.595	1.242	50	30	ADGC	in-vitro
NC12CC(CCl)(C1)C2	2265384593	XFCVVWUWLBOPFX-UHFFFAOYSA-N	131.606	1.107	50	30	ADGC	
N#Cc1ccccc1C(=O)CCl	2040070	QLWBWNBFUCQEJM-UHFFFAOYSA-N	179.606	1.980	50	30	ADGC	
N#CSc1ccccc1N	39048644	ALCSIGNRSZDGBF-UHFFFAOYSA-N	150.206	1.842	50	30	ADGC	
C[C@H](Br)CC1OCCO1	49811412	YBIWPLUCPRZQRM-YFKPBYRVSA-N	195.056	1.533	50	30	ADGC	
O=[S@@](Cl)OCC(F)(F)F	196492929	AIHMJGXLBQZKSF-SECBINFHSA-N	182.550	1.383	50	30	ADGC	in-vitro
C[C@@H](Cl)[C@H](Cl)C=O	1691498	KYBNZGCYBVOCEO-QWWZWVQMSA-N	140.997	1.420	50	30	ADGC	
CC(C)NC(=O)OCCl	34448429	LKWVBNULHZTTAW-UHFFFAOYSA-N	151.593	1.317	50	30	ADGC	
O=C1NCCCCC[C@H]1Cl	75824159	RVTQUNOCGRKGTN-ZCFIWIBFSA-N	161.632	1.284	50	30	ADGC	in-vitro
O=C(CCl)n1ncc2ccccc21	39055142	VRGWPFNPVNVQCV-UHFFFAOYSA-N	194.621	1.915	50	30	ADGC	
O=C=NCCc1ccccc1[N+](=O)[O-]	71373562	ASPBFBMEOAEJNS-UHFFFAOYSA-N	192.174	1.473	50	30	ADGC	
O=C(Cl)CCC1CC1	40442800	ZIEVFLGQZXYLRV-UHFFFAOYSA-N	132.590	1.942	50	30	ADGC	
Cc1ccc([C@@H](C)N=C=O)o1	62822162	QSNHNVBWHPEEKK-SSDOTTSWSA-N	151.165	1.985	50	30	ADGC	in-vitro
CCOCn1cccc1C(=O)Cl	39056740	QRMARSYYSIBGPM-UHFFFAOYSA-N	187.626	1.861	50	30	ADGC	
Oc1ccc(O)c([C@@H](O)Cl)c1	223460988	GTLYTLMCMJETRH-SSDOTTSWSA-N	174.583	1.328	50	30	ADGC	
C=CC(=O)OC[C@@H](Cl)CCl	5157570	VNBVMEJAPNHJSI-YFKPBYRVSA-N	183.034	1.562	50	30	ADGC	
CCOC(=O)[C@@H]1CC[C@H]1C(=O)Cl	39056888	CDYCAPOOETXJGE-PHDIDXHHSA-N	190.626	1.341	50	30	ADGC	
CC[C@@H]1C[C@H](Br)C(=O)O1	114964943	LGWUAVWPMYBCTB-UHNVWZDZSA-N	193.040	1.475	50	30	ADGC	
O=C=NC[C@H]1CC=CCC1	62822195	YXECUWXYZZZJNN-QMMMGPOBSA-N	137.182	1.679	50	30	ADGC	in-vitro
CC[C@@]1(C)OC(=O)N/C1=C\C#N	39094258	LAFSMRRWJJUUEP-RZAAKKIOSA-N	166.180	1.302	50	30	ADGC	
COc1ccncc1CCl	83141710	DVLWRRDACHRIHS-UHFFFAOYSA-N	157.600	1.829	50	30	ADGC	in-vitro
Br[C@@H]1CCCOCC1	83426299	OQXUHHBEGCYJID-ZCFIWIBFSA-N	179.057	1.950	50	30	ADGC	
CCOC(=O)[C@@H]1C[C@@H]1Br	98178247	SAZVRBIIIQJYQT-UHNVWZDZSA-N	193.040	1.333	50	30	ADGC	
CN(CC(F)(F)F)C(=O)Cl	86889866	QOKZVYAZXUDYIX-UHFFFAOYSA-N	175.537	1.839	50	30	ADGC	
O=C(Cl)[C@@H]1[C@H]2CC=CC[C@H]21	100198428	OQOMEKUYJUMXGM-ZMONIFLSSA-N	156.612	1.964	50	30	ADGC	
O=C1OC(=O)[C@@]23CCCC[C@]12CC3	148141708	LBQXEDICLDLBGC-UWVGGRQHSA-N	180.203	1.410	50	30	ADGC	
O=C=NCc1ccccc1[N+](=O)[O-]	59619709	VAUCNHHKSNPSBG-UHFFFAOYSA-N	178.147	1.431	50	30	ADGC	
Br[C@@H]1CC12CCOCC2	725268733	GHOMJCXNDMWYNF-ZCFIWIBFSA-N	191.068	1.950	50	30	ADGC	
CCOC(=O)c1cc(CCl)[nH]n1	27728262	HEQNGZJVFSUYGZ-UHFFFAOYSA-N	188.614	1.325	50	30	ADGC	
O=S(=O)(F)CCCCCF	95721475	VQSHEUCJEAGJCN-UHFFFAOYSA-N	172.196	1.426	50	30	ADGC	
Cl[C@H]1CCCO[C@H]1Cl	138675261	PHMXXMFOSQBXNV-CRCLSJGQSA-N	155.024	1.969	50	30	ADGC	
COC[C@H]1CCN(C(=O)Cl)C1	86894401	JXPITDVDBQCEKU-LURJTMIESA-N	177.631	1.314	50	30	ADGC	in-vitro
C[C@@H]1CCCN1C(=O)Cl	86889869	PYNWJDARHGISNW-RXMQYKEDSA-N	147.605	1.830	50	30	ADGC	
COC(=O)[C@](C)(F)CBr	33835149	YEPMIIDZZPEMFF-RXMQYKEDSA-N	199.019	1.283	50	30	ADGC	in-vitro
N[C@H]1CCC[C@H](Cl)C1	49588189	YZWGGFBANWSDLC-WDSKDSINSA-N	133.622	1.495	50	30	ADGC	
BrCc1cn[nH]c1	62778058	JHJBLQAEVUCPOQ-UHFFFAOYSA-N	161.002	1.305	50	30	ADGC	
ClCC[C@H]1CCOC1	82457369	UAPVJCWLMFDSPP-LURJTMIESA-N	134.606	1.652	50	30	ADGC	
COc1cccc2c1C=C(C#N)CO2	2001800	KSVQCKSTIKMJNF-UHFFFAOYSA-N	187.198	1.995	50	30	ADGC	
O=C=NC[C@@H]1C=CCC1	95883710	YDZGIOOCUXHUSX-SSDOTTSWSA-N	123.155	1.288	50	30	ADGC	in-vitro
O=C1CC[C@@H](Cl)C[C@H]1Cl	141981525	RYWOZNGENNUQOQ-RFZPGFLSSA-N	167.035	1.954	50	30	ADGC	
CCOC1=CC(O)=C(C=O)CC1	95924171	AISRPBTUBDBASK-UHFFFAOYSA-N	168.192	1.712	50	30	ADGC	
O=C(CCl)n1cc(Cl)cn1	6328676	ZKWZMXOJLCIKPH-UHFFFAOYSA-N	179.006	1.416	50	30	ADGC	
NCc1ccc(C(=O)Cl)cc1	32023518	QXLIYRDGWPUNTD-UHFFFAOYSA-N	169.611	1.524	50	30	ADGC	
CCC(C)(C)[C@H]1CC(=O)OC1=O	195761582	LTRNXIUJQOCKLN-LURJTMIESA-N	170.208	1.512	50	30	ADGC	
CC(=O)[C@H](Cl)C(=O)C(C)C	113989985	KYENGNWJVSTALZ-LURJTMIESA-N	162.616	1.408	50	30	ADGC	
C[C@@]1(C(=O)Cl)C[C@H]1Cl	39056045	CWGMHTUESZWIPO-NQXXGFSBSA-N	153.008	1.769	50	30	ADGC	
C[C@@H](Cl)[C@@H](Cl)C=O	1691500	KYBNZGCYBVOCEO-DMTCNVIQSA-N	140.997	1.420	50	30	ADGC	
CC[C@H](Br)C(=O)C(C)=O	200087143	LCHFNDTWTLPZGX-YFKPBYRVSA-N	193.040	1.318	50	30	ADGC	
ClCO[C@H]1CCCOC1	306173017	SZXKOJHBYAVSNO-LURJTMIESA-N	150.605	1.378	50	30	ADGC	
FC(F)c1noc(CCl)n1	306369797	CUFXWKSXCVKOJU-UHFFFAOYSA-N	168.530	1.746	50	30	ADGC	
N[C@@H]1CCC[C@H]1Br	74942428	YTSGAVHWZSBZAL-RFZPGFLSSA-N	164.046	1.261	50	30	ADGC	in-vitro
O=[S@](Cl)OCC(F)(F)F	196492944	AIHMJGXLBQZKSF-VIFPVBQESA-N	182.550	1.383	50	30	ADGC	in-vitro
O=c1cc(CCl)cc[nH]1	34085642	YWRJRFJXQDZWEO-UHFFFAOYSA-N	143.573	1.114	50	30	ADGC	in-vitro
CCCN1CCN(C(=O)Cl)CC1	39056839	JIWXNRDOBLWDBU-UHFFFAOYSA-N	190.674	1.373	50	30	ADGC	
CCC[C@H](Br)C(N)=O	39646043	SUQPMLQLMVIHIJ-BYPYZUCNSA-N	180.045	1.035	50	30	ADGC	
Oc1ccc(O)c([C@H](O)Cl)c1	223461045	GTLYTLMCMJETRH-ZETCQYMHSA-N	174.583	1.328	50	30	ADGC	
CC1(C)CCC(C#N)=C1N	1728918	KHIAKCIMIJQSIO-UHFFFAOYSA-N	136.198	1.543	50	30	ADGC	in-vitro
O=C1Cc2cc(F)ccc2C(=O)O1	118654075	JTVHSZKHCMQXFI-UHFFFAOYSA-N	180.134	1.065	50	30	ADGC	
BrCC1C[C@@H]2O[C@H]2C1	521399274	YXLRVVOMQKLKPQ-WDSKDSINSA-N	177.041	1.559	50	30	ADGC	in-vitro
CO[C@@H](Cl)CCl	5998253	LXEOQHPAKLYXTH-GSVOUGTGSA-N	128.986	1.437	50	30	ADGC	
O=C=NC(=O)c1cccs1	19408027	AGXGGAVHNIUTIJ-UHFFFAOYSA-N	153.162	1.224	50	30	ADGC	in-vitro
CC1(N=C=S)CC1	2583886	IXYSVTWPQJMXGP-UHFFFAOYSA-N	113.185	1.642	50	30	ADGC	in-vitro
COCc1cc(CCl)no1	45814193	VGBSQHXCJVGRDX-UHFFFAOYSA-N	161.588	1.560	50	30	ADGC	
NC[C@@H]1CCC[C@H](CCl)C1	307196379	PFHXWODBNLLFPJ-JGVFFNPUSA-N	161.676	1.990	50	30	ADGC	
CCN(CC)C(=O)N(C)N=O	5649622	IQUAIARLKRYQOY-UHFFFAOYSA-N	159.189	1.061	50	30	ADGC	
NNC(=O)[C@H]1CCCc2ccccc21	37390000	UFSXAIDNMJEWFX-JTQLQIEISA-N	190.246	1.096	50	30	ADGC	
O=CC1=C(C=O)[C@H]2CC[C@H]1C2	100047141	OECHJYCWIFNPOG-BQBZGAKWSA-N	150.177	1.111	50	30	ADGC	
CC(=O)N(CCl)CCl	1850351	IEKRAJMVKUYCNE-UHFFFAOYSA-N	156.012	1.228	50	30	ADGC	
CCC(CC)CN=C=O	130537413	RMCKFEFIZJHSCL-UHFFFAOYSA-N	127.187	1.758	50	30	ADGC	
N#CC1CC(Br)C1	237960885	LBRODAGZBGRWHA-UHFFFAOYSA-N	160.014	1.683	50	30	ADGC	
O=[S@@](Cl)CC(F)F	575461539	RQJKWBNFKCTQFK-SSDOTTSWSA-N	148.561	1.154	50	30	ADGC	
C/C=C(\C=O)c1ccncc1	104457563	NXXAYPWFUBOYPB-KRXBUXKQSA-N	147.177	1.684	50	30	ADGC	
C[C@@H](Cl)CC#N	6036081	USFXKDONTUYBAU-SCSAIBSYSA-N	103.552	1.527	50	30	ADGC	
OCCc1ccccc1CCl	39120354	AWSZEPRAZGZTIV-UHFFFAOYSA-N	170.639	1.960	50	30	ADGC	
ClCc1nc(-c2ccncn2)no1	69638826	ZPBYOBMASVOHIT-UHFFFAOYSA-N	196.597	1.265	50	30	ADGC	
N[C@@H](C(=O)Cl)C1=CCC=CC1	33985919	DQHZQFDDGPDMJT-SSDOTTSWSA-N	171.627	1.356	50	30	ADGC	
Cn1nc(CCl)cc1Cl	39088217	VIYVHOHOCBLPMU-UHFFFAOYSA-N	165.023	1.812	50	30	ADGC	in-vitro
CCOC(=O)N(C)C(=O)Cl	39283286	SNVGDEMHOMCIMA-UHFFFAOYSA-N	165.576	1.434	50	30	ADGC	
Cc1ncn(C)c1CBr	88189296	IXZHVSQUTGBJDD-UHFFFAOYSA-N	189.056	1.623	50	30	ADGC	
CCCC[S@](=O)Cl	135689094	LTQJJIHJWKUKKQ-SSDOTTSWSA-N	140.635	1.689	50	30	ADGC	
CC(C)(C)OC(=O)CCCN=C=O	146831304	SKOSBBQOIJQBGE-UHFFFAOYSA-N	185.223	1.444	50	30	ADGC	
C=CC(=O)CCCl	5192687	XLFDSXRUZDTNER-UHFFFAOYSA-N	118.563	1.370	50	30	ADGC	
BrCC1OCC=CCO1	38811998	AVEOEJODJLWEAJ-UHFFFAOYSA-N	193.040	1.310	50	30	ADGC	
CN1CC[C@H](CCCl)OC1=O	147148909	FADOXHFBIDUDJC-LURJTMIESA-N	177.631	1.456	50	30	ADGC	
COC(=O)CCCC(=O)[C@@H](C)Cl	238325080	VITSKVBTNATBGD-ZCFIWIBFSA-N	192.642	1.526	50	30	ADGC	
C[C@@H]1CCC[C@H](N=C=O)C1	62822014	UJVPXDHXSWWVTJ-SFYZADRCSA-N	139.198	1.901	50	30	ADGC	
ClCc1ccsn1	104686817	VJLLMWSPBFVMGO-UHFFFAOYSA-N	133.603	1.882	50	30	ADGC	
CC1(C)CC[C@H]1N=C=O	306598185	PHLVNABTABMIGU-ZCFIWIBFSA-N	125.171	1.511	50	30	ADGC	
CCC[C@]1(C(=O)Cl)CCOC1=O	39056892	XNIQBHZVJQWXOP-MRVPVSSYSA-N	190.626	1.485	50	30	ADGC	
CC[C@@H](CCl)NC(C)=O	39296058	HLJVYVLNPUSFJD-LURJTMIESA-N	149.621	1.140	50	30	ADGC	
CC(=O)[C@H](Cl)C(=O)OC(C)(C)C	138360682	ZTHHPFWQCBJKDK-LURJTMIESA-N	192.642	1.525	50	30	ADGC	in-vitro
O=Cc1ccccc1C(=O)Cl	39056287	QPOPOGXCFMHHLZ-UHFFFAOYSA-N	168.579	1.878	50	30	ADGC	in-vitro
CC[C@H](C)[C@H](Cl)CO	39342945	LAEZQMVVQHICOO-NTSWFWBYSA-N	136.622	1.632	50	30	ADGC	
C=CCCC(=O)CCl	88611803	OINKKDHHJHKMSW-UHFFFAOYSA-N	132.590	1.761	50	30	ADGC	in-vitro
Cc1nnc(CCCCl)o1	35658631	QVCKAKZLIVCEMX-UHFFFAOYSA-N	160.604	1.549	50	30	ADGC	
O[C@@H]1c2ccccc2C[C@H]1Cl	1717828	SKUCQUAQEKVSAQ-RKDXNWHRSA-N	168.623	1.884	50	30	ADGC	
C[C@@H]1CCO[C@@H]1CBr	124139679	UYAUKJPGWASXGX-PHDIDXHHSA-N	179.057	1.806	50	30	ADGC	
O=C1C[C@H](CCl)C12CCC2	2265384621	BHOBPHAMOOHDSV-ZCFIWIBFSA-N	158.628	1.985	50	30	ADGC	
O=C(CCCCl)N1CCCC1	1733470	OWZIEPLJGKVJOC-UHFFFAOYSA-N	175.659	1.628	50	30	ADGC	
S=C=NC[C@@H]1CCOC1	61146825	NIVJYFSASBKLNY-LURJTMIESA-N	143.211	1.126	50	30	ADGC	in-vitro
CC1=C[C@@H]2[C@H](C1)[C@H]2C(=O)Cl	5767430	MKFVRCBLWIBNLD-VQVTYTSYSA-N	156.612	1.964	50	30	ADGC	
C[C@]1(C(=O)Cl)CC1(F)F	34347226	UGUAVPGPLGNTQL-SCSAIBSYSA-N	154.543	1.797	50	30	ADGC	
COC(=O)[C@@H]1[C@@H](C(=O)Cl)C1(C)C	39056910	ONSOHWSBYGOQMM-WHFBIAKZSA-N	190.626	1.197	50	30	ADGC	
CS[C@H](C)Cl	39339665	XFVMALALJWFNST-GSVOUGTGSA-N	110.609	1.934	50	30	ADGC	
N[C@H]1CCC[C@@H](Cl)C1	49588184	YZWGGFBANWSDLC-RITPCOANSA-N	133.622	1.495	50	30	ADGC	
C[C@@H]1CCCC[C@@H]1N=C=O	39592495	VDVDIOHQFKXVFQ-SFYZADRCSA-N	139.198	1.901	50	30	ADGC	
C[C@@H]1C[C@H]1N=C=S	52289544	FEXIFGCTJNAXRN-RFZPGFLSSA-N	113.185	1.498	50	30	ADGC	
CC[C@@H](C)[C@@H](Cl)C(=O)OC	50978161	MRRYXOOOYHVKPE-PHDIDXHHSA-N	164.632	1.813	50	30	ADGC	
CCCOCCOC(=O)Cl	34319899	JLFKSIGEAIQWKD-UHFFFAOYSA-N	166.604	1.788	50	30	ADGC	in-vitro
N#CC1=C2CCC(=O)N2CCC1	34448683	HTMKXXGLRASHSL-UHFFFAOYSA-N	162.192	1.180	50	30	ADGC	
N#C[C@@H](Br)C1CC1	127635715	VQBHWDFLINNKOF-RXMQYKEDSA-N	160.014	1.683	50	30	ADGC	
N#CSc1cncs1	39134806	IGHCJQAGPOQQPR-UHFFFAOYSA-N	142.208	1.716	50	30	ADGC	
CCCNC(=O)Cl	39207114	HDKDXERLOZVYAK-UHFFFAOYSA-N	121.567	1.345	50	30	ADGC	
N=C(N)CCCBr	2547088	ZQGFRZZBIGYRTK-UHFFFAOYSA-N	165.034	1.097	50	30	ADGC	
O=C(Cl)c1cc(O)c(O)c(O)c1	33506280	OHIRDULWWGGNJG-UHFFFAOYSA-N	188.566	1.182	50	30	ADGC	
CCCCN(N=O)C(=O)N(C)C	5821152	PRGVZPQYBQXJOV-UHFFFAOYSA-N	173.216	1.452	50	30	ADGC	
COc1ccc(C(=O)CCl)cn1	39148117	BANMWFRVMMVLRO-UHFFFAOYSA-N	185.610	1.512	50	30	ADGC	
COC1=C(C#N)CC1(F)F	2265385021	QEFJYKBCOPBRID-UHFFFAOYSA-N	145.108	1.449	50	30	ADGC	
N#CSc1ccc(C(=O)O)cc1	2018332	ZXHCITRMALCKPV-UHFFFAOYSA-N	179.200	1.958	50	30	ADGC	
BrCc1csnn1	83119908	QNECNSWDCCIQFB-UHFFFAOYSA-N	179.042	1.433	50	30	ADGC	in-vitro
CCCCC=NN(C)C=O	256665931	IHTUGUQGWPOOJG-UHFFFAOYSA-N	142.202	1.251	50	30	ADGC	
CC(C)(CBr)CC(=O)O	95829648	OGSIWPPNFLFXOH-UHFFFAOYSA-N	195.056	1.882	50	30	ADGC	in-vitro
COc1ccc(C(=O)Cl)cc1C#N	39057073	KZJFPTMKPSNCDL-UHFFFAOYSA-N	195.605	1.946	50	30	ADGC	
BrCCO[C@@H]1CCOC1	82453580	CGZLZBOTLVAFRY-ZCFIWIBFSA-N	195.056	1.187	50	30	ADGC	
COCCCC(=O)CCl	201514522	WTFZHKLNVYRRDT-UHFFFAOYSA-N	150.605	1.221	50	30	ADGC	
CC(=O)[C@@H](C)CSC#N	39069283	FZVUFHSECFXODA-YFKPBYRVSA-N	143.211	1.426	50	30	ADGC	
CC[C@@H](C)[C@@H](Cl)CO	39342946	LAEZQMVVQHICOO-RITPCOANSA-N	136.622	1.632	50	30	ADGC	
O=C(Cl)NCCCl	104628125	XMOBEBFGAJXFRO-UHFFFAOYSA-N	141.985	1.174	50	30	ADGC	
OCC1(CCl)CCC1	104730103	NKGCLLHUUJCSQF-UHFFFAOYSA-N	134.606	1.388	50	30	ADGC	
C[C@H]1C[C@H]2C[C@H]1[C@@](O)(C#N)C2	299803307	HRDCNRJPFDWLPA-MAUMQABQSA-N	151.209	1.307	50	30	ADGC	
Br[C@H]1CC12CCOCC2	725268732	GHOMJCXNDMWYNF-LURJTMIESA-N	191.068	1.950	50	30	ADGC	
ClCc1ccnnc1	39422947	UWGJOGPBJGQYLN-UHFFFAOYSA-N	128.562	1.215	50	30	ADGC	
N#Cc1ccc([C@H](Cl)C(N)=O)cc1	68593317	CKCMHUOIHSUTIT-QMMMGPOBSA-N	194.621	1.323	50	30	ADGC	in-vitro
C[C@H]1CCCN1CCBr	40989496	UTEBFAMIFILCTE-ZETCQYMHSA-N	192.100	1.866	50	30	ADGC	
F[C@H](CBr)[C@H]1CCOC1	258208733	XNXDHBSKQIUYQZ-NTSWFWBYSA-N	197.047	1.756	50	30	ADGC	
CCCC[S@@](=O)Cl	135689059	LTQJJIHJWKUKKQ-ZETCQYMHSA-N	140.635	1.689	50	30	ADGC	
C[C@@H]1CCCN1CCBr	40989493	UTEBFAMIFILCTE-SSDOTTSWSA-N	192.100	1.866	50	30	ADGC	
CC(F)(F)C(=O)Cl	107272824	YWEDWMFUNOBWOQ-UHFFFAOYSA-N	128.505	1.407	50	30	ADGC	
CO[C@@H]1C[C@H]1Br	238337097	BLBYSMUZLRWJHM-QWWZWVQMSA-N	151.003	1.169	50	30	ADGC	
CCC(=O)OCBr	34451045	YXASHNSJWVCWQQ-UHFFFAOYSA-N	167.002	1.292	50	30	ADGC	
CC(C)[C@@H](Cl)C#N	32155519	GMPPCOCINGLLFH-YFKPBYRVSA-N	117.579	1.773	50	30	ADGC	
ClCOCC1CC1	78749956	FNEOQFSJCPCUJX-UHFFFAOYSA-N	120.579	1.609	50	30	ADGC	in-vitro
BrCCc1cnc[nH]1	34111972	ZMZUVZJTRDWQTR-UHFFFAOYSA-N	175.029	1.347	50	30	ADGC	
CSCCCCN=C=O	217551783	FEFBZOLSXMBHIO-UHFFFAOYSA-N	145.227	1.465	50	30	ADGC	
NNC(=O)c1ccc(Cl)c(F)c1	58824947	BHINITWLUJWRTH-UHFFFAOYSA-N	188.589	1.083	50	30	ADGC	
CCCOC(=O)C(Cl)Cl	5835306	AHRFMMRLDGAHBM-UHFFFAOYSA-N	171.023	1.743	50	30	ADGC	
CC(C)N(C)C(=O)[C@@H](C)Cl	22163562	OTLVGRBNPPWUHT-ZCFIWIBFSA-N	163.648	1.481	50	30	ADGC	in-vitro
BrC[C@H]1C[C@@]12CCOC2	88161711	TVNMGTNGTKSCFB-RNFRBKRXSA-N	191.068	1.808	50	30	ADGC	
O=C(Cl)C1CCSCC1	12370681	RJRIIGFPFQOTNF-UHFFFAOYSA-N	164.657	1.895	50	30	ADGC	in-vitro
O=C(Cl)[C@@H](O)c1ccccc1	33986231	PUWQVDWJJCSTLK-ZETCQYMHSA-N	170.595	1.485	50	30	ADGC	
CC[C@@H](Br)C#N	39415781	CIBGXJVJPZCMFX-SCSAIBSYSA-N	148.003	1.683	50	30	ADGC	
C[C@H](Cl)C(=O)C[C@@H](C)F	39125532	AFUFEVYTJGAVSL-UHNVWZDZSA-N	152.596	1.931	50	30	ADGC	
O=C(Cl)C1[C@@H]2CC=CC[C@@H]12	100198437	OQOMEKUYJUMXGM-PHDIDXHHSA-N	156.612	1.964	50	30	ADGC	
C=C(CCl)CC#N	34360016	GDONRPJGPFTIBH-UHFFFAOYSA-N	115.563	1.695	50	30	ADGC	
N#C[C@H](O)CCc1ccccc1	100380137	CUJUQPVHWIDESZ-SNVBAGLBSA-N	161.204	1.504	50	30	ADGC	
O=C/C=C/Br	114955631	DYKZSUCEYQFDRC-OWOJBTEDSA-N	134.960	1.094	50	30	ADGC	
COC(=O)[C@H](Cl)CSC(C)=O	1604398	RSIHVSLHPYRNDL-RXMQYKEDSA-N	196.655	1.047	50	30	ADGC	
COC[C@@H](C)Cl	53199442	SIBFNWWZWOVJJH-SCSAIBSYSA-N	108.568	1.260	50	30	ADGC	
CO[C@H]1CCC[C@@H](C(=O)Cl)C1	4267830	JOZLFZQRVYHFFA-RQJHMYQMSA-N	176.643	1.957	50	30	ADGC	in-vitro
N#CCCN=C=S	5178764	NLXGQEJKDMXLBG-UHFFFAOYSA-N	112.157	1.003	50	30	ADGC	
O=C1C=CC[C@H]1Br	149956262	XCRIPBQNBNUFRP-SCSAIBSYSA-N	160.998	1.279	50	30	ADGC	
O=C(Cl)[C@@]12CC[C@@H](CC1=O)C2	39056362	TWSTYRGOHGVYHJ-YLWLKBPMSA-N	172.611	1.511	50	30	ADGC	
C=C(O[Si](C)(C)C)C(=O)OCC	195895676	ZOVCJWPFNSHMKT-UHFFFAOYSA-N	188.299	1.915	50	30	ADGC	
Cc1ccc(C#N)c(N=C=O)c1	238542235	YWTZHJBEKOVGAB-UHFFFAOYSA-N	158.160	1.834	50	30	ADGC	
CC1(C)OC(=O)[C@@H](Br)O1	196595937	DZKXKWQAIUPQIR-VKHMYHEASA-N	195.012	1.017	50	30	ADGC	
O=C=NCCC1CCC1	213545718	RYPHKZOVEXVLSZ-UHFFFAOYSA-N	125.171	1.512	50	30	ADGC	
CCOC(=O)N/N=C/c1cccs1	172000	HFHGACUFBKMSFX-RMKNXTFCSA-N	198.247	1.828	50	30	ADGC	
O=C(Cl)N1C[C@H]2C[C@@H]2C1	105726390	UGKOYSCMKVHANS-RFZPGFLSSA-N	145.589	1.297	50	30	ADGC	
C=CC[C@H](Br)CO	59710944	GWGPDEPSLVJSKP-YFKPBYRVSA-N	165.030	1.318	50	30	ADGC	
COc1cc(CBr)on1	96379233	IKWBIWKIWRWLFN-UHFFFAOYSA-N	192.012	1.578	50	30	ADGC	
CCC[C@@H](Cl)CO	113287233	BSPZHSJUMXYBOD-RXMQYKEDSA-N	122.595	1.386	50	30	ADGC	
Cc1cccc(C#N)c1N=C=O	199042449	RXIOWVDGENKOFX-UHFFFAOYSA-N	158.160	1.834	50	30	ADGC	
ClC[C@@H]1CCCOC1	14987962	WLUAIDDBBCAIDY-LURJTMIESA-N	134.606	1.652	50	30	ADGC	
C[C@H](Cl)c1nc(-c2nc[nH]n2)no1	20594203	OXXDLZHCKFTFQU-VKHMYHEASA-N	199.601	1.155	50	30	ADGC	in-vitro
C/C(=C\CCl)C(=O)O	38362834	ZDSZDMJETWINGZ-DUXPYHPUSA-N	134.562	1.256	50	30	ADGC	
CNc1nc(C)c(C(=O)Cl)s1	39056856	SHPBQBLMCFRAKQ-UHFFFAOYSA-N	190.655	1.872	50	30	ADGC	
CC(=O)C(=S)/C=C\C#N	39068919	KVQLYPNBLJIBED-IHWYPQMZSA-N	139.179	1.025	50	30	ADGC	
CN(CCCl)CC(F)(F)F	40991359	OIPBPIXBDBZGPY-UHFFFAOYSA-N	175.581	1.719	50	30	ADGC	
COc1cnccc1CCl	95642382	PANZDSXMPCOVLQ-UHFFFAOYSA-N	157.600	1.829	50	30	ADGC	
O=C1OC(=O)[C@]2(c3ccccc3)C[C@H]12	100494205	VRVFLPPXIRCEOE-KCJUWKMLSA-N	188.182	1.028	50	30	ADGC	
O=[S@](CCCl)C(F)(F)F	140160604	FNNLOFOFBJZNCE-VIFPVBQESA-N	180.578	1.494	50	30	ADGC	
N#CC(C#N)=C(N)Nc1ccccc1	128830	MBZJYPWYFPSSDF-UHFFFAOYSA-N	184.202	1.316	50	30	ADGC	
CC(=O)/C(C)=C(/C)C=O	39068171	JOIPXRIQHWMPFU-WAYWQWQTSA-N	126.155	1.111	50	30	ADGC	
COC(=O)[C@H](C)[C@@H](C)Br	148011474	DLRNLDASULNNIJ-RFZPGFLSSA-N	195.056	1.579	50	30	ADGC	
O=C(CCl)c1ccc2c(c1)OCO2	19942213	BXFOLSYNIOADPQ-UHFFFAOYSA-N	198.605	1.837	50	30	ADGC	
C=CCN(C)CCCl	49804430	NQVHCGAZGCUYDB-UHFFFAOYSA-N	133.622	1.343	50	30	ADGC	
Br[C@@H]1CCC[C@H]2O[C@H]12	101152048	VCXQSVOFNLPVQU-HSUXUTPPSA-N	177.041	1.701	50	30	ADGC	
ClC[C@@H]1CCCCCN1	104605129	VGKYYXUGBFQQMC-ZETCQYMHSA-N	147.649	1.757	50	30	ADGC	
O=C(Cl)c1csccc1=O	39056478	FZQLPYNVCOAXGE-UHFFFAOYSA-N	174.608	1.487	50	30	ADGC	
CC(=O)[C@H](C)SC#N	39068433	QJFRGLSACZTTIO-YFKPBYRVSA-N	129.184	1.178	50	30	ADGC	in-vitro
COC[C@H](CBr)OC	143178992	ZLALOAABONRSQH-YFKPBYRVSA-N	183.045	1.043	50	30	ADGC	
C=C[C@H]1C=CCS[S@@]1=O	33829815	ZPRURHACUXSVGY-IMTBSYHQSA-N	160.263	1.508	50	30	ADGC	
Cc1cc(C[C@H](C)Cl)[nH]n1	39134058	ZKJUZBKLUTVQOU-YFKPBYRVSA-N	158.632	1.888	50	30	ADGC	
ClCOC[C@@H]1CCCO1	78750379	XLFRYXYFCITFGX-LURJTMIESA-N	150.605	1.378	50	30	ADGC	
CC[C@H](C)C(=O)CCl	39233788	ARWXDFAVJKUFQP-YFKPBYRVSA-N	134.606	1.840	50	30	ADGC	in-vitro
C[C@@H](Br)C1OCCO1	32219521	ZMASOHJVZRWBCX-SCSAIBSYSA-N	181.029	1.143	50	30	ADGC	
N#Cc1ccc(C(=O)F)c(F)c1	39056273	XPUZBRNQOPRWQM-UHFFFAOYSA-N	167.114	1.807	50	30	ADGC	
CC(=O)C1=C(C#N)N=N[C@H]1C	39069607	CDRSHZUCVYZADO-BYPYZUCNSA-N	149.153	1.207	50	30	ADGC	
CN(C)/C=C1\C=CC(C=O)=C1	199490165	BTXPWQOMGRYMGB-SOFGYWHQSA-N	149.193	1.127	50	30	ADGC	
CC[C@H](Cl)c1ncn[nH]1	204472031	SIZNDCWYSGZBQM-BYPYZUCNSA-N	145.593	1.495	50	30	ADGC	
CC(=O)NC1=C(C=O)CCCCC1	39126322	IHEPPQJQIGNMFX-UHFFFAOYSA-N	181.235	1.540	50	30	ADGC	
CC(C)(CCCl)C(=O)O	71609357	YKFFACBRWIUUOD-UHFFFAOYSA-N	150.605	1.726	50	30	ADGC	
O/N=C1\CCCC[C@@H]1Cl	135976768	ODCQZCNSWWLGCQ-GZNKVARCSA-N	147.605	1.998	50	30	ADGC	
O=C1OC(=O)C2=C1CCCCCC2	145774425	TYHJNFNJPLZGIM-UHFFFAOYSA-N	180.203	1.721	50	30	ADGC	
Fc1cc(CCl)ccn1	39051316	OMHRYXJIMNXMSZ-UHFFFAOYSA-N	145.564	1.960	50	30	ADGC	in-vitro
C[C@@H]1C[C@H]2C[C@H]1[C@@](O)(C#N)C2	299803309	HRDCNRJPFDWLPA-XAVMHZPKSA-N	151.209	1.307	50	30	ADGC	
O=CC1=COc2ccccc2C1	34256996	CDTIRJYYEPOPNF-UHFFFAOYSA-N	160.172	1.704	50	30	ADGC	
C[C@]1(C(=O)Cl)CCCO1	39055939	NLKJOESQIOHMFJ-ZCFIWIBFSA-N	148.589	1.321	50	30	ADGC	
C[C@H]1CO[C@@](C)(CCl)O1	104712809	YSCQRQXPDXMINY-NTSWFWBYSA-N	150.605	1.377	50	30	ADGC	
CO[C@H](Cl)CCl	5998132	LXEOQHPAKLYXTH-VKHMYHEASA-N	128.986	1.437	50	30	ADGC	
CN(C)c1nc(CCl)ns1	75772048	UUINIJPFNXSOQK-UHFFFAOYSA-N	177.660	1.343	50	30	ADGC	in-vitro
O=[N+]([O-])[C@@]1(F)C=C(F)C=C[C@H]1Cl	21299114	BOMLJTAAERPHOJ-RITPCOANSA-N	195.552	1.960	50	30	ADGC	
N#CSCBr	34589093	NKZBPOBHIJVVDH-UHFFFAOYSA-N	152.016	1.553	50	30	ADGC	
CC(C)[C@@H](O)CCCl	104712310	LHHHCCUAOCYBKV-LURJTMIESA-N	136.622	1.632	50	30	ADGC	
COc1ccc2[nH]c(CCl)nc2n1	83852346	YJFNTWVMDQOORI-UHFFFAOYSA-N	197.625	1.705	50	30	ADGC	in-vitro
CC1(C)COC(CCl)=N1	38415789	LVPIFYYRWKTPQY-UHFFFAOYSA-N	147.605	1.433	50	30	ADGC	
NNC(=O)[C@@H]1CCCc2ccccc21	37390002	UFSXAIDNMJEWFX-SNVBAGLBSA-N	190.246	1.096	50	30	ADGC	
O=C(CCl)n1cccc1	39054719	XFMJDOISCWTAPC-UHFFFAOYSA-N	143.573	1.367	50	30	ADGC	
O=C(Cl)[C@@H]1CCCOC1	54768872	AVCXUTJRMZPYBY-RXMQYKEDSA-N	148.589	1.178	50	30	ADGC	
COC(=O)NN=C(C)c1ccncc1	254347272	HBCSZABNIIXLDR-UHFFFAOYSA-N	193.206	1.162	50	30	ADGC	
CCCCC[C@H](O)C#N	100174859	JEWPACUDYNBTSN-ZETCQYMHSA-N	127.187	1.451	50	30	ADGC	
CC1[C@H](N=C=O)CCC[C@H]1N=C=O	100245902	OHTRJOZKRSVAOX-RKDXNWHRSA-N	180.207	1.215	50	30	ADGC	
FC(F)(F)COCCl	34743318	ROOXDWUGQRXXDK-UHFFFAOYSA-N	148.511	1.762	50	30	ADGC	in-vitro
FC(F)Cn1ccnc1CCl	38434302	SMONWANQVCQWSX-UHFFFAOYSA-N	180.585	1.887	50	30	ADGC	
C=CC[C@H]1CCC[C@]1(O)C#N	100274357	BHPWVDVWWSFLGO-IUCAKERBSA-N	151.209	1.617	50	30	ADGC	
COCc1nccc(CCl)n1	54793207	WDILGAKFPHXGFU-UHFFFAOYSA-N	172.615	1.362	50	30	ADGC	
COc1cc(F)c(N=C=O)cc1F	75772002	ZTPBHFHZVDVDSK-UHFFFAOYSA-N	185.129	1.941	50	30	ADGC	
COC(C)(CCl)CCl	97972441	DPDYIYWMSPFVQQ-UHFFFAOYSA-N	157.040	1.869	50	30	ADGC	
O=[S@@](Cl)C1CC1	118625918	HTIPMEXSSYTVJJ-LURJTMIESA-N	124.592	1.051	50	30	ADGC	
O=C=N[C@@H]1CCCS1	146833480	VQBYZWFTXHKFTN-YFKPBYRVSA-N	129.184	1.175	50	30	ADGC	
C=CC(=O)OC[C@H](Cl)CCl	5157565	VNBVMEJAPNHJSI-RXMQYKEDSA-N	183.034	1.562	50	30	ADGC	
CN(CCl)C(=O)Cl	39278469	FSBLIZXPIXHWML-UHFFFAOYSA-N	141.985	1.473	50	30	ADGC	in-vitro
CC1(C)OC[C@@H](COC(=O)Cl)O1	59231775	XMNGTCORCFOQSP-RXMQYKEDSA-N	194.614	1.513	50	30	ADGC	
FC1(F)CC(N=C=S)C1	606246208	FSIDNHAMFGRURQ-UHFFFAOYSA-N	149.165	1.887	50	30	ADGC	
CC[C@H](O)CCBr	34469170	MDEOBMBGEXCNTP-YFKPBYRVSA-N	167.046	1.542	50	30	ADGC	
CC1=CC(=CC#N)C=C(C)N1	39051032	MPJBTQYKCFRMLV-UHFFFAOYSA-N	146.193	1.847	50	30	ADGC	
C[Si](C)(C)Oc1ncccn1	196113966	IBCXGJWGOAAAHT-UHFFFAOYSA-N	168.272	1.690	50	30	ADGC	
COC(F)(F)[C@@H](F)Br	1481917	YOQYDUAUSFAUER-UWTATZPHSA-N	192.962	1.916	50	30	ADGC	in-man
COC(=O)N(N)c1ccccc1C	39139367	OHHHKGUYGIQNLT-UHFFFAOYSA-N	180.207	1.442	50	30	ADGC	
C[C@]1(CN)C[C@@H]1Br	238477918	QCKWPWCTVIBNIY-CRCLSJGQSA-N	164.046	1.119	50	30	ADGC	
N#CC1(CCl)CCOCC1	306305196	JANYHOUCPCKUGQ-UHFFFAOYSA-N	159.616	1.546	50	30	ADGC	
CCOOC(C)(C)C	100107831	GOKFBDXJQGPRML-UHFFFAOYSA-N	118.176	1.753	50	30	ADGC	
Cc1ccccc1CO[O]	100288692	YUFWMIOYLBMXFS-UHFFFAOYSA-N	137.158	1.857	50	30	ADGC	
BrC[C@@H]1C=CC1	237990010	MUQZNJRWIDZPDM-RXMQYKEDSA-N	147.015	1.957	50	30	ADGC	
CC(=O)CCI	34593201	XRELGXKQIBXIFE-UHFFFAOYSA-N	198.003	1.401	50	30	ADGC	
C=CCNCCCCl	58862821	CKDSHTCVVQWHSF-UHFFFAOYSA-N	133.622	1.391	50	30	ADGC	
C[C@@H](Cl)c1nnco1	50284423	STKUERQTBAHHRO-GSVOUGTGSA-N	132.550	1.369	50	30	ADGC	
Cc1cnc(C)c(CCl)n1	90500473	RMRPCTNJCCPDCD-UHFFFAOYSA-N	156.616	1.832	50	30	ADGC	
CO[C@@]1(CBr)CCOC1	307385472	IJJCVAQOXKZKAR-ZCFIWIBFSA-N	195.056	1.187	50	30	ADGC	
C[C@H](Br)CCCO	38338467	DIZWQJCOIVIQBG-YFKPBYRVSA-N	167.046	1.542	50	30	ADGC	
S=C=NC[C@H]1CCOC1	61146826	NIVJYFSASBKLNY-ZCFIWIBFSA-N	143.211	1.126	50	30	ADGC	in-vitro
Cc1ccc([C@H](C)N=C=O)o1	62822163	QSNHNVBWHPEEKK-ZETCQYMHSA-N	151.165	1.985	50	30	ADGC	in-vitro
Cc1conc1CBr	118479042	WOTBMPWBOIUIKC-UHFFFAOYSA-N	176.013	1.878	50	30	ADGC	
CN(CCC#N)C(=O)Cl	200975009	QTWAPOBZRHVFAY-UHFFFAOYSA-N	146.577	1.191	50	30	ADGC	
CN(C)C(CCl)CCl	3634412	VFBPLWLYRSYUSR-UHFFFAOYSA-N	156.056	1.394	50	30	ADGC	
Cn1nc2ccccc2c1C(=O)Cl	5177688	MVHHZBVZNGCEOO-UHFFFAOYSA-N	194.621	1.952	50	30	ADGC	
Cc1nnc(CCBr)o1	62153216	BKCFQLQZAXYLLQ-UHFFFAOYSA-N	191.028	1.315	50	30	ADGC	
CCn1cnc(CCl)n1	104686963	IHBVTDDVHKFOHJ-UHFFFAOYSA-N	145.593	1.037	50	30	ADGC	
C[C@]12CCC[C@H]1[C@@H](Cl)C2=O	238518619	UVONOUWBTAUXPO-BBVRLYRLSA-N	158.628	1.983	50	30	ADGC	
C[C@@H]1O[C@H]1CBr	39277755	PNKIAICRRFHSBQ-IMJSIDKUSA-N	151.003	1.169	50	30	ADGC	
CCC(=O)OOC(C)(C)C	1756737	BBXFLQCFPROIMX-UHFFFAOYSA-N	146.186	1.670	50	30	ADGC	
N#CCC(=O)NN=Cc1ccccc1	8642145	INMVSZQSMSATPX-UHFFFAOYSA-N	187.202	1.050	50	30	ADGC	
Oc1cccnc1CCl	39049957	UMQUDSSPLPWFMX-UHFFFAOYSA-N	143.573	1.526	50	30	ADGC	in-vitro
C[C@@H]1CCCC[C@H]1N=C=O	39592499	VDVDIOHQFKXVFQ-HTQZYQBOSA-N	139.198	1.901	50	30	ADGC	
CC(C)(C)OC(=O)N1CC(Cl)C1	199726074	YMQQLTWJRJXVEE-UHFFFAOYSA-N	191.658	1.845	50	30	ADGC	
Cc1coc(CCl)n1	95761778	NZAXBBLHJYXFEZ-UHFFFAOYSA-N	131.562	1.722	50	30	ADGC	
CC(=O)NCCCCCCl	104713173	ONKGMPAWHROVBK-UHFFFAOYSA-N	163.648	1.532	50	30	ADGC	
CO[C@@H](Cl)[C@@H](Cl)OC	138513520	TVRLVRWGJUVLQS-ZXZARUISSA-N	159.012	1.409	50	30	ADGC	
COC(=O)c1ccc(CN=C=O)cc1	144151967	LZZCJAKMNAEAGY-UHFFFAOYSA-N	191.186	1.309	50	30	ADGC	
O=C1CC(CCBr)C1	237975940	SORSBVQKLCJNDA-UHFFFAOYSA-N	177.041	1.751	50	30	ADGC	
BrC[C@@H]1C[C@]12CCOC2	88161712	TVNMGTNGTKSCFB-BQBZGAKWSA-N	191.068	1.808	50	30	ADGC	
O=C1Cc2ccc(F)cc2C(=O)O1	100010774	ZRMDWNBFHZRVAG-UHFFFAOYSA-N	180.134	1.065	50	30	ADGC	
N#C/C=C/CBr	38282068	DNQQWHOUZPHKMD-OWOJBTEDSA-N	145.987	1.461	50	30	ADGC	in-vitro
ClCc1cnns1	73657649	ZDUBMXQVUKCNNA-UHFFFAOYSA-N	134.591	1.277	50	30	ADGC	
COC(=O)C[C@H](Cl)CF	2034852	XVXXASQNBGWQHF-BYPYZUCNSA-N	154.568	1.126	50	30	ADGC	
CO[C@H]1C=CC[C@H]1Br	39090009	YDGCHIHYOQSJBH-RITPCOANSA-N	177.041	1.725	50	30	ADGC	
COC(=O)CCCC(=O)[C@H](C)Cl	238325129	VITSKVBTNATBGD-LURJTMIESA-N	192.642	1.526	50	30	ADGC	
C[C@H](Cl)[C@H](Cl)C=O	1691497	KYBNZGCYBVOCEO-IUYQGCFVSA-N	140.997	1.420	50	30	ADGC	
CC(=O)O[C@@H](Cl)CCl	2023964	QRNBACUXNLBSDC-SCSAIBSYSA-N	156.996	1.353	50	30	ADGC	in-vitro
CC(C)SCC(=O)CCl	2265385182	MQMWQOCOCKLFAN-UHFFFAOYSA-N	166.673	1.936	50	30	ADGC	
BrCn1cccn1	39190369	ZOFQCCDCAKRWSX-UHFFFAOYSA-N	161.002	1.236	50	30	ADGC	
COC[C@@]1(C)C[C@@H]1Br	238340660	UHIUMKWQIFASMH-NTSWFWBYSA-N	179.057	1.806	50	30	ADGC	
Cc1cc(NC=C(C#N)C#N)no1	90929	XVIKRWYOQFCZGH-UHFFFAOYSA-N	174.163	1.326	50	30	ADGC	
C[C@H](Cl)C(=O)[C@H]1CCC=CC1=O	39055098	WXVWCAJUSWMMQE-BQBZGAKWSA-N	186.638	1.718	50	30	ADGC	
Br[C@H]1CCCCO1	39386602	WSVBQUZNVUWORE-RXMQYKEDSA-N	165.030	1.908	50	30	ADGC	
C[C@H](Cl)c1csnn1	299805669	ZWXDOEAAEUGFEN-VKHMYHEASA-N	148.618	1.838	50	30	ADGC	
Br[C@H]1[C@H]2OCCC[C@H]21	238856578	WILLARUMZBKVRW-JKUQZMGJSA-N	177.041	1.559	50	30	ADGC	
C[C@@H](Cl)C(=O)[C@H]1CCC=CC1=O	39055099	WXVWCAJUSWMMQE-RQJHMYQMSA-N	186.638	1.718	50	30	ADGC	
CCOCC[C@@H](Cl)C(C)=O	39127916	BABJFQGLEJDIKS-SSDOTTSWSA-N	164.632	1.609	50	30	ADGC	
CCOC(=O)c1conc1CCl	238277142	RIKJYEXUKWIYRW-UHFFFAOYSA-N	189.598	1.590	50	30	ADGC	
CC(=O)O[C@@H]1CC[C@H]1Br	59693084	NJWFQAGXUFLHDF-PHDIDXHHSA-N	193.040	1.475	50	30	ADGC	
CCn1cncc1CBr	83822421	WAFRPGOUBPRCIW-UHFFFAOYSA-N	189.056	1.798	50	30	ADGC	
CCOCc1nnc(CCl)s1	84096311	IWLOPVCHYSEQMW-UHFFFAOYSA-N	192.671	1.813	50	30	ADGC	
ClC1=NO[C@H](CBr)C1	238510712	MDJFWZMNJLJNRR-VKHMYHEASA-N	198.447	1.723	50	30	ADGC	
Cn1nnc(CCl)c1C(F)F	725343527	MVSQRFWKAHQWQS-UHFFFAOYSA-N	181.573	1.492	50	30	ADGC	
CCCC(=O)OC(=O)CC	100058241	CVEMRMYVCNTJJV-UHFFFAOYSA-N	144.170	1.266	50	30	ADGC	
BrC[C@H]1C[C@H]2CC[C@H]1O2	238855946	UHZMGDQVYYPBQQ-FSDSQADBSA-N	191.068	1.949	50	30	ADGC	
O=C=C(C(=O)Cl)c1ccccc1	34449509	ZEHCNHDIBSTCCY-UHFFFAOYSA-N	180.590	1.667	50	30	ADGC	
C[C@H]1OCC[C@@H]1CBr	86758882	ULWOPSMGNPPTBX-PHDIDXHHSA-N	179.057	1.806	50	30	ADGC	in-vitro
C=C(C#N)C1CCC1	148635865	GWBYDZFMNPDDMW-UHFFFAOYSA-N	107.156	1.866	50	30	ADGC	
CCCN(C)C(=O)CCl	37098217	FYXRUOXLGZEYJV-UHFFFAOYSA-N	149.621	1.094	50	30	ADGC	
Cn1nnc2cc(CCl)ccc21	75772120	LKXUAZIEBAPBNR-UHFFFAOYSA-N	181.626	1.707	50	30	ADGC	in-vitro
CC(=O)C1=C(O)CCC(C#N)=C1	100221324	VHCMINBGKYEHSU-UHFFFAOYSA-N	163.176	1.631	50	30	ADGC	
O=[S@](Cl)CC(F)(F)F	306378475	NTOLLMQTDUCPKD-QMMMGPOBSA-N	166.551	1.451	50	30	ADGC	
COC(=O)c1ccn(CCCl)c1	37593627	YYRVQKUBYXEILS-UHFFFAOYSA-N	187.626	1.514	50	30	ADGC	
CCSCCC(=O)CCl	83186914	MHNRTQQJWKLEOC-UHFFFAOYSA-N	166.673	1.938	50	30	ADGC	
N#CC1(CCl)CCC1	104686159	QWXSUWMUUSDCIV-UHFFFAOYSA-N	129.590	1.919	50	30	ADGC	
CCCC(=O)[C@@H](Cl)C(=O)OCC	117530827	ZGDSIUBFOLFVBP-SSDOTTSWSA-N	192.642	1.526	50	30	ADGC	
CC1(C)CC(=O)C[C@H](C(=O)Cl)O1	39056867	HAOKCIJNNODQPF-ZCFIWIBFSA-N	190.626	1.279	50	30	ADGC	
FC(F)c1nc(CCl)no1	236131166	IMLAFXQBEGGVOP-UHFFFAOYSA-N	168.530	1.746	50	30	ADGC	
C[C@]1(C2CC2)CC(=O)[C@@H]1Cl	39125404	VLNBOKYABZLPAT-JGVFFNPUSA-N	158.628	1.983	50	30	ADGC	
CN(C)P(=O)(F)F	138962818	LGZGDYYFARYYNC-UHFFFAOYSA-N	129.046	1.595	50	30	ADGC	
C[C@H](Cl)c1nnc(N(C)C)o1	235493693	RPTOSJIRAVHACO-BYPYZUCNSA-N	175.619	1.435	50	30	ADGC	
CO/C=C(\Br)C=O	33650149	IKAXVYVALZRMES-ARJAWSKDSA-N	164.986	1.068	50	30	ADGC	
C[C@]12CCC[C@@H]1[C@@H](Cl)C2=O	238514906	UVONOUWBTAUXPO-JKMUOGBPSA-N	158.628	1.983	50	30	ADGC	
CCC[C@@H](O)CBr	39372188	AMCWGHNIYLEOOO-RXMQYKEDSA-N	167.046	1.542	50	30	ADGC	
CO[C@H](C)CCl	6036502	YSZGJULIUWQDME-SCSAIBSYSA-N	108.568	1.260	50	30	ADGC	
COc1cc(OC)cc([C@@H](O)C#N)c1	59261466	ZWGBEAKJEFVQPW-JTQLQIEISA-N	193.202	1.261	50	30	ADGC	in-vitro
O=C=N[C@H]1CC1(Cl)Cl	32137272	NPEUVAMEAPSJEM-VKHMYHEASA-N	151.980	1.268	50	30	ADGC	
COC(=O)[C@@H](C)CCBr	36404767	PVFTYUXVJKUISC-YFKPBYRVSA-N	195.056	1.581	50	30	ADGC	in-vitro
CC(=O)N/C(=C/C=O)c1ccccc1	39125948	OUGFSZHNRYPDOG-YRNVUSSQSA-N	189.214	1.363	50	30	ADGC	
O=C=NCC1CCC(CN=C=O)CC1	1850732	ROHUXHMNZLHBSF-UHFFFAOYSA-N	194.234	1.464	50	30	ADGC	
O=NN1C[C@H](Cl)[C@H](Cl)C1	5157067	NXUCOCMJAHWYNO-ZXZARUISSA-N	169.011	1.198	50	30	ADGC	
CC(C)[C@H](Cl)C#N	32155523	GMPPCOCINGLLFH-RXMQYKEDSA-N	117.579	1.773	50	30	ADGC	
O=[P@]1(Cl)NCCCO1	137601897	KTJQXXIVWRXBCC-QMMMGPOBSA-N	155.521	1.343	50	30	ADGC	
CN(Cl)C(Cl)Cl	138346026	MZLAYQZOWSTSDQ-UHFFFAOYSA-N	148.420	1.833	50	30	ADGC	
Cn1nccc1CCBr	69021982	XJWYFEQOMPSWAG-UHFFFAOYSA-N	189.056	1.358	50	30	ADGC	in-vitro
C[C@@H](Cl)[C@H](O)CCl	104732653	RCWHZEBSWOBIDT-QWWZWVQMSA-N	143.013	1.213	50	30	ADGC	
C#C[C@H]1OCC[C@H]1Cl	39048983	RGFCOYSMOSCVGR-PHDIDXHHSA-N	130.574	1.016	50	30	ADGC	
O=C(Cl)CCF	200372024	JKTJPZITKZLMID-UHFFFAOYSA-N	110.515	1.111	50	30	ADGC	in-vitro
C/C=C/C(=O)Br	2522834	ZILJGEDLVRILOP-NSCUHMNNSA-N	148.987	1.484	50	30	ADGC	
C=C(CBr)OC	36436793	MALRJHQIKRJCMN-UHFFFAOYSA-N	151.003	1.541	50	30	ADGC	
CC[C@@H](Br)[N+](=O)[O-]	1758984	CGLRMJMKUHEFQB-VKHMYHEASA-N	167.990	1.394	50	30	ADGC	
CSCCCC(=O)Cl	34135832	QXRMVDLKSHMLTB-UHFFFAOYSA-N	152.646	1.895	50	30	ADGC	
C=CCN1CCC[Si]1(OC)OC	200932291	XPKPJRXSFXXBPA-UHFFFAOYSA-N	187.315	1.110	50	30	ADGC	
CCN(/C=C/C=O)CC	33844757	CDNUNBYFDWXUDK-AATRIKPKSA-N	127.187	1.041	50	30	ADGC	
C[C@@]1(C(=O)O)C[C@H]1Cl	33608854	UDAHHJRBNYAHSW-NQXXGFSBSA-N	134.562	1.088	50	30	ADGC	
C[C@@H]1[C@@H](C(=O)Cl)C1(F)F	39056012	KRAJVHNJWYGQPH-GBXIJSLDSA-N	154.543	1.653	50	30	ADGC	
O=CC1=C[C@@H]2C[C@H]1[C@@H]1C=CC[C@@H]12	45793339	OQYUDOSILDGMML-QCNRFFRDSA-N	160.216	1.954	50	30	ADGC	
CCO[C@H]1C[C@H](Br)C1	100557298	YVGAMOVMFISILV-OLQVQODUSA-N	179.057	1.949	50	30	ADGC	
CC[C@@H](C)C(=O)OCCl	104719849	MGAJDLGBTVHGNZ-RXMQYKEDSA-N	150.605	1.772	50	30	ADGC	
O=C=Nc1cocc1C(=O)Cl	39056386	UQUBWXLTISIEOG-UHFFFAOYSA-N	171.539	1.626	50	30	ADGC	
O=[S@@](Cl)CC(F)(F)F	306378473	NTOLLMQTDUCPKD-MRVPVSSYSA-N	166.551	1.451	50	30	ADGC	
COC(=O)[C@@H]1CCC[C@H](N=C=O)C1	95883639	WLMBUNJMERBCDA-SFYZADRCSA-N	183.207	1.054	50	30	ADGC	
C[C@](O)(CBr)CN=[N+]=[N-]	238441871	CHCISTABLMKRNC-BYPYZUCNSA-N	194.032	1.443	50	30	ADGC	
CC(C)=C1/C(=C\C#N)C=C[C@@H]1O	100265983	FEVIWRWYYIQTHA-RDOCRHDPSA-N	161.204	1.703	50	30	ADGC	
CC(C)C(=O)OCOC(=O)Cl	117198737	JOWSLMCIDSDGEG-UHFFFAOYSA-N	180.587	1.519	50	30	ADGC	
CO[C@H]1CC[C@@H](Br)C1	143645975	MBBUVUBRFAYZRA-RITPCOANSA-N	179.057	1.949	50	30	ADGC	in-vitro
COCc1noc([C@@H](C)Cl)n1	49671969	OOAXLXAOLGBDMM-SCSAIBSYSA-N	176.603	1.516	50	30	ADGC	in-vitro
O=C1C[C@H](C2CCCCC2)C(=O)O1	114424521	GXCZPOCMZIYNRC-MRVPVSSYSA-N	182.219	1.656	50	30	ADGC	
ClCc1csnn1	34284512	VZFVKQUUOJAIOH-UHFFFAOYSA-N	134.591	1.277	50	30	ADGC	in-vitro
CC[C@@H](Cl)c1ncn[nH]1	204472044	SIZNDCWYSGZBQM-SCSAIBSYSA-N	145.593	1.495	50	30	ADGC	
COCc1noc([C@H](C)Cl)n1	49671968	OOAXLXAOLGBDMM-BYPYZUCNSA-N	176.603	1.516	50	30	ADGC	in-vitro
COCCOc1ccc(N=C=O)cc1	71506250	LWLSUHMUZPAKHP-UHFFFAOYSA-N	193.202	1.679	50	30	ADGC	
NNC(=O)c1ccc2cccccc1-2	39124173	SPAJMVRVTLHNPU-UHFFFAOYSA-N	186.214	1.395	50	30	ADGC	
ClCOC1CCOCC1	86491174	OQJBRNRBBAFWET-UHFFFAOYSA-N	150.605	1.378	50	30	ADGC	in-vitro
CC(C)(CN)CBr	126130611	IMDOFJMATWJHOX-UHFFFAOYSA-N	166.062	1.366	50	30	ADGC	
N#CC(C#N)=CC(=O)C(F)(F)F	39128429	HABPBCIEPPUAMC-UHFFFAOYSA-N	174.081	1.091	50	30	ADGC	
CO[C@H](C)CCBr	39424668	WZWJYFKJSMJHDO-RXMQYKEDSA-N	167.046	1.806	50	30	ADGC	
N#CSCC(=O)OC1CCCC1	39111992	NCCFJWBTMMQUEN-UHFFFAOYSA-N	185.248	1.686	50	30	ADGC	
COC[C@@H](C)CBr	83155439	HUMUEIKGCRJPBP-YFKPBYRVSA-N	167.046	1.664	50	30	ADGC	
CC(=O)C(C)(C)C(=O)CCl	96341590	OAUKEJLMPJUBCN-UHFFFAOYSA-N	162.616	1.410	50	30	ADGC	
O=C=NC(Cl)Cl	140247488	IHYCPZZPMNGWLF-UHFFFAOYSA-N	125.942	1.083	50	30	ADGC	
O=C(O)[C@]1(CCCl)CCOC1	306693437	TWPAXYNFVDWGSO-SSDOTTSWSA-N	178.615	1.107	50	30	ADGC	
O=C=NC1CC2(CCC2)C1	575579219	PVRRZOBNVIUBQZ-UHFFFAOYSA-N	137.182	1.655	50	30	ADGC	
O=c1[nH]c(CCl)nc2c1CCCC2	38584898	YOEVSDYLLYABRV-UHFFFAOYSA-N	198.653	1.388	50	30	ADGC	
Cc1cnc(CBr)o1	85391139	ZPMZAPAEAITURL-UHFFFAOYSA-N	176.013	1.878	50	30	ADGC	
CSc1ncc(CCl)[nH]1	95642127	ZJAVWXMOOWIYEU-UHFFFAOYSA-N	162.645	1.870	50	30	ADGC	
CCOC(=O)[C@@H](Cl)SC	117552363	PYRXAKHVTIHCFE-BYPYZUCNSA-N	168.645	1.477	50	30	ADGC	
CC1=CCN(C(=O)[C@H](C)Cl)CC1	39055120	DPAUZDMKVYXFLY-QMMMGPOBSA-N	187.670	1.792	50	30	ADGC	
CC[C@H](C)C(=O)CBr	39233786	PNYNRQLIDYPZBP-YFKPBYRVSA-N	179.057	1.997	50	30	ADGC	
CC(=O)[C@H](C)CSC#N	39069284	FZVUFHSECFXODA-RXMQYKEDSA-N	143.211	1.426	50	30	ADGC	
O=C([C@@H](F)Cl)C(F)(F)F	39125797	WOZVJXPRDKSTSX-UWTATZPHSA-N	164.485	1.652	50	30	ADGC	
[CH2]CC[Si](OC)(OC)OC	201108188	QLNOVKKVHFRGMA-UHFFFAOYSA-N	163.269	1.089	50	30	ADGC	
BrCC1[C@@H]2COC[C@@H]12	307071122	FZYAMPNKYDQDLQ-WDSKDSINSA-N	177.041	1.274	50	30	ADGC	
COc1nsc(OC)c1CCl	757080997	ZESZKRJZEVGSFR-UHFFFAOYSA-N	193.655	1.899	50	30	ADGC	
CCc1nonc1CBr	306668920	WQAOBRQJQLIIIR-UHFFFAOYSA-N	191.028	1.527	50	30	ADGC	
O=C(O)C1(CCCl)CCC1	307538759	SKJSTZNXLDPACL-UHFFFAOYSA-N	162.616	1.870	50	30	ADGC	
N[C@@H]1CCCC[C@@H]1Cl	1698024	RTZWBJIYBWNJMR-NTSWFWBYSA-N	133.622	1.495	50	30	ADGC	
CC1=C(C(=O)Cl)OCCO1	39056191	YRCPZOUUMMXJBR-UHFFFAOYSA-N	162.572	1.030	50	30	ADGC	
CO[C@@H]1CC[C@@H](Br)C1	143645749	MBBUVUBRFAYZRA-PHDIDXHHSA-N	179.057	1.949	50	30	ADGC	in-vitro
C=C(C(=O)Cl)C(C)C	39267910	LLIIFMUNEXVLGA-UHFFFAOYSA-N	132.590	1.964	50	30	ADGC	
CC(C)(C)n1nnnc1CCl	54743946	KJLGFPOMWIGSAA-UHFFFAOYSA-N	174.635	1.167	50	30	ADGC	in-vitro
C=C(C#N)C(=O)OCCC	2575134	ZTYMNUBYYQNBFP-UHFFFAOYSA-N	139.154	1.019	50	30	ADGC	
CCOCC[C@H](Cl)C(C)=O	39127914	BABJFQGLEJDIKS-ZETCQYMHSA-N	164.632	1.609	50	30	ADGC	
CO[C@@H](CBr)C1CC1	150239953	INUCUAQICVRCSY-LURJTMIESA-N	179.057	1.806	50	30	ADGC	
CCOC(=O)NN=C1CCCC1	172163	OUTYJUXZWCUOOA-UHFFFAOYSA-N	170.212	1.663	50	30	ADGC	
O[C@@H](CCl)CCCCl	100466637	MRPDYJBRFDKZCP-RXMQYKEDSA-N	157.040	1.605	50	30	ADGC	
C[C@]1(c2ccsc2)CC(=O)OC1=O	88256357	IWIVBDULZYFZNO-SECBINFHSA-N	196.227	1.479	50	30	ADGC	
C#CC(C)(C)C(=O)Cl	96034623	GIRWNFBPTYBWLY-UHFFFAOYSA-N	130.574	1.411	50	30	ADGC	in-vitro
Br[C@@H]1CCC[C@H]2O[C@@H]12	5134557	VCXQSVOFNLPVQU-PBXRRBTRSA-N	177.041	1.701	50	30	ADGC	
CC[C@H](Br)C(C)=O	34075700	VKJQRFXZZVMMGA-YFKPBYRVSA-N	165.030	1.749	50	30	ADGC	in-vitro
C[C@@H](Br)[C@@H]1CO1	38888590	YXGBQJQAKULVEL-DMTCNVIQSA-N	151.003	1.169	50	30	ADGC	
CC[C@H](C)C(=O)OCCl	104719854	MGAJDLGBTVHGNZ-YFKPBYRVSA-N	150.605	1.772	50	30	ADGC	
Cc1nc(C(=O)O)c(CCl)[nH]1	39132945	JMOQEULWWQRBRC-UHFFFAOYSA-N	174.587	1.155	50	30	ADGC	
C[C@H]1OCC[C@H]1CBr	86758878	ULWOPSMGNPPTBX-RITPCOANSA-N	179.057	1.806	50	30	ADGC	in-vitro
C[C@H]1C=C[C@@H](C)[C@H]2C(=O)OC(=O)[C@H]12	100140725	UKVSOXGGGOPLAE-ULAWRXDQSA-N	180.203	1.144	50	30	ADGC	
CN(CCCl)C(=O)Cl	104716404	IIQVQCNTYAISRM-UHFFFAOYSA-N	156.012	1.516	50	30	ADGC	
O=C(OO)c1ccccc1[N+](=O)[O-]	111391293	LOEMDEDKAHXRTN-UHFFFAOYSA-N	183.119	1.225	50	30	ADGC	
O=C1C=C[C@H](Br)C1	38251096	JJVDZGGOHGKRER-BYPYZUCNSA-N	160.998	1.279	50	30	ADGC	
CC1(C)CC(=O)C[C@@H](C(=O)Cl)O1	39056868	HAOKCIJNNODQPF-LURJTMIESA-N	190.626	1.279	50	30	ADGC	
C=CC[C@H](Cl)C(=O)O	60184034	MRNJHZMMKIFBAV-BYPYZUCNSA-N	134.562	1.255	50	30	ADGC	
COC1CCN(C(=O)Cl)CC1	86889777	LQCUGMDPGZFLHQ-UHFFFAOYSA-N	177.631	1.456	50	30	ADGC	
ClCc1ccc2c(n1)OCCO2	238530650	HATOORFLMFVIES-UHFFFAOYSA-N	185.610	1.592	50	30	ADGC	
CC(C)S(=O)(=O)CCCCl	32007803	YDZXLBAMTMNQMM-UHFFFAOYSA-N	184.688	1.439	50	30	ADGC	
O=C(Cl)C(=O)c1ccc(F)cc1	38283303	TWYJUNJPVOPIIA-UHFFFAOYSA-N	186.569	1.774	50	30	ADGC	
N[C@@H]1CCC[C@H](Cl)C1	49588191	YZWGGFBANWSDLC-NTSWFWBYSA-N	133.622	1.495	50	30	ADGC	
O=C(Cl)Cn1cnc2ccccc21	256005933	VBIVJHWBEGFMPZ-UHFFFAOYSA-N	194.621	1.802	50	30	ADGC	
CC(=O)[C@@H]1[C@@H](Cl)C1(C)C	39069782	OOYWIHGGJUKKJR-PHDIDXHHSA-N	146.617	1.839	50	30	ADGC	
C[C@@H]1CCN1C(=O)Cl	606242406	BDZSOZGNXGZREG-SCSAIBSYSA-N	133.578	1.439	50	30	ADGC	
ClCC#CCO[C@@H]1CCCCO1	32229677	ISIPNGZFZUMSKA-SECBINFHSA-N	188.654	1.772	50	30	ADGC	
N#C/C=C/CCl	34328655	TVATXSHJPUWJHZ-OWOJBTEDSA-N	101.536	1.305	50	30	ADGC	
C[C@@]1(C2CC2)CC(=O)[C@H]1Cl	39125407	VLNBOKYABZLPAT-SFYZADRCSA-N	158.628	1.983	50	30	ADGC	
O=C(NCCCl)N1CCCC1	82551594	CSBOTCGEMSFANF-UHFFFAOYSA-N	176.647	1.031	50	30	ADGC	
C=CCC(=C)C(=O)Cl	115110753	UVRHPNIGNDZDBO-UHFFFAOYSA-N	130.574	1.884	50	30	ADGC	
COc1cc(CCl)nc(OC)n1	223580716	LVRFJERFDMIEMS-UHFFFAOYSA-N	188.614	1.233	50	30	ADGC	
ClCc1ncnn1C1CC1	686519763	RHWPFXPEIFTWJY-UHFFFAOYSA-N	157.604	1.352	50	30	ADGC	
CCOC(=O)N(CCCl)N=O	4705957	NFCXERZWGPTYNW-UHFFFAOYSA-N	180.591	1.365	50	30	ADGC	
O=C=Nc1ccco1	19502690	WGJPTPNEGGRIRA-UHFFFAOYSA-N	109.084	1.247	50	30	ADGC	in-vitro
C=C[C@@H]1C=CCS[S@@]1=O	33829814	ZPRURHACUXSVGY-HZGVNTEJSA-N	160.263	1.508	50	30	ADGC	
Cc1ccc(C(=O)C(=O)Cl)cc1	34140149	RGXFIUMDEHFGIK-UHFFFAOYSA-N	182.606	1.943	50	30	ADGC	
CC(=O)C1=C(C#N)N=N[C@@H]1C	39069606	CDRSHZUCVYZADO-SCSAIBSYSA-N	149.153	1.207	50	30	ADGC	
CC(=O)SCCC(=O)Cl	39345765	XEYWOETXQNDSED-UHFFFAOYSA-N	166.629	1.422	50	30	ADGC	in-vitro
CCC1(N=C=O)CC1	107454450	XJBXGMDWQPLDNY-UHFFFAOYSA-N	111.144	1.265	50	30	ADGC	
CC[C@@H](O)CCBr	34469172	MDEOBMBGEXCNTP-RXMQYKEDSA-N	167.046	1.542	50	30	ADGC	
COCC[C@H](C)Br	45044471	RKFOMXBDHZVLJX-YFKPBYRVSA-N	167.046	1.806	50	30	ADGC	in-vitro
O=C1CC[C@H](Cl)C[C@H]1Cl	138197860	RYWOZNGENNUQOQ-CRCLSJGQSA-N	167.035	1.954	50	30	ADGC	
COC(=O)[C@@H](Cl)c1cccnc1	50977981	KHZUCERFSGXKSM-ZETCQYMHSA-N	185.610	1.535	50	30	ADGC	in-vitro
C/C=C(/Br)C#N	33953288	WOUZQGAYHWFJNF-DUXPYHPUSA-N	145.987	1.809	50	30	ADGC	
CC1[C@@H](N=C=O)CCC[C@@H]1N=C=O	100245899	OHTRJOZKRSVAOX-IUCAKERBSA-N	180.207	1.215	50	30	ADGC	
Br[C@H]1[C@@H]2COC[C@H]12	306582995	DPLRTUCUZWSSQA-SCDXWVJYSA-N	163.014	1.026	50	30	ADGC	
COC(=O)/C(C#N)=C/CC(C)C	21991177	XQKFLKVOVNWEMQ-VMPITWQZSA-N	167.208	1.655	50	30	ADGC	
CC(F)(F)c1noc(CCl)n1	142663930	HDPVQXHCCPWCGC-UHFFFAOYSA-N	182.557	1.920	50	30	ADGC	
CC(C)[C@H](O)CCCl	104712304	LHHHCCUAOCYBKV-ZCFIWIBFSA-N	136.622	1.632	50	30	ADGC	
C[C@]1(C2CC2)CC(=O)[C@H]1Cl	39125406	VLNBOKYABZLPAT-HTQZYQBOSA-N	158.628	1.983	50	30	ADGC	
O=S(=O)(F)CCCCCCF	95785553	VBDIRKCYFKHOAR-UHFFFAOYSA-N	186.223	1.816	50	30	ADGC	
O[C@@H]1CCC[C@@H](CCl)C1	104730111	CNBXMNAOXSVAFB-RNFRBKRXSA-N	148.633	1.776	50	30	ADGC	in-vitro
O=C1C[C@@H](CCl)C12CCC2	2265384620	BHOBPHAMOOHDSV-LURJTMIESA-N	158.628	1.985	50	30	ADGC	
C[C@H]1CCc2c1nn(C)c2C(=O)Cl	45792669	KWKXPNYQEVMPFK-YFKPBYRVSA-N	198.653	1.849	50	30	ADGC	
C=C[C@@H](Cl)CCOC	2563343	MLYSABYEFSOYDB-ZCFIWIBFSA-N	134.606	1.816	50	30	ADGC	
CC[C@H](COC)N=C=S	33608494	IVNMWEWWGCVXEY-ZCFIWIBFSA-N	145.227	1.514	50	30	ADGC	
O=C1Cc2cccc(F)c2C(=O)O1	115973064	KSKAAXRFYFFTKU-UHFFFAOYSA-N	180.134	1.065	50	30	ADGC	
O=C=N[C@H]1C=CCC1	146548404	BYNYZBUHAYTYEB-LURJTMIESA-N	109.128	1.041	50	30	ADGC	
O=C1OC(=O)C2=C1[C@H]1CC[C@@H]2CC1	2265340056	ZECOOENHOVXEDD-OLQVQODUSA-N	178.187	1.186	50	30	ADGC	
CC(C)C(=O)O[C@@H](C)Cl	39406386	HGBDENWEGVXBJB-YFKPBYRVSA-N	150.605	1.770	50	30	ADGC	in-vitro
OCC(F)(F)CBr	238693177	JCDHRVTXINIMAY-UHFFFAOYSA-N	174.972	1.009	50	30	ADGC	in-vitro
C1=Cc2ncccc2OO1	100132919	LTZRLMASBMUIBV-UHFFFAOYSA-N	135.122	1.376	50	30	ADGC	
O=C(CC1CC1)OCCl	224058030	YCUKZZYRTRKHNB-UHFFFAOYSA-N	148.589	1.526	50	30	ADGC	
O=C(Cl)N1CC(C(F)(F)F)C1	958678792	HTUBMXZUVKOYAA-UHFFFAOYSA-N	187.548	1.839	50	30	ADGC	
COC(=O)CCC(=O)[C@H](C)Cl	36459023	SWNOBSIHUWZFLM-YFKPBYRVSA-N	178.615	1.136	50	30	ADGC	
COC(=O)[C@H]1[C@@H](C(=O)Cl)C1(C)C	39056911	ONSOHWSBYGOQMM-CRCLSJGQSA-N	190.626	1.197	50	30	ADGC	
C#CCOCCBr	1639893	DHPKZCYUYUEPSH-UHFFFAOYSA-N	163.014	1.031	50	30	ADGC	
CCOC(=O)[C@H](C)CBr	2579102	VTORDCJYLAYUQF-RXMQYKEDSA-N	195.056	1.581	50	30	ADGC	
CSSC(C)=O	3638428	NLVICNKKKXOHMP-UHFFFAOYSA-N	122.214	1.544	50	30	ADGC	
C=C(C#N)CC	32150146	TVONJMOVBKMLOM-UHFFFAOYSA-N	81.118	1.476	50	30	ADGC	
N#C/C(C(N)=O)=C1/CCc2ccccc21	32234131	AWEZTDJFBVXUSK-ZHACJKMWSA-N	198.225	1.395	50	30	ADGC	
CC(=O)[C@@H](Cl)C(=O)OC(C)(C)C	138360791	ZTHHPFWQCBJKDK-ZCFIWIBFSA-N	192.642	1.525	50	30	ADGC	in-vitro
C[C@H]1C/C(=N\NC(N)=O)CC(C)(C)C1	4697282	GPOZBXAWJMJAJE-ZMMCGQQISA-N	197.282	1.857	50	30	ADGC	
CC(=O)[C@H](C)CCCl	104732346	XKEZKJHAYZEVNQ-RXMQYKEDSA-N	134.606	1.840	50	30	ADGC	in-vitro
O=C(O)C(F)(F)[C@H](F)Cl	37625052	IIJWIPPCXINBOZ-SFOWXEAESA-N	162.494	1.241	50	30	ADGC	
Nc1cc(C(=O)Cl)ccc1O	39056335	JOUURBTYZFPSQK-UHFFFAOYSA-N	171.583	1.353	50	30	ADGC	
C[C@@H](Cl)c1nccc(N)n1	87736120	GYRPNAFKRXTCSA-SCSAIBSYSA-N	157.604	1.359	50	30	ADGC	
ClCc1nnc(N2CCCC2)o1	236022834	PWZCVLSVWUKKGM-UHFFFAOYSA-N	187.630	1.409	50	30	ADGC	
CC(C)(C)[C@@H](Br)C(=O)O	1757856	MJLVLHNXEOQASX-BYPYZUCNSA-N	195.056	1.881	50	30	ADGC	in-vitro
N#Cc1ccc(N=C=O)c(F)c1	86498447	IYZVZWLOBDAREX-UHFFFAOYSA-N	162.123	1.665	50	30	ADGC	
CC(C)OCC(=O)CCl	96378866	KZHXZSDWLIUHIP-UHFFFAOYSA-N	150.605	1.219	50	30	ADGC	
CC(=O)[C@@H](Cl)C(=O)OC(C)C	103840622	XHUMMHPAJGZLFR-ZCFIWIBFSA-N	178.615	1.134	50	30	ADGC	
C[Si](C)(C)CN=C=O	196043730	QTXRJCHTPLNKKZ-UHFFFAOYSA-N	129.235	1.200	50	30	ADGC	
CO[C@@H](Cl)[C@H](Cl)OC	138513632	TVRLVRWGJUVLQS-QWWZWVQMSA-N	159.012	1.409	50	30	ADGC	
F[C@@H](CBr)[C@@H]1CCOC1	258208735	XNXDHBSKQIUYQZ-RITPCOANSA-N	197.047	1.756	50	30	ADGC	
CCCCC[C@@H](O)C#N	100174805	JEWPACUDYNBTSN-SSDOTTSWSA-N	127.187	1.451	50	30	ADGC	
O=C(CBr)C1(Cl)CC1	143938451	PPFFZSUXZGBQDY-UHFFFAOYSA-N	197.459	1.722	50	30	ADGC	
N#C/C=C/c1ccccn1	34539707	ZIMQURWVGPGVMM-HWKANZROSA-N	130.150	1.618	50	30	ADGC	in-vitro
CC[C@]1(C)OC(=O)N/C1=C\C#N	39094260	LAFSMRRWJJUUEP-HORMHSFOSA-N	166.180	1.302	50	30	ADGC	
COc1ccc2c(c1F)C(=O)OC2=O	141996362	OCAJCNGEKLAQNY-UHFFFAOYSA-N	196.133	1.145	50	30	ADGC	
N#CC(C#N)=CN[C@H]1CCSC1	20421219	UUGGKRUXMQCBPH-QMMMGPOBSA-N	179.248	1.013	50	30	ADGC	
O=[N+]([O-])[C@@]1(F)C=C(F)C=C[C@@H]1Cl	21299107	BOMLJTAAERPHOJ-WDSKDSINSA-N	195.552	1.960	50	30	ADGC	
C[C@H](I)C#N	34574557	MEKNBSXCEMCLHJ-VKHMYHEASA-N	180.976	1.333	50	30	ADGC	
O=[N+]([O-])c1cnc(CCl)nc1	95757419	QHKYGYFEHXJKTG-UHFFFAOYSA-N	173.559	1.124	50	30	ADGC	
CCOC(=O)/C=C/CCl	104687906	JJZUTSOGYBJOOF-ONEGZZNKSA-N	148.589	1.345	50	30	ADGC	
CC(C)[C@H]1c2cccc(C(=O)NN)c21	223579098	PTEOGTPEWRCWOD-VIFPVBQESA-N	190.246	1.391	50	30	ADGC	
C[C@@H](Cl)c1nnnn1C1CC1	97053628	DDBQECGXKYFQCZ-SCSAIBSYSA-N	172.619	1.308	50	30	ADGC	
BrC[C@H]1COCCCO1	237991158	LLCPJHFMUBGJLZ-LURJTMIESA-N	195.056	1.187	50	30	ADGC	
C=C(C#N)C(C)C	96331002	CCMZKOAOMQSOQA-UHFFFAOYSA-N	95.145	1.722	50	30	ADGC	
C=C[C@H]1C=CCS[S@]1=O	33829817	ZPRURHACUXSVGY-RCOVLWMOSA-N	160.263	1.508	50	30	ADGC	biogenic,in-vitro
COC1(OC)CC(Br)C1	390821991	AQTIVKVEGYIQBF-UHFFFAOYSA-N	195.056	1.533	50	30	ADGC	
C[C@]1(C#N)CCN(C(=O)Cl)C1	885337748	FCQSFZUAGVCZHC-SSDOTTSWSA-N	172.615	1.581	50	30	ADGC	
C[C@]1(CN)C[C@H]1Br	238478091	QCKWPWCTVIBNIY-RFZPGFLSSA-N	164.046	1.119	50	30	ADGC	
C[C@H]1CO[C@@H](CCCl)O1	6037909	LMKBJXAPLYHFGC-NTSWFWBYSA-N	150.605	1.377	50	30	ADGC	
CCC(=O)OCOC(=O)Cl	34369447	YVYSIZZTTQEOJW-UHFFFAOYSA-N	166.560	1.273	50	30	ADGC	
C#Cc1ccc(N=C=O)cc1	143664443	KGTKIKXAWGTZTR-UHFFFAOYSA-N	143.145	1.635	50	30	ADGC	
O=C(Cl)N1CCO[C@H](C2CC2)C1	885553902	QWHHMTXITGPMMZ-ZETCQYMHSA-N	189.642	1.456	50	30	ADGC	
CC(=O)c1cc(COO)oc1C	100129199	CEMIDOILQHMHDJ-UHFFFAOYSA-N	170.164	1.780	50	30	ADGC	
CCOC(=O)[C@@H](Cl)C(=O)C(C)C	100026863	AUWPEXCKPSIEIX-LURJTMIESA-N	192.642	1.382	50	30	ADGC	
COC(=O)[C@@](C)(F)CBr	33835150	YEPMIIDZZPEMFF-YFKPBYRVSA-N	199.019	1.283	50	30	ADGC	in-vitro
CSCCCCl	38063438	RAVGOEYQXCTKGT-UHFFFAOYSA-N	124.636	1.978	50	30	ADGC	in-vitro
CO[C@H]1CC[C@H](Br)C1	143646401	MBBUVUBRFAYZRA-WDSKDSINSA-N	179.057	1.949	50	30	ADGC	in-vitro
N#C/C=C1\CCC[C@H]1C(=O)O	39066136	SFCPMSITVOCEHB-PTYLAXBQSA-N	151.165	1.321	50	30	ADGC	
CC(C)OC(=O)[C@H](Cl)CCl	111344057	DQNKZNXCBULFCV-RXMQYKEDSA-N	185.050	1.784	50	30	ADGC	
CC(C)(Cl)C(=O)CBr	211449374	CKUTVTHQFQALDD-UHFFFAOYSA-N	199.475	1.968	50	30	ADGC	
CC(=O)NNc1ccccc1F	306547431	KTBXAHPMGUZEEK-UHFFFAOYSA-N	168.171	1.289	50	30	ADGC	
C[C@H](Br)[C@@H](C)O	39238142	JCYSVJNMXBWPHS-IUYQGCFVSA-N	153.019	1.151	50	30	ADGC	
C[C@H]1CCC[C@@H](N=C=O)C1	62822017	UJVPXDHXSWWVTJ-JGVFFNPUSA-N	139.198	1.901	50	30	ADGC	
O[C@@H]1CCC[C@H](CCl)C1	104730108	CNBXMNAOXSVAFB-NKWVEPMBSA-N	148.633	1.776	50	30	ADGC	in-vitro
BrCCCc1cn[nH]c1	54669972	RHXMDWPVXJQNIU-UHFFFAOYSA-N	189.056	1.737	50	30	ADGC	
C[C@@H]1CN2C(=S)SSC2=N1	2265356064	HBPWLKZHSGCXBC-GSVOUGTGSA-N	190.318	1.726	50	30	ADGC	
CC(=O)O[C@@H](C)[C@H](C)Cl	107360132	NCIUPQANRXKHMV-WHFBIAKZSA-N	150.605	1.565	50	30	ADGC	
CC1=C(OC(C)C)[C@@H](Cl)C1=O	135767819	SYGVFFMUAWQILL-LURJTMIESA-N	174.627	1.876	50	30	ADGC	
CC1=C(C=O)C(C)(C)C=C[C@H]1O	136785143	OUNYGIXTYVQPLW-SECBINFHSA-N	166.220	1.459	50	30	ADGC	
ClCc1cnc(CCl)nc1	101778623	HZLBEEAMWXSDIA-UHFFFAOYSA-N	177.034	1.954	50	30	ADGC	
CC(=O)N[C@@]1(C#N)CC[C@@H](Cl)C1	104458944	RKIXDLRUDHZQFP-SFYZADRCSA-N	186.642	1.176	50	30	ADGC	
C=C[C@@]1(C=O)CC=C(C=O)CC1	33605214	DMZMZBUQFDOHPN-SNVBAGLBSA-N	164.204	1.667	50	30	ADGC	
N#CC1CCN(C(=O)Cl)CC1	141185590	DMUCTISSSRYDFG-UHFFFAOYSA-N	172.615	1.581	50	30	ADGC	
Cc1ncoc1C(=O)O[Si](C)(C)C	195779386	FOCDUAGXHUTACL-UHFFFAOYSA-N	199.282	1.975	50	30	ADGC	
C/C=C/C=N/NC(=O)N/N=C/C=C/C	2044858	HPRSHVDHVRKXRU-FPTHMUSISA-N	194.238	1.409	50	30	ADGC	
CCOCc1nc(CCl)no1	26515945	HPEXPESLLSLKMN-UHFFFAOYSA-N	176.603	1.345	50	30	ADGC	
O=C(N=C=S)C1CCOCC1	35660246	QCPPHZGZDOALJG-UHFFFAOYSA-N	171.221	1.042	50	30	ADGC	
CS[C@@H](C)Cl	39339666	XFVMALALJWFNST-VKHMYHEASA-N	110.609	1.934	50	30	ADGC	
O=C(Cl)[C@@H]1C[C@H]2CC[C@H]1O2	219770735	JJGKKDICTIBBCW-HSUXUTPPSA-N	160.600	1.319	50	30	ADGC	
CO/C=C/C=C(C#N)C#N	5996650	MALUIHGUZRXIGV-DUXPYHPUSA-N	134.138	1.120	50	30	ADGC	
CC(=O)NCCCO[Si](C)(C)C	196372176	FOEJBLWXIRBMDQ-UHFFFAOYSA-N	189.331	1.364	50	30	ADGC	
N#C[C@@H]1OCC[C@H]1Br	238017656	RGNBBGYKBYBZLZ-UHNVWZDZSA-N	176.013	1.062	50	30	ADGC	
C[C@]12CCC[C@@H]1[C@H](Cl)C2=O	39125592	UVONOUWBTAUXPO-CHKWXVPMSA-N	158.628	1.983	50	30	ADGC	
BrCC1=CCCOC1	222453419	OIQFFXBBENNDKD-UHFFFAOYSA-N	177.041	1.728	50	30	ADGC	
C[C@@H]1C/C(=N\NC(N)=O)CC(C)(C)C1	4697275	GPOZBXAWJMJAJE-MEEZGBQKSA-N	197.282	1.857	50	30	ADGC	
CC(C)COC(=O)N(C)CCl	34227258	CWWVONRHYWLLFY-UHFFFAOYSA-N	179.647	1.907	50	30	ADGC	
N#C[C@H](O)Cc1ccc(F)cc1F	97957414	MGGLYCWZIDBUHT-MRVPVSSYSA-N	183.157	1.392	50	30	ADGC	in-vitro
O=CC1=CNc2ccccc2C1	39063409	JPZIBAJGRPFSMW-UHFFFAOYSA-N	159.188	1.737	50	30	ADGC	
NC(=O)c1cccc(N=C=S)c1	140274734	WEQNVUZRJACTQW-UHFFFAOYSA-N	178.216	1.520	50	30	ADGC	
C/C(C=O)=C\c1coc(C)n1	2507135	REKPDRFUTJJZPF-ZZXKWVIFSA-N	151.165	1.585	50	30	ADGC	
Cn1c([N+](=O)[O-])cnc1CCl	39375318	PDISGXFXQFGQFB-UHFFFAOYSA-N	175.575	1.067	50	30	ADGC	in-vitro
CNC(=O)[C@@H](C)SCCCl	6032476	KIMYRORYRNZWDJ-RXMQYKEDSA-N	181.688	1.093	50	30	ADGC	
N#C[C@@H](O)C(Cl)(Cl)Cl	95762531	UFVLRHXFRXZBHS-UWTATZPHSA-N	174.414	1.241	50	30	ADGC	
CC(C)OC(=O)[C@@H](Cl)CCl	111344060	DQNKZNXCBULFCV-YFKPBYRVSA-N	185.050	1.784	50	30	ADGC	
O=C(CCCF)OCCCl	2040724	RBTZOCMNAYPQLS-UHFFFAOYSA-N	168.595	1.518	50	30	ADGC	
O=C(CBr)CC1CC1	39128170	HZBAJDUXDQLYQX-UHFFFAOYSA-N	177.041	1.751	50	30	ADGC	in-vitro
C=C[Si](OC)(OC)c1ccccc1	195756027	IJNRGJJYCUCFHY-UHFFFAOYSA-N	194.306	1.354	50	30	ADGC	
COc1cc(N=C=O)ccc1F	88125223	XPQVQIJEKXNCFC-UHFFFAOYSA-N	167.139	1.802	50	30	ADGC	
O=C=NC1=CCCCC1	141631679	HKFODWBNXPUDMY-UHFFFAOYSA-N	123.155	1.780	50	30	ADGC	
CCC[C@H](Cl)C(=O)O	2507434	WZZRDRYYUVHLRD-BYPYZUCNSA-N	136.578	1.479	50	30	ADGC	
O[C@@H]1c2ccccc2C[C@@H]1Cl	4962141	SKUCQUAQEKVSAQ-DTWKUNHWSA-N	168.623	1.884	50	30	ADGC	
COC(C)(C)C(=O)CCl	39125543	FWXZFIQYZBZQIE-UHFFFAOYSA-N	150.605	1.219	50	30	ADGC	in-vitro
C[C@@H]1CN(C(=O)Cl)CCO1	86889697	RYAYGDDXNUGATM-RXMQYKEDSA-N	163.604	1.066	50	30	ADGC	
CC(C)NC(=O)Cl	39268208	MFPXPCGVNXPRLZ-UHFFFAOYSA-N	121.567	1.343	50	30	ADGC	in-vitro
O=C(O)Cc1ccc(C(=O)Cl)cc1	45792731	JGVPWKIYGAVSEA-UHFFFAOYSA-N	198.605	1.693	50	30	ADGC	
C=CCN(CC=C)C(=O)[C@H](C)Cl	19518296	MDULRZHSTPYALN-QMMMGPOBSA-N	187.670	1.814	50	30	ADGC	in-vitro
CC1(C)CN(CCCl)C(=O)O1	575461738	UCQSUJFXSWWHTJ-UHFFFAOYSA-N	177.631	1.456	50	30	ADGC	
CCOC(=O)[C@H]1CC[C@@H]1C(=O)Cl	39056887	CDYCAPOOETXJGE-WDSKDSINSA-N	190.626	1.341	50	30	ADGC	
CC(C)[C@@H](Cl)CN	78066006	YZUIBBOUDUJHFP-YFKPBYRVSA-N	121.611	1.209	50	30	ADGC	
CSCCN=C=S	69012246	NRORKJAOHOBIMQ-UHFFFAOYSA-N	133.241	1.452	50	30	ADGC	endogenous,in-man
N#Cc1cnccc1CCl	71260825	XMGVMOVUVZVEJU-UHFFFAOYSA-N	152.584	1.692	50	30	ADGC	in-vitro
CCC[S@@](=O)Cl	100555888	ILUVJGOKAOXNHT-LURJTMIESA-N	126.608	1.299	50	30	ADGC	in-vitro
COC(=O)[C@@H](C)[C@H](C)Br	148011543	DLRNLDASULNNIJ-WHFBIAKZSA-N	195.056	1.579	50	30	ADGC	
COC1(OC)CC(C(=O)Cl)C1	39056542	MSBDSSIMHZGUAY-UHFFFAOYSA-N	178.615	1.151	50	30	ADGC	
CC(=O)OC(C)(C)CBr	86864164	KFIMGMQVSWHVAT-UHFFFAOYSA-N	195.056	1.723	50	30	ADGC	in-vitro
COCc1ccc(N=C=O)cc1	218078583	LRSPIUJTWKODRK-UHFFFAOYSA-N	163.176	1.800	50	30	ADGC	in-vitro
BrC[C@@H]1C[C@H]2C=C[C@@H]1O2	149331511	QGTMMDGGDRKJIX-XVMARJQXSA-N	189.052	1.725	50	30	ADGC	
Oc1ccnc(CCl)c1	238728650	PRCHRWQAFZBVMO-UHFFFAOYSA-N	143.573	1.526	50	30	ADGC	
[C-]#[N+]CC1(CC)OCCO1	2265385217	RKQYJYLYHQXJAA-UHFFFAOYSA-N	141.170	1.059	50	30	ADGC	
O=C(Cl)N1C[C@H]2CC[C@H]1C2	125609751	KHKKPWUKQGUPKA-WDSKDSINSA-N	159.616	1.830	50	30	ADGC	
Cn1c(CCl)nc2ccncc21	104461480	AORNLDQGIIYJQW-UHFFFAOYSA-N	181.626	1.707	50	30	ADGC	
C[C@H](Cl)c1nc(N)nc(Cl)n1	216658721	RURQYSQCMPPIRH-REOHCLBHSA-N	193.037	1.407	50	30	ADGC	in-vitro
[C-]#[N+]CCN1CCCC[C@H]1C	100250153	GUPZNQQKLOVMSL-SECBINFHSA-N	152.241	1.780	50	30	ADGC	
CC(=N\O)/C(CBr)=N\O	111899518	RSLGMHNAVRSVNR-JOVCIAKGSA-N	195.016	1.062	50	30	ADGC	
COC(C)(C)C(=O)CBr	39285354	RLEAJEINZQWXQO-UHFFFAOYSA-N	195.056	1.375	50	30	ADGC	in-vitro
C=CC1(CBr)OCCO1	88189971	KPDPJISYABQVRB-UHFFFAOYSA-N	193.040	1.310	50	30	ADGC	in-vitro
O=[S@](Cl)C1CCC1	675067381	BTXFCJKOPVPUBV-ZETCQYMHSA-N	138.619	1.441	50	30	ADGC	
O=C=N[C@H]1CCC[C@H]1Br	39112076	QCTAXGNDSYUWKO-RITPCOANSA-N	190.040	1.638	50	30	ADGC	
O=CC1=CCC[C@H]2C[C@]12C=O	100052904	SGBMCPLPBYSHKJ-IONNQARKSA-N	150.177	1.111	50	30	ADGC	
CC(F)(F)C(=O)CCl	104711405	ZAWGWKFYGOXHKD-UHFFFAOYSA-N	142.532	1.450	50	30	ADGC	
COC(=O)C1CC(=CC#N)C1	39087628	VASSGPXCISDGCU-UHFFFAOYSA-N	151.165	1.019	50	30	ADGC	
COCC[C@@H](C)Br	45044473	RKFOMXBDHZVLJX-RXMQYKEDSA-N	167.046	1.806	50	30	ADGC	in-vitro
O=[S@@](CCCl)C(F)(F)F	140160761	FNNLOFOFBJZNCE-SECBINFHSA-N	180.578	1.494	50	30	ADGC	
N#Cc1cccc(F)c1N=C=O	238538181	RLKWQZGHFBCXJB-UHFFFAOYSA-N	162.123	1.665	50	30	ADGC	
CC(C)[C@]1(O)CC=C(C=O)CC1	39104305	KRNODJHEWYJNFQ-JTQLQIEISA-N	168.236	1.683	50	30	ADGC	
O=C1NCCCCC[C@@H]1Cl	75824158	RVTQUNOCGRKGTN-LURJTMIESA-N	161.632	1.284	50	30	ADGC	
O=C(CBr)[C@@H]1CC1(F)F	95774645	MQTZMYKVBVLRHW-VKHMYHEASA-N	198.994	1.606	50	30	ADGC	
ClCCC1OCCCO1	5190715	IOEDYYKJRCADRS-UHFFFAOYSA-N	150.605	1.378	50	30	ADGC	
N[C@@H]1CCC[C@@H]1Br	74942432	YTSGAVHWZSBZAL-CRCLSJGQSA-N	164.046	1.261	50	30	ADGC	in-vitro
CO[C@H](Cl)[C@@H](Cl)OC	138513771	TVRLVRWGJUVLQS-IMJSIDKUSA-N	159.012	1.409	50	30	ADGC	
COC[C@@]1(C)C[C@H]1Br	238340723	UHIUMKWQIFASMH-PHDIDXHHSA-N	179.057	1.806	50	30	ADGC	
CC(C)OCc1noc(CCl)n1	395519172	LWAOGQPUXYKOLE-UHFFFAOYSA-N	190.630	1.733	50	30	ADGC	
O=C=N[C@H]1Cc2ccccc2O1	19428276	HIEYGYKJZWUNFC-SECBINFHSA-N	161.160	1.283	50	30	ADGC	
BrCCc1cnccn1	69049420	BNEWGWOTWZOZNU-UHFFFAOYSA-N	187.040	1.414	50	30	ADGC	
C=C(OC)O[Si](C)(C)C	195834975	JMGIVWPNULLYDD-UHFFFAOYSA-N	146.262	1.956	50	30	ADGC	
C=C/C=C/C#N	1603238	STSRVFAXSLNLLI-ONEGZZNKSA-N	79.102	1.252	50	30	ADGC	
CC(C)(C)[C@@H](Br)C(N)=O	33506020	PLXPZSSUCGOIHP-BYPYZUCNSA-N	194.072	1.281	50	30	ADGC	in-vitro
CCCC[C@@H](Cl)C(=O)OC	5514930	ZKEGALQDZGNQIK-ZCFIWIBFSA-N	164.632	1.957	50	30	ADGC	
CO[C@H](C)[C@@H](C)Br	111353721	MNFFVQPIBJUTHA-RFZPGFLSSA-N	167.046	1.805	50	30	ADGC	
CO[C@@H]1C[C@@H]1Br	238334062	BLBYSMUZLRWJHM-IUYQGCFVSA-N	151.003	1.169	50	30	ADGC	
CCCC[C@H](O)CBr	34408332	DDKNWTWTCVDWQK-LURJTMIESA-N	181.073	1.932	50	30	ADGC	
CC/C=C(/C=O)CC	33840714	STWQWFMLBVYZTH-FNORWQNLSA-N	112.172	1.932	50	30	ADGC	
ClCCCN1CCCOCC1	61932296	FKCFJOSTXDGXCJ-UHFFFAOYSA-N	177.675	1.338	50	30	ADGC	
C[C@H](Cl)c1nc[nH]n1	141429385	JDPVHATWHXJFJM-VKHMYHEASA-N	131.566	1.105	50	30	ADGC	
CC(C)CC(=O)OCCl	32182885	GDUQVLASZBFABN-UHFFFAOYSA-N	150.605	1.772	50	30	ADGC	in-vitro
CCSCCC(=O)Cl	39316492	UAPUUNSUMRICST-UHFFFAOYSA-N	152.646	1.895	50	30	ADGC	
CO[C@H](C)CCOC(=O)CCCl	2042346	PUBWRORXIWRYBK-SSDOTTSWSA-N	194.658	1.584	50	30	ADGC	
O=C(O)CCCCN=C=S	29466052	WWLWLQMIFGULGR-UHFFFAOYSA-N	159.210	1.344	50	30	ADGC	
CCc1nnc(CBr)o1	88107890	WFTCKOZEVSHEAN-UHFFFAOYSA-N	191.028	1.527	50	30	ADGC	
CCC(=O)OC[C@@H](C)Br	59495416	YCBKTQWFIBVEQP-RXMQYKEDSA-N	195.056	1.723	50	30	ADGC	
O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](CC3)[C@@H]12	2265347471	BRHQMPOFCRGJCM-ULAWRXDQSA-N	180.203	1.122	50	30	ADGC	
C[C@H](Cl)[C@H](O)CCl	104732650	RCWHZEBSWOBIDT-IUYQGCFVSA-N	143.013	1.213	50	30	ADGC	
O=C=Nc1cnsc1	83267341	XNMRCWNUIBXZDF-UHFFFAOYSA-N	126.140	1.110	50	30	ADGC	
O=C1OC(=O)[C@]2(c3ccccc3)C[C@@H]12	100494210	VRVFLPPXIRCEOE-KWQFWETISA-N	188.182	1.028	50	30	ADGC	
BrCC12CC(CO1)C2	716099660	DYOOINOBXMHTJP-UHFFFAOYSA-N	177.041	1.560	50	30	ADGC	
ClC1[C@H]2C=C[C@@H]1C=C2	2265339974	UIHVXVCUGFNPTE-MEKDEQNOSA-N	126.586	1.966	50	30	ADGC	
COP(Cl)N1CCOCC1	100494103	TUPHSXUSEZYQQS-UHFFFAOYSA-N	183.575	1.431	50	30	ADGC	
N[P@@]1(=O)OCCCN1CCCl	5134119	ROGLJLJCDSTWBN-LLVKDONJSA-N	198.590	1.014	50	30	ADGC	endogenous,world
CC[C@H](Br)C(OC)OC	38251750	OXJUWNGIXKTRMK-YFKPBYRVSA-N	197.072	1.779	50	30	ADGC	
C=CC[C@H](CBr)OC	197505229	YRCYKGDOLJUXGD-ZCFIWIBFSA-N	179.057	1.972	50	30	ADGC	
CC1(C)C[C@H](C(=O)Cl)CO1	39056256	SZZJVJDJJYGTAE-YFKPBYRVSA-N	162.616	1.567	50	30	ADGC	
N#CSCC#CCCl	104712762	SIVMBZMEIODFSN-UHFFFAOYSA-N	145.614	1.443	50	30	ADGC	
C=C(C)C(=O)OCCC(=O)Cl	117913881	ZRHZZDWSOXSCCF-UHFFFAOYSA-N	176.599	1.261	50	30	ADGC	
BrC[C@H]1CSCCO1	253185991	QTQCKSBURQIQBB-YFKPBYRVSA-N	197.097	1.513	50	30	ADGC	
CN1CCC(N(C)C(=O)Cl)CC1	62466336	GXQHXUNAJJETEK-UHFFFAOYSA-N	190.674	1.371	50	30	ADGC	
C#C[C@@](O)(CCl)CCCC	104733103	XEALFIPMTNLHDK-QMMMGPOBSA-N	160.644	1.780	50	30	ADGC	
O=C1CCC[C@@H](CBr)N1	217616734	WNYPGLMMEOPDPQ-YFKPBYRVSA-N	192.056	1.050	50	30	ADGC	
O=C1O[C@H](CCl)[C@H](CCl)O1	217622269	IGISNBCFUUVAFY-ZXZARUISSA-N	185.006	1.368	50	30	ADGC	
O=C(Cl)[C@H]1CCCOC1	54768871	AVCXUTJRMZPYBY-YFKPBYRVSA-N	148.589	1.178	50	30	ADGC	
CCC(=O)OC[C@H](C)Br	59495417	YCBKTQWFIBVEQP-YFKPBYRVSA-N	195.056	1.723	50	30	ADGC	
CC(C)(CCCN=C=O)CN=C=O	111900670	OUJCKESIGPLCRN-UHFFFAOYSA-N	182.223	1.464	50	30	ADGC	
C=CCN(C)C(=O)Cl	148127754	UEKTZPNFEQJPLZ-UHFFFAOYSA-N	133.578	1.463	50	30	ADGC	
C[C@]1(C(=O)O)C[C@H]1Cl	33608855	UDAHHJRBNYAHSW-WUJLRWPWSA-N	134.562	1.088	50	30	ADGC	
CS(C)(=O)=NC(=O)Cl	306391744	AFKDLTDFOVVRAN-UHFFFAOYSA-N	155.606	1.073	50	30	ADGC	
COC(=O)NN=Cc1cccc(O)c1	12950828	HYWDWVLTYQMHDX-UHFFFAOYSA-N	194.190	1.082	50	30	ADGC	
C#CCCCCNC(=O)CCl	143412089	YQDXXLTYDIDZDT-UHFFFAOYSA-N	173.643	1.145	50	30	ADGC	
CO[C@H]1CCN(C(=O)Cl)C1	234792014	OOCJQEKBFZXKFT-YFKPBYRVSA-N	163.604	1.066	50	30	ADGC	
Cn1nnc(CCl)c1C(F)(F)F	757138010	QIUWUMURKIVNEN-UHFFFAOYSA-N	199.563	1.573	50	30	ADGC	
C=C(C#N)C(=O)OCCCCC	5512758	SXRFXXNXVPFXDU-UHFFFAOYSA-N	167.208	1.800	50	30	ADGC	
CCOC(=O)[C@@H]1C[C@H]1Br	98178249	SAZVRBIIIQJYQT-RFZPGFLSSA-N	193.040	1.333	50	30	ADGC	
N#CC(F)=C(F)F	5112474	KDUAIKFAYXQCMF-UHFFFAOYSA-N	107.034	1.588	50	30	ADGC	
CC/C(C)=C/C=O	5761767	XGADWNHARGAKQG-GQCTYLIASA-N	98.145	1.542	50	30	ADGC	
Cn1c(CCl)nnc1C1CCC1	95348137	QYUGFBUKMNPNDJ-UHFFFAOYSA-N	185.658	1.821	50	30	ADGC	in-vitro
CC1(C)CO[Si](C)(C)OC1	195766042	WVXPCWBDKBJFEY-UHFFFAOYSA-N	160.289	1.761	50	30	ADGC	
C[C@@H](Cl)c1nc(N)nc(Cl)n1	216658680	RURQYSQCMPPIRH-UWTATZPHSA-N	193.037	1.407	50	30	ADGC	in-vitro
N#CSc1cc([N+](=O)[O-])ccc1N	5161730	WDFILKFJEJDOEV-UHFFFAOYSA-N	195.203	1.750	50	30	ADGC	
CS(=O)(=O)CCCCCl	32006613	ISOQQDOAZADWAC-UHFFFAOYSA-N	170.661	1.050	50	30	ADGC	
C[C@H]1CCN(C(=O)Cl)C1	86894003	RWPQKMJZJUTLNC-YFKPBYRVSA-N	147.605	1.687	50	30	ADGC	in-vitro
O[C@H]1CC[C@@H](Cl)CC1	144819789	HVPIAXWCSPHTAY-IZLXSQMJSA-N	134.606	1.529	50	30	ADGC	
CC[C@@H](Cl)C=O	75517603	PZGXJYSPQYRCBB-SCSAIBSYSA-N	106.552	1.203	50	30	ADGC	in-vitro
Cl[C@@H]1OCCC[C@H]1Cl	138675388	PHMXXMFOSQBXNV-RFZPGFLSSA-N	155.024	1.969	50	30	ADGC	
Cc1noc(CCCCl)n1	35658748	MSCDMPDSOLPNSJ-UHFFFAOYSA-N	160.604	1.549	50	30	ADGC	
Br[C@@H]1[C@H]2CCCO[C@@H]21	238856579	WILLARUMZBKVRW-PBXRRBTRSA-N	177.041	1.559	50	30	ADGC	
CC(=O)C(C)(C)CCl	34621605	ZTIQUSIDVGYUBW-UHFFFAOYSA-N	134.606	1.840	50	30	ADGC	
CC[C@@H](Br)CO	39641966	LMEOVPMTQBNCFK-SCSAIBSYSA-N	153.019	1.152	50	30	ADGC	in-vitro
Cc1ncncc1CCl	299889977	RVHKEOVPJXAEPJ-UHFFFAOYSA-N	142.589	1.524	50	30	ADGC	
C[C@@H](Cl)CNCCCl	2383128	YSJCPBULFZDLKJ-RXMQYKEDSA-N	156.056	1.442	50	30	ADGC	in-vitro
O=C(O)C(F)(F)CBr	34361711	XBGZXPPIWCQMFL-UHFFFAOYSA-N	188.955	1.101	50	30	ADGC	in-vitro
CC(C)(C=O)CCl	38281945	ITSRYBRMKMEYHL-UHFFFAOYSA-N	120.579	1.450	50	30	ADGC	in-vitro
CC(=NNC(N)=O)c1ccc(F)cc1	252448717	ZYYTYSQJWLDRSR-UHFFFAOYSA-N	195.197	1.218	50	30	ADGC	
C[C@]12CCC[C@H]1[C@H](Cl)C2=O	39125594	UVONOUWBTAUXPO-HAFWLYHUSA-N	158.628	1.983	50	30	ADGC	
O=C1C[C@@H](C2CCCCC2)C(=O)O1	114424519	GXCZPOCMZIYNRC-QMMMGPOBSA-N	182.219	1.656	50	30	ADGC	
C[C@H](Cl)c1ncno1	40863653	VSIPORBCZAHKKW-VKHMYHEASA-N	132.550	1.369	50	30	ADGC	in-vitro
O[C@H]1CCCC[C@H]1CBr	196208112	FOOFFSRIPHRYFO-BQBZGAKWSA-N	193.084	1.932	50	30	ADGC	
CC(=O)[C@@H](Cl)CF	39068156	AGRXPLJUPXGFOT-BYPYZUCNSA-N	124.542	1.152	50	30	ADGC	
Cc1nc(CCl)c(C)[nH]1	39258814	DTQDBGVATRSORG-UHFFFAOYSA-N	144.605	1.765	50	30	ADGC	
CCOC(=O)[C@H](Cl)C(=O)C(C)C	100026859	AUWPEXCKPSIEIX-ZCFIWIBFSA-N	192.642	1.382	50	30	ADGC	
CC(C)C[C@@](C)(O)C#N	100234006	DWZKXPAWEWMLEJ-SSDOTTSWSA-N	127.187	1.307	50	30	ADGC	
N#CC(C=O)=C1Nc2ccccc2N1	483418	UUKIUGBDYBNAIZ-UHFFFAOYSA-N	185.186	1.458	50	30	ADGC	
COCc1cc(CCl)on1	39113096	SGGYGPPIFVYPHA-UHFFFAOYSA-N	161.588	1.560	50	30	ADGC	
CCCC(=O)CBr	39127833	XNHTZBFSFZSWOO-UHFFFAOYSA-N	165.030	1.751	50	30	ADGC	in-vitro
O=C=N[C@H]1CCCS1	146833294	VQBYZWFTXHKFTN-RXMQYKEDSA-N	129.184	1.175	50	30	ADGC	
CNC(=O)[C@H](C)SCCCl	6020090	KIMYRORYRNZWDJ-YFKPBYRVSA-N	181.688	1.093	50	30	ADGC	
C[C@]12C=CCC[C@H]1C(=O)OC2=O	100108997	CSHJJWDAZSZQBT-RCOVLWMOSA-N	166.176	1.042	50	30	ADGC	
Cc1cc(CCCl)nn1C	39134103	JROUZBQQKHSIMD-UHFFFAOYSA-N	158.632	1.510	50	30	ADGC	
CN1CCCC/C1=C/C#N	100047819	JWGIYPITWNRSID-YVMONPNESA-N	136.198	1.510	50	30	ADGC	
CC(C)[C@H](N)CBr	126124945	CVDJGITVFXNCOM-RXMQYKEDSA-N	166.062	1.365	50	30	ADGC	
CC(C)C[C@](C)(O)C#N	100085632	DWZKXPAWEWMLEJ-ZETCQYMHSA-N	127.187	1.307	50	30	ADGC	
CC(C)N(C)C(=O)[C@H](C)Cl	22163566	OTLVGRBNPPWUHT-LURJTMIESA-N	163.648	1.481	50	30	ADGC	in-vitro
COc1ccc(C#N)c(N=C=O)c1	238341088	LNROXYCOCQTCCG-UHFFFAOYSA-N	174.159	1.534	50	30	ADGC	
C=CCOC(=O)[C@H](C)Cl	32154390	FDCTVCOKDZZPRP-YFKPBYRVSA-N	148.589	1.343	50	30	ADGC	
CCCC(=N)NCC(=O)Cl	39135996	NFYHAOWIKIAZNA-UHFFFAOYSA-N	162.620	1.119	50	30	ADGC	
BrCC1COCOC1	96034504	RJJCGBADHDOYBY-UHFFFAOYSA-N	181.029	1.002	50	30	ADGC	in-vitro
C[C@H]1C[C@H]2C[C@H]1[C@](O)(C#N)C2	299803308	HRDCNRJPFDWLPA-RBXMUDONSA-N	151.209	1.307	50	30	ADGC	
O=C(Cl)N1CCc2cccnc21	2265384763	VIVDZPHOSGYJAG-UHFFFAOYSA-N	182.610	1.803	50	30	ADGC	
CC(C)S(=O)(=O)CCl	95348296	RABSMKHOJSRIHY-UHFFFAOYSA-N	156.634	1.006	50	30	ADGC	in-vitro
CC(=O)N[C@]1(C#N)CC[C@@H](Cl)C1	104458941	RKIXDLRUDHZQFP-HTQZYQBOSA-N	186.642	1.176	50	30	ADGC	
COc1ncc(CCl)c(C)n1	134416123	GPAUKXJDPTYOJX-UHFFFAOYSA-N	172.615	1.532	50	30	ADGC	
C[C@]12CC=C[C@@H]1C(=O)[C@H]2Cl	306194397	FUDLIEWCXYZDLR-NJUXHZRNSA-N	156.612	1.759	50	30	ADGC	
C=C(C)[C@@H](Br)CO	82164729	QCSFJBXMSHFOGX-YFKPBYRVSA-N	165.030	1.318	50	30	ADGC	in-vitro
C[C@H]1C=C[C@@H](C)[C@@H]2C(=O)OC(=O)[C@@H]12	222103929	UKVSOXGGGOPLAE-YWIQKCBGSA-N	180.203	1.144	50	30	ADGC	
CC(=NNC(=O)C(C)C)C(C)C	307945395	YYIUWIVTPIVXRI-UHFFFAOYSA-N	170.256	1.791	50	30	ADGC	
N=C(N)c1ccc(C(=O)Cl)cc1	34626442	TYEUEBYQZRRNTA-UHFFFAOYSA-N	182.610	1.350	50	30	ADGC	
CO[C@@H]1C=CC[C@H]1Br	39090008	YDGCHIHYOQSJBH-PHDIDXHHSA-N	177.041	1.725	50	30	ADGC	
ClCc1noc2c1COCC2	87547799	CVMOGAMQGSMFAV-UHFFFAOYSA-N	173.599	1.486	50	30	ADGC	
CN1/C(=C\C#N)Nc2ccccc21	100174163	GMLTWTHAVCBYPE-POHAHGRESA-N	171.203	1.913	50	30	ADGC	
CC(C)C[C@H]1CC(=O)OC1=O	104832830	RMYDZBMRAPLPAL-LURJTMIESA-N	156.181	1.122	50	30	ADGC	
Cc1cccc([C@H](O)C#N)c1	85546904	QJOHNFPAIZBELI-SECBINFHSA-N	147.177	1.552	50	30	ADGC	
C[C@@H]1C[C@@H]1C(=O)OC(=O)[C@H]1C[C@H]1C	252188312	UPWQEUMJRMEGGL-NGJRWZKOSA-N	182.219	1.368	50	30	ADGC	
CCCN(CC)CCCl	3635636	JNPIUBFHRYBRJD-UHFFFAOYSA-N	149.665	1.957	50	30	ADGC	
Cc1ccc(CCN=C=O)cc1	19729089	INACVOYMUBCLQY-UHFFFAOYSA-N	161.204	1.873	50	30	ADGC	
CCC(C)(C)c1ccc(B(O)O)cc1	200134728	SSDYYLGUUURCPY-UHFFFAOYSA-N	192.067	1.054	50	30	ADGC	
NC1(C(=O)Cl)CCCCC1	31475082	JOTOFQJAYOTZPA-UHFFFAOYSA-N	161.632	1.413	50	30	ADGC	
COCC[C@H](Cl)C(C)=O	39125468	ASJHGPGWQWEPAT-LURJTMIESA-N	150.605	1.219	50	30	ADGC	
[C-]#[N+]CCCCC[N+]#[C-]	104406077	FNQAPWLAAGKPBO-UHFFFAOYSA-N	122.171	1.995	50	30	ADGC	
CO[C@@H]1CC[C@H](Br)C1	143646183	MBBUVUBRFAYZRA-NTSWFWBYSA-N	179.057	1.949	50	30	ADGC	in-vitro
FC(F)OCCBr	219456841	OCQUJZKDKBEBIN-UHFFFAOYSA-N	174.972	1.621	50	30	ADGC	
CCCC[C@@H](O)CBr	34408333	DDKNWTWTCVDWQK-ZCFIWIBFSA-N	181.073	1.932	50	30	ADGC	
CN(C)/C=C(\C#N)C1CC1	100136802	IQKDHONDFAOBOB-SOFGYWHQSA-N	136.198	1.365	50	30	ADGC	
CCN(C)CCCl	2037752	LKFZXNUTEIHUEH-UHFFFAOYSA-N	121.611	1.177	50	30	ADGC	
COc1cccc([C@H](O)C#N)c1	85546893	XDOJPCPGMDHJAA-SECBINFHSA-N	163.176	1.252	50	30	ADGC	
C=CC(=C)[Si](OC)(OC)OC	196173545	HWCCZVRBWGLIGI-UHFFFAOYSA-N	174.272	1.146	50	30	ADGC	
O=CC(Cl)(Cl)CCl	2036786	VMVQOWJGWBIGEU-UHFFFAOYSA-N	161.415	1.598	50	30	ADGC	
Cc1cc(N=C=O)c(C)o1	19802485	SHYUFFFDGFSRTM-UHFFFAOYSA-N	137.138	1.864	50	30	ADGC	
CCSc1nnc(C(=O)Cl)o1	39057001	QPRVWZNVODQHRT-UHFFFAOYSA-N	192.627	1.561	50	30	ADGC	
O=C(O)/C=C(\Cl)CCl	78422320	QAOMFOWUMQLKIA-IWQZZHSRSA-N	154.980	1.433	50	30	ADGC	
Cc1nnc(CCl)n1C1CC1	90225759	NRYIXFDNFICHHL-UHFFFAOYSA-N	171.631	1.660	50	30	ADGC	in-vitro
C[C@@]12C=CCC[C@@H]1C(=O)OC2=O	100108994	CSHJJWDAZSZQBT-HZGVNTEJSA-N	166.176	1.042	50	30	ADGC	
O=C(Cl)N1CCC2(CC2)C1	885265433	IORACNZASRTVNK-UHFFFAOYSA-N	159.616	1.831	50	30	ADGC	
COC(=O)CC[C@@H](C)Cl	59653643	UHNCLQCIKXIBSA-RXMQYKEDSA-N	150.605	1.567	50	30	ADGC	in-vitro
C[C@H](Cl)C(=O)CCC(=O)O	96330991	KHYKLLDZYPHYIR-BYPYZUCNSA-N	164.588	1.048	50	30	ADGC	
CC(C)[S@@](=O)Cl	100553259	OQATUBOUVJHZOK-LURJTMIESA-N	126.608	1.297	50	30	ADGC	in-vitro
O=[N+]([O-])[C@]1(F)C=C(F)C=C[C@@H]1Cl	21299103	BOMLJTAAERPHOJ-NTSWFWBYSA-N	195.552	1.960	50	30	ADGC	
O=C(Cl)[C@H]1CCC=CO1	39055949	OIEIWAIIOKNLOV-RXMQYKEDSA-N	146.573	1.445	50	30	ADGC	
CC(C)(C=O)CCCl	104716165	ADDYNWQLLPADQI-UHFFFAOYSA-N	134.606	1.840	50	30	ADGC	
CC(C)C[S@@](=O)Cl	59101826	BFDUPJOIMXDACJ-ZETCQYMHSA-N	140.635	1.545	50	30	ADGC	
C#C[C@@H]1C[C@H]1Cl	136344308	LDKOIWCNQHXIKE-RFZPGFLSSA-N	100.548	1.247	50	30	ADGC	
CCC[C@@H](Cl)C(=O)O	2539664	WZZRDRYYUVHLRD-SCSAIBSYSA-N	136.578	1.479	50	30	ADGC	
CC(C)(C)OC(=O)N(N)c1ccco1	2265385105	ZOXMUMXBTBTPLL-UHFFFAOYSA-N	198.222	1.895	50	30	ADGC	
C[C@]1(C(=O)Cl)C[C@H]1Cl	39056044	CWGMHTUESZWIPO-WUJLRWPWSA-N	153.008	1.769	50	30	ADGC	
CCc1cc(CCl)no1	96346902	VASRUENZDOTUKJ-UHFFFAOYSA-N	145.589	1.976	50	30	ADGC	
O=[N+]([O-])c1cnn(CCCl)c1	36883096	DZVUFQCSAHAJHL-UHFFFAOYSA-N	175.575	1.030	50	30	ADGC	in-vitro
CC(=O)OCC1(C(=O)Cl)CCC1	34615363	ROOSNNZFQWHOSW-UHFFFAOYSA-N	190.626	1.485	50	30	ADGC	
CC(C)[C@H](O)CBr	39395490	BTPUKUMEVJBTRZ-RXMQYKEDSA-N	167.046	1.398	50	30	ADGC	
CC(C)(CN)CCl	83339429	MKWFOLKHIRBEIO-UHFFFAOYSA-N	121.611	1.210	50	30	ADGC	in-vitro
CC[C@]1(C)OC(=O)N/C1=C/C#N	100246911	LAFSMRRWJJUUEP-JQTRYQTASA-N	166.180	1.302	50	30	ADGC	
O=C=NCCCBr	2565963	KMDXMJQBNOVBNE-UHFFFAOYSA-N	164.002	1.107	50	30	ADGC	
C[C@@H]1[C@H](C(=O)Cl)C1(F)F	39056010	KRAJVHNJWYGQPH-PWNYCUMCSA-N	154.543	1.653	50	30	ADGC	
CCOC(=O)c1ccnc(CCl)c1	95642214	PMRRQHHQUVAMNU-UHFFFAOYSA-N	199.637	1.997	50	30	ADGC	
CCOC(=O)N/N=C(/C)OCC	5218116	TYDLVSRFOJZHPQ-VURMDHGXSA-N	174.200	1.102	50	30	ADGC	
ClCC[C@H]1CN2CCC1CC2	238578316	IGBNYQRUPZGWRZ-VIFPVBQESA-N	173.687	1.957	50	30	ADGC	
NCCCCCCl	21299693	ZKSVFILTLOPGJC-UHFFFAOYSA-N	121.611	1.354	50	30	ADGC	
CCCCOCCO[SiH](C)C	238790233	IXDKBFDOANOZCJ-UHFFFAOYSA-N	176.332	1.803	50	30	ADGC	
CC(C)C1CC(=O)OC(=O)C1	85948014	OQZNYGQXABGQMO-UHFFFAOYSA-N	156.181	1.122	50	30	ADGC	
CCO/C=C(\C)C#N	95764157	JFBHVVYTNQTFOR-AATRIKPKSA-N	111.144	1.450	50	30	ADGC	
O=C(CCl)C1=C(O)CCCC1=O	39055064	SRBOYJDPLNCNSM-UHFFFAOYSA-N	188.610	1.359	50	30	ADGC	
C[C@H](Cl)C(=O)[C@@H]1CCC=CC1=O	39055096	WXVWCAJUSWMMQE-NKWVEPMBSA-N	186.638	1.718	50	30	ADGC	
Cc1cc(CCl)c(C)nn1	104726749	BBQYQRZGFCYQOY-UHFFFAOYSA-N	156.616	1.832	50	30	ADGC	
C[N@@+]1(CCCl)CCCO1	255998677	RCIREBHCXAIKEN-QMMMGPOBSA-N	150.629	1.007	50	30	ADGC	
COC[C@H](C)CBr	83155437	HUMUEIKGCRJPBP-RXMQYKEDSA-N	167.046	1.664	50	30	ADGC	
C#CCC(C)(C)C(=O)Cl	96034627	RBNNFEXMRCJUNW-UHFFFAOYSA-N	144.601	1.801	50	30	ADGC	in-vitro
BrCc1cnns1	83592791	YUNNGPOAKVLWNC-UHFFFAOYSA-N	179.042	1.433	50	30	ADGC	
C/C=C(\C=O)N1CCCCC1	100242101	QATJQKZNFROBDS-XNWCZRBMSA-N	153.225	1.575	50	30	ADGC	
BrC[C@H]1C[C@@H]2O[C@@H]2C1	521399272	YXLRVVOMQKLKPQ-STNDOWJSSA-N	177.041	1.559	50	30	ADGC	in-vitro
C#C[C@@H]1OCCC[C@H]1Br	37632114	LELAMTWYZQJKRH-RQJHMYQMSA-N	189.052	1.562	50	30	ADGC	
O=C(Cl)N1C[C@H]2C[C@H]2C1	82408989	UGKOYSCMKVHANS-SYDPRGILSA-N	145.589	1.297	50	30	ADGC	
C=C(C#N)C(F)F	218462933	OHJXKDBCONOHMS-UHFFFAOYSA-N	103.071	1.331	50	30	ADGC	
CC(=O)SCC(=O)Cl	5438338	CDVXHLKKIJCRHD-UHFFFAOYSA-N	152.602	1.032	50	30	ADGC	
C[C@H](Cl)c1nncn1C	238854977	PZVCCGBACZMLEQ-BYPYZUCNSA-N	145.593	1.115	50	30	ADGC	in-vitro
Cc1nc(CCCl)no1	39245713	YZNZCGDKGUEMEG-UHFFFAOYSA-N	146.577	1.159	50	30	ADGC	
C[C@H](NC=C(C#N)C#N)C(C)(C)C	4301791	WLHOAGSNPFAMCB-QMMMGPOBSA-N	177.251	1.942	50	30	ADGC	
COCC[C@@H](Cl)C(C)=O	39125467	ASJHGPGWQWEPAT-ZCFIWIBFSA-N	150.605	1.219	50	30	ADGC	
CC[C@H](C)[C@@H](Cl)CO	32301869	LAEZQMVVQHICOO-WDSKDSINSA-N	136.622	1.632	50	30	ADGC	
Cc1cnccc1C(=O)Cl	39056056	KSDVVNBPDOBZTI-UHFFFAOYSA-N	155.584	1.769	50	30	ADGC	in-vitro
COC(=O)c1nc(CCl)co1	95764152	YANVJEPYGCKQRF-UHFFFAOYSA-N	175.571	1.200	50	30	ADGC	
CC(C)(C)S(=O)(=O)CCl	4798091	TUCJVIHBZWDFJZ-UHFFFAOYSA-N	170.661	1.396	50	30	ADGC	in-vitro
O=C(CBr)c1ccno1	39055044	GRWPKLYXGZKGCR-UHFFFAOYSA-N	189.996	1.252	50	30	ADGC	
CCCC(=O)OCBr	138986664	KSBKJOHUPSXBMP-UHFFFAOYSA-N	181.029	1.682	50	30	ADGC	
N#CC(N)=C(Cl)Cl	104569273	ZNXSUWSNVODENE-UHFFFAOYSA-N	136.969	1.115	50	30	ADGC	
C[C@H](Cl)CC#N	6020349	USFXKDONTUYBAU-BYPYZUCNSA-N	103.552	1.527	50	30	ADGC	
CC[C@H](CBr)OC	32161660	ZDWMGSKUKFNYCX-RXMQYKEDSA-N	167.046	1.806	50	30	ADGC	
CC(=O)[C@H](Cl)CF	39068155	AGRXPLJUPXGFOT-SCSAIBSYSA-N	124.542	1.152	50	30	ADGC	
CC(=O)Nc1cc(CCl)ccn1	39125983	JZUFFJBSWCWJNX-UHFFFAOYSA-N	184.626	1.779	50	30	ADGC	
BrC[C@@H]1CSCCO1	253185990	QTQCKSBURQIQBB-RXMQYKEDSA-N	197.097	1.513	50	30	ADGC	
O=C(Cl)c1cc([N+](=O)[O-])ccn1	39056754	KXVRYVUBBIMNHH-UHFFFAOYSA-N	186.554	1.369	50	30	ADGC	
[C-]#[N+]CCC(=O)OC(C)(C)C	95686712	KGVVZBHXRXWANI-UHFFFAOYSA-N	155.197	1.637	50	30	ADGC	
Cc1nccnc1CBr	98179503	KNPMEBTWSKNJRF-UHFFFAOYSA-N	187.040	1.680	50	30	ADGC	
C[C@@H](Cl)c1nnc(N(C)C)o1	235143772	RPTOSJIRAVHACO-SCSAIBSYSA-N	175.619	1.435	50	30	ADGC	
BrCC[C@H]1CCCN1	237982950	MNOWGEWUJIFQAN-ZCFIWIBFSA-N	178.073	1.523	50	30	ADGC	
C[C@@H](Cl)c1nncn1C	238854978	PZVCCGBACZMLEQ-SCSAIBSYSA-N	145.593	1.115	50	30	ADGC	in-vitro
CC(=NNC(N)=O)c1ccccc1	253475982	CPXYGYOMIMOSCX-UHFFFAOYSA-N	177.207	1.079	50	30	ADGC	
C=CCCCN(N=O)C(=O)OC	45823848	QENDPJGTPMJLLE-UHFFFAOYSA-N	172.184	1.702	50	30	ADGC	
COC(=O)NN=C(C)c1ccco1	254293615	YLPMLUUFQYIBIQ-UHFFFAOYSA-N	182.179	1.360	50	30	ADGC	
CO[C@H](C)[C@H](C)Br	33952672	MNFFVQPIBJUTHA-CRCLSJGQSA-N	167.046	1.805	50	30	ADGC	
C[C@H](O)[C@@H](C)Br	39238140	JCYSVJNMXBWPHS-DMTCNVIQSA-N	153.019	1.151	50	30	ADGC	
CP(C)F	111342818	LEGMSOILNHRRRA-UHFFFAOYSA-N	80.042	1.612	50	30	ADGC	
ClCO[C@@H]1CCCOC1	306173020	SZXKOJHBYAVSNO-ZCFIWIBFSA-N	150.605	1.378	50	30	ADGC	
C=CCN(CC=C)C(=O)[C@@H](C)Cl	19518295	MDULRZHSTPYALN-MRVPVSSYSA-N	187.670	1.814	50	30	ADGC	in-vitro
CCn1cccc1C(=O)CCl	39054873	FDKVYMNCKXQSEI-UHFFFAOYSA-N	171.627	1.930	50	30	ADGC	
C[C@@H]1C[C@H]1Br	113240263	GASITZKLSRHTRE-QWWZWVQMSA-N	135.004	1.790	50	30	ADGC	
COCC#CCBr	113972885	AQSXUCPRSCGUII-UHFFFAOYSA-N	163.014	1.031	50	30	ADGC	
Cc1c[nH]nc1CCl	143331000	IBWOHCPTIJSJDW-UHFFFAOYSA-N	130.578	1.457	50	30	ADGC	
O[C@@H]1CCCC[C@@H]1CBr	196208136	FOOFFSRIPHRYFO-RNFRBKRXSA-N	193.084	1.932	50	30	ADGC	
BrC[C@H]1C=CC1	237985621	MUQZNJRWIDZPDM-YFKPBYRVSA-N	147.015	1.957	50	30	ADGC	
O=C=N[C@@H]1Cc2ccccc2O1	19428274	HIEYGYKJZWUNFC-VIFPVBQESA-N	161.160	1.283	50	30	ADGC	
C[C@@]1(C(=O)Cl)C[C@@H]1Cl	39056043	CWGMHTUESZWIPO-WVZVXSGGSA-N	153.008	1.769	50	30	ADGC	
C=C[C@@H](C)N=C=S	138949493	BZLACDYSFVHYEZ-RXMQYKEDSA-N	113.185	1.664	50	30	ADGC	
C=C(C=O)c1ccccc1	2040459	ZFBRJUBOJXNIQM-UHFFFAOYSA-N	132.162	1.899	50	30	ADGC	world
BrCCc1cn[nH]c1	95942495	JYBYTUYNMSBOFY-UHFFFAOYSA-N	175.029	1.347	50	30	ADGC	
O=C(CBr)CCCCl	137825806	VQIPXTITGUAIBB-UHFFFAOYSA-N	199.475	1.969	50	30	ADGC	
Cc1ccnn1CCBr	70685198	LDHHPLBQKWBUEV-UHFFFAOYSA-N	189.056	1.586	50	30	ADGC	in-vitro
Cc1ccc(NC(=O)NN)c(Cl)c1	34977863	RMPIMJYMEXOVAF-UHFFFAOYSA-N	199.641	1.644	50	30	ADGC	in-vitro
C[C@@H](Br)CCCO	38338468	DIZWQJCOIVIQBG-RXMQYKEDSA-N	167.046	1.542	50	30	ADGC	
O[C@H](CCl)CCCCl	100466632	MRPDYJBRFDKZCP-YFKPBYRVSA-N	157.040	1.605	50	30	ADGC	
C[Si](C)(N=C=S)N=C=S	195765684	WCCKEPKWCKHBLU-UHFFFAOYSA-N	174.326	1.894	50	30	ADGC	
C[C@@]12C=CCC[C@H]1C(=O)OC2=O	100109000	CSHJJWDAZSZQBT-IMTBSYHQSA-N	166.176	1.042	50	30	ADGC	
N[C@H]1C[C@H](CBr)C1	667359367	HFJYIBSNZVHJEZ-URHBZAFASA-N	164.046	1.119	50	30	ADGC	
CCOC(=O)C1CC(Cl)C1	83428719	QOOULTXEABVAPY-UHFFFAOYSA-N	162.616	1.567	50	30	ADGC	
CC[C@H](Br)COC	32161676	MPXVTXBMYIRQGB-YFKPBYRVSA-N	167.046	1.806	50	30	ADGC	
CCSCC(=O)CCl	39125586	MTVLNSRKPJFGOM-UHFFFAOYSA-N	152.646	1.547	50	30	ADGC	
CC(C)(CCl)N=C=O	104723605	PGYDISKBIVRYOH-UHFFFAOYSA-N	133.578	1.340	50	30	ADGC	
O=C1CC[C@H](Cl)C[C@@H]1Cl	141981833	RYWOZNGENNUQOQ-WHFBIAKZSA-N	167.035	1.954	50	30	ADGC	
C[C@H](Br)[C@@H]1CO1	38888589	YXGBQJQAKULVEL-IMJSIDKUSA-N	151.003	1.169	50	30	ADGC	
CCCC(=O)[C@H](Cl)C(=O)OCC	117530830	ZGDSIUBFOLFVBP-ZETCQYMHSA-N	192.642	1.526	50	30	ADGC	
C[C@@H](Br)[C@H]1CO1	38888594	YXGBQJQAKULVEL-QWWZWVQMSA-N	151.003	1.169	50	30	ADGC	
C[C@@H]1CO[C@@H](CCCl)O1	6031299	LMKBJXAPLYHFGC-PHDIDXHHSA-N	150.605	1.377	50	30	ADGC	
CC[C@@H](C)C(=O)CBr	39233785	PNYNRQLIDYPZBP-RXMQYKEDSA-N	179.057	1.997	50	30	ADGC	
COC(=O)c1ncccc1N=C=S	203127452	KEDYZDAIAWNOJG-UHFFFAOYSA-N	194.215	1.603	50	30	ADGC	
COCc1nnc(CCl)s1	84096316	MSCJDTPFBIAJQR-UHFFFAOYSA-N	178.644	1.423	50	30	ADGC	
CCOC(=O)[C@H]1C[C@H]1Br	98178250	SAZVRBIIIQJYQT-CRCLSJGQSA-N	193.040	1.333	50	30	ADGC	
[C-]#[N+]CCN1CCCC[C@@H]1C	100250155	GUPZNQQKLOVMSL-VIFPVBQESA-N	152.241	1.780	50	30	ADGC	
CC(C)OCCC(=O)Cl	96300506	QKOOBPCFTVGNFP-UHFFFAOYSA-N	150.605	1.567	50	30	ADGC	in-vitro
O=C(Cl)NC1CC1	90476864	IPESDCXPCKZBKR-UHFFFAOYSA-N	119.551	1.097	50	30	ADGC	
COc1ccc(C)c(N=C=O)c1	238362693	SXRAQDKTTKBZEV-UHFFFAOYSA-N	163.176	1.971	50	30	ADGC	
C=CCCCN=C=O	96034424	PYHHTRXGWNQGSN-UHFFFAOYSA-N	111.144	1.288	50	30	ADGC	
CCC/C=N/NC(=O)C1CC1	5455110	LBAQNCSDZJDYNB-RMKNXTFCSA-N	154.213	1.299	50	30	ADGC	
BrC[C@H]1CCOCO1	95348075	DRYWJFPCWJYCEW-RXMQYKEDSA-N	181.029	1.144	50	30	ADGC	in-vitro
C=C(F)CI	136139044	IEOCBGRKOZRONB-UHFFFAOYSA-N	185.967	1.905	50	30	ADGC	
BrCCCN1CCC1	199542830	TYNVNNDTDRXKRL-UHFFFAOYSA-N	178.073	1.477	50	30	ADGC	
CC(C)(O)[C@@H]1C[C@H]1Br	238186451	DMZSQXLWJAJGED-RFZPGFLSSA-N	179.057	1.541	50	30	ADGC	
O=C1[C@H]2C[C@@H]3C[C@H]1[C@@H](Cl)[C@H](C2)C3=O	2265328760	HZNSXYKPDJQTFF-BJNUKLAGSA-N	198.649	1.408	50	30	ADGC	
CC(C)OC(=O)N(CCCl)N=O	33640892	AITNITBYOVVTSJ-UHFFFAOYSA-N	194.618	1.754	50	30	ADGC	
CO[C@@H]1OCC[C@H]1Br	107127855	UBRMGPARIMCLFC-RFZPGFLSSA-N	181.029	1.143	50	30	ADGC	
N#CC(C#N)=CNc1ccccc1N	150963	UVHWYOSVORAKLA-UHFFFAOYSA-N	184.202	1.612	50	30	ADGC	
CCn1ccnc1CBr	88107875	FQJXZPYOYUMSJD-UHFFFAOYSA-N	189.056	1.798	50	30	ADGC	
C=C[Si](C)(C)OC(=O)CC	195758671	PCZLPMMBDUIBQW-UHFFFAOYSA-N	158.273	1.870	50	30	ADGC	
BrCC1[C@H]2COC[C@H]12	307071120	FZYAMPNKYDQDLQ-PHDIDXHHSA-N	177.041	1.274	50	30	ADGC	
CC[C@@H](C)C(=O)CCl	39233787	ARWXDFAVJKUFQP-RXMQYKEDSA-N	134.606	1.840	50	30	ADGC	in-vitro
Br[C@@H]1CCCCO1	39386601	WSVBQUZNVUWORE-YFKPBYRVSA-N	165.030	1.908	50	30	ADGC	
CC(C)[C@@H]1c2cccc(C(=O)NN)c21	223579047	PTEOGTPEWRCWOD-SECBINFHSA-N	190.246	1.391	50	30	ADGC	
CC(C)Cn1ncnc1CCl	83976980	OMXUSSPMGKOBBC-UHFFFAOYSA-N	173.647	1.673	50	30	ADGC	in-vitro
O=C1CC[C@H](Br)O1	3604138	SRXYQTZEGZGPCA-GSVOUGTGSA-N	164.986	1.044	50	30	ADGC	
COc1cccc(C)c1N=C=O	39089499	ODWZRDBUYGLZTO-UHFFFAOYSA-N	163.176	1.971	50	30	ADGC	
COC[C@H](C)OC(=O)Cl	39592439	ZMNJVBZJWSGGMG-BYPYZUCNSA-N	152.577	1.397	50	30	ADGC	in-vitro
OC1(CBr)CCC1	197476973	SVGOIPSCCKVQBW-UHFFFAOYSA-N	165.030	1.296	50	30	ADGC	in-vitro
N/C(=N\C(=O)CCl)c1ccccc1	15767349	XYQJMDCZMJQFKA-UHFFFAOYSA-N	196.637	1.157	50	30	ADGC	
Cc1noc(CN=C=O)c1C	39112863	MOLCFRIDADMWGR-UHFFFAOYSA-N	152.153	1.127	50	30	ADGC	
COC(=O)c1nc(CCl)oc1C	196143397	KNLIHCMBKFKMBO-UHFFFAOYSA-N	189.598	1.508	50	30	ADGC	
CC[C@@H](C)[C@H](Cl)CO	39342944	LAEZQMVVQHICOO-PHDIDXHHSA-N	136.622	1.632	50	30	ADGC	
FC(F)c1nnc(CCl)o1	36949298	VLZBRJVCZXWMIR-UHFFFAOYSA-N	168.530	1.746	50	30	ADGC	
[C-]#[N+]CC(C)(OCC)OCC	2265384991	NZBQJSYHIVRJRX-UHFFFAOYSA-N	157.213	1.695	50	30	ADGC	
N#CC(C#N)=CNc1ccccn1	136835	MNSWGWBZLMAZTI-UHFFFAOYSA-N	170.175	1.425	50	30	ADGC	
CC(C)C(=O)N(C)CCl	104731179	JUTFCUYCYHKEHX-UHFFFAOYSA-N	149.621	1.297	50	30	ADGC	
Nc1ccccc1C(=O)NCCCl	33608469	YRIMPZJCTLXZAA-UHFFFAOYSA-N	198.653	1.237	50	30	ADGC	
CCOC(=O)N(CC)N=O	4536311	RAUQLNDTFONODT-UHFFFAOYSA-N	146.146	1.146	50	30	ADGC	
CC(=O)[C@@H](Cl)CCCC(=O)O	39128396	WESSDJNCWDFINL-LURJTMIESA-N	178.615	1.438	50	30	ADGC	
[C-]#[N+]C[C@H]1COC(C)(C)O1	95686692	DGABYTZNVOAQDW-LURJTMIESA-N	141.170	1.057	50	30	ADGC	
CCC(C)(C)N=C=O	34369602	XTCXPTOMXXOPLA-UHFFFAOYSA-N	113.160	1.511	50	30	ADGC	
O=C(Cl)c1ccns1	39056008	SPSLWGCXWCZPOY-UHFFFAOYSA-N	147.586	1.522	50	30	ADGC	
Cc1csc(/C=C/C=O)n1	39134811	PGGKNMNCWJHJCY-NSCUHMNNSA-N	153.206	1.664	50	30	ADGC	
N#C[C@@H](O)/C=C/c1ccccc1	100468833	FJMOXBHYSJFRPZ-FGEFZZPRSA-N	159.188	1.584	50	30	ADGC	
C1=CSSO1	32163280	JBPWRHDFVVEDTJ-UHFFFAOYSA-N	106.171	1.784	50	30	ADGC	
ClCCCc1nnco1	50284425	UZPMDURBLPFQGG-UHFFFAOYSA-N	146.577	1.241	50	30	ADGC	
COCCCSCCl	98209907	GHNFDSVSUOZHHT-UHFFFAOYSA-N	154.662	1.952	50	30	ADGC	
CO[C@H]1CCC[C@H](C(=O)Cl)C1	2574134	JOZLFZQRVYHFFA-BQBZGAKWSA-N	176.643	1.957	50	30	ADGC	in-vitro
Fc1ccnc(CCl)c1	95642405	FFEPTXWHGIRHKJ-UHFFFAOYSA-N	145.564	1.960	50	30	ADGC	
O=C(Cl)NCC1CC1	104710878	BRDSJJRTFLIQKW-UHFFFAOYSA-N	133.578	1.345	50	30	ADGC	
ClCc1cnc(CCl)cn1	137792528	OUIUTOQNQNHRKC-UHFFFAOYSA-N	177.034	1.954	50	30	ADGC	
C#CCCCOC(=O)Cl	205077730	RDTJQRVLNZOHEL-UHFFFAOYSA-N	146.573	1.775	50	30	ADGC	
N[C@@H](C(=O)O)c1ccc(CCl)cc1	138281067	DYDURQGGFUSTQY-MRVPVSSYSA-N	199.637	1.510	50	30	ADGC	
CN(CC(C)(F)F)C(=O)Cl	693755942	SFSUBCXOJPWXOB-UHFFFAOYSA-N	171.574	1.932	50	30	ADGC	
C[C@@H](Cl)C(=O)n1cccn1	39054744	WJFVGVYQKMGQAQ-RXMQYKEDSA-N	158.588	1.151	50	30	ADGC	
O=C(OCCl)C1CC1	88189731	IXIYAEZKKVCJFK-UHFFFAOYSA-N	134.562	1.136	50	30	ADGC	
O=C(CCl)c1cc[nH]c1	45787405	HBJZSXDARRKBMC-UHFFFAOYSA-N	143.573	1.436	50	30	ADGC	in-vitro
CO[C@@H]1CC[C@H]1Br	724137385	IBHWRQVPBLZGPV-RFZPGFLSSA-N	165.030	1.559	50	30	ADGC	
CO[C@@H](C)[C@H](C)Br	33952673	MNFFVQPIBJUTHA-WHFBIAKZSA-N	167.046	1.805	50	30	ADGC	
O=C(Cl)[C@@H](Cl)C(=O)CCl	111896749	FLQXWQNUQVUSNB-VKHMYHEASA-N	189.425	1.167	50	30	ADGC	
ClCOC[C@H]1CCCO1	78750373	XLFRYXYFCITFGX-ZCFIWIBFSA-N	150.605	1.378	50	30	ADGC	
OC1(CCBr)CC1	34545719	BROSMYXVSSCLGP-UHFFFAOYSA-N	165.030	1.296	50	30	ADGC	
C=C(C)OC(=O)Cl	2384739	AMMGCGVWJMRTQI-UHFFFAOYSA-N	120.535	1.895	50	30	ADGC	in-vitro
ClCCC[C@@H]1CO1	5192194	LSOXTBBDZHIHDE-RXMQYKEDSA-N	120.579	1.404	50	30	ADGC	
ClC[C@H]1CCCOC1	14987965	WLUAIDDBBCAIDY-ZCFIWIBFSA-N	134.606	1.652	50	30	ADGC	
N[C@H](C(=O)Cl)c1ccc(O)cc1	33506758	YLHCHEBQIHXSIW-ZETCQYMHSA-N	185.610	1.157	50	30	ADGC	
CC(=O)[C@@H](Cl)C(C)C	36455703	OLBUMMGFVTVKFF-LURJTMIESA-N	134.606	1.839	50	30	ADGC	
O=C1CCN(C(=O)Cl)CC1	36466342	RGTHYSAQQJPLTA-UHFFFAOYSA-N	161.588	1.010	50	30	ADGC	
O=C(Cl)N1C[C@@H]2C[C@H]2C1	105726385	UGKOYSCMKVHANS-WHFBIAKZSA-N	145.589	1.297	50	30	ADGC	
CC(C)=C[C@@H]1CC(=O)OC1=O	113272847	FWAVAVCRVWBJRP-ZCFIWIBFSA-N	154.165	1.042	50	30	ADGC	
ClC[C@@H]1COC2(CCOCC2)O1	134973317	XOEVLUURQNKVCN-SSDOTTSWSA-N	192.642	1.147	50	30	ADGC	
C=C(C#N)C(=O)OC1CCCCC1	5192467	ILRMPAUJTPZAIQ-UHFFFAOYSA-N	179.219	1.942	50	30	ADGC	
O=C(Cl)[C@H]1C[C@H]2CC[C@H]1O2	219770813	JJGKKDICTIBBCW-NGJCXOISSA-N	160.600	1.319	50	30	ADGC	
CC1(C)C[C@@H](C(=O)Cl)CO1	39056257	SZZJVJDJJYGTAE-RXMQYKEDSA-N	162.616	1.567	50	30	ADGC	
O=CC1=C(Cl)[C@H](C=O)CCC1	75563129	LRJWYIUXHTVYCT-LURJTMIESA-N	172.611	1.677	50	30	ADGC	
N#C[C@@H](O)C(F)(F)c1ccccc1	137515838	IPDOYORDOKWYNV-MRVPVSSYSA-N	183.157	1.663	50	30	ADGC	
CCC1C[C@@H]2C(=O)OC(=O)[C@H]2C1	306585492	KFBVRXMOWPMGTH-BQBZGAKWSA-N	168.192	1.122	50	30	ADGC	
ClCc1ccc2[nH]ncc2n1	85210517	TUCUWQBDHQKCKD-UHFFFAOYSA-N	167.599	1.697	50	30	ADGC	in-vitro
C/C=C(\C)C#COO	100062205	CVUVXIOXYLPEGY-ZZXKWVIFSA-N	112.128	1.403	50	30	ADGC	
C=CCOCCN=C=S	307610393	HKQKPICXKGHSPC-UHFFFAOYSA-N	143.211	1.292	50	30	ADGC	
O=C(Cl)C1CC(Cl)C1	39056060	KUUURPZQDCCCKB-UHFFFAOYSA-N	153.008	1.769	50	30	ADGC	in-vitro
C[C@H]1CN(C(=O)Cl)CCO1	86889700	RYAYGDDXNUGATM-YFKPBYRVSA-N	163.604	1.066	50	30	ADGC	
C[C@H](CCCBr)C(=O)O	113559495	GDYGMDZCBUYAIK-RXMQYKEDSA-N	195.056	1.882	50	30	ADGC	
Br[C@@H]1CCC[C@@H]2O[C@@H]21	33645325	VCXQSVOFNLPVQU-NGJCXOISSA-N	177.041	1.701	50	30	ADGC	
Cc1cc(N=C=O)ccc1C#N	146025337	NPEYQFRHWIJYSO-UHFFFAOYSA-N	158.160	1.834	50	30	ADGC	
Cl[C@@H]1CCCO1	5134654	ZVAKZVDJIUFFFP-BYPYZUCNSA-N	106.552	1.362	50	30	ADGC	
C=CCCC(=O)CBr	39168481	SICVUWZDYJMQCT-UHFFFAOYSA-N	177.041	1.917	50	30	ADGC	in-vitro
ClCC12CCN(CC1)CC2	88189726	PXFIDFXVRYOBFQ-UHFFFAOYSA-N	159.660	1.711	50	30	ADGC	
COC(=O)C[C@@H](Cl)CF	2034854	XVXXASQNBGWQHF-SCSAIBSYSA-N	154.568	1.126	50	30	ADGC	
CC(=O)[C@]1(C)CCCC=C1C=O	39072026	IQMJGTWZHWFZHD-JTQLQIEISA-N	166.220	1.891	50	30	ADGC	
C/C(C#N)=C\Cl	75517333	SRNADAWHRWZEFE-DUXPYHPUSA-N	101.536	1.653	50	30	ADGC	
O=C=NCCCOCc1ccccc1	259730409	MMPXNJYHPWNPCM-UHFFFAOYSA-N	191.230	1.929	50	30	ADGC	
O=C1CCCN(C(=O)Cl)C1	2241669339	IICZJSUZXLJWQX-UHFFFAOYSA-N	161.588	1.010	50	30	ADGC	
CCOC(=O)N/N=C1\CCSC1	204991035	NREZVNNRLVYGKP-SOFGYWHQSA-N	188.252	1.225	50	30	ADGC	
N#CC(C#N)=CN[C@@H]1CCSC1	20421218	UUGGKRUXMQCBPH-MRVPVSSYSA-N	179.248	1.013	50	30	ADGC	
COc1ccc(N=C=O)c(C#N)c1	238369037	LMESITBFEPQVCC-UHFFFAOYSA-N	174.159	1.534	50	30	ADGC	
CC1=CCN(C(=O)[C@@H](C)Cl)CC1	39055119	DPAUZDMKVYXFLY-MRVPVSSYSA-N	187.670	1.792	50	30	ADGC	
C[C@H]1[C@@H](C(=O)Cl)C1(F)F	39056013	KRAJVHNJWYGQPH-HRFVKAFMSA-N	154.543	1.653	50	30	ADGC	
F[C@@H](CCl)CBr	100358998	FUJNUMBHVIGAIS-GSVOUGTGSA-N	175.428	1.958	50	30	ADGC	
CC(=O)/C(C#N)=C/c1ccoc1	173063	MFTIVJXXLJYRAS-RUDMXATFSA-N	161.160	1.776	50	30	ADGC	
CCn1cc(CBr)cn1	88108021	SUKKPHVSKOPBOH-UHFFFAOYSA-N	189.056	1.798	50	30	ADGC	
CC(=O)[C@@H](Cl)C(=O)C(C)C	113989987	KYENGNWJVSTALZ-ZCFIWIBFSA-N	162.616	1.408	50	30	ADGC	
CN1CC[C@@H](CCCl)OC1=O	147149090	FADOXHFBIDUDJC-ZCFIWIBFSA-N	177.631	1.456	50	30	ADGC	
COC(F)(F)[C@H](F)Br	2031456	YOQYDUAUSFAUER-REOHCLBHSA-N	192.962	1.916	50	30	ADGC	in-man
COC(=O)C(C#N)=C1CCCCC1	21991147	NXQPZYVPULDWJG-UHFFFAOYSA-N	179.219	1.944	50	30	ADGC	
Cc1cc(CCCCl)[nH]n1	39134042	BMOUNOMPFWIVMP-UHFFFAOYSA-N	158.632	1.890	50	30	ADGC	
BrC[C@@H]1CCOCO1	95348074	DRYWJFPCWJYCEW-YFKPBYRVSA-N	181.029	1.144	50	30	ADGC	in-vitro
BrCCOCC1CC1	19870780	NUCYWTUUCLZIPH-UHFFFAOYSA-N	179.057	1.808	50	30	ADGC	in-vitro
COCc1ocnc1CCl	85943033	BSDDMGIIEBAFTA-UHFFFAOYSA-N	161.588	1.560	50	30	ADGC	
COCCO[Si](C)(C)C	195767097	HRDKXAGASFLTCG-UHFFFAOYSA-N	148.278	1.484	50	30	ADGC	
CC1(C)C[C@H]1N=C=O	62822188	QRWYCQPBTMPGRL-RXMQYKEDSA-N	111.144	1.121	50	30	ADGC	in-vitro
CC(=O)CC[C@@H](C)Cl	38301407	FITVUNRTODZJID-RXMQYKEDSA-N	134.606	1.983	50	30	ADGC	
CCCC(=O)CC(=O)CCl	39125749	DDOQAONIDMZOIL-UHFFFAOYSA-N	162.616	1.554	50	30	ADGC	
BrCC[C@H]1CCCO1	83524192	GJDABTPRDFGPCR-ZCFIWIBFSA-N	179.057	1.950	50	30	ADGC	in-vitro
C/C(CC(C)(C)C)=N\NC(N)=O	4321952	DJTISLWAAYFWKF-UXBLZVDNSA-N	171.244	1.467	50	30	ADGC	
S=C=NCC1CCOCC1	82544847	YPVQVSPWOHIJEZ-UHFFFAOYSA-N	157.238	1.516	50	30	ADGC	
N[C@H](C(=O)Cl)C1=CCC=CC1	33986242	DQHZQFDDGPDMJT-ZETCQYMHSA-N	171.627	1.356	50	30	ADGC	
COc1cc(OC)cc([C@H](O)C#N)c1	59261464	ZWGBEAKJEFVQPW-SNVBAGLBSA-N	193.202	1.261	50	30	ADGC	in-vitro
COc1ccnc(O[Si](C)(C)C)n1	197991231	PALVUDMDPMZNNK-UHFFFAOYSA-N	198.298	1.699	50	30	ADGC	
CCCC(=O)OO[C@H](O)CCC	100114440	RBOSMZZETFYODM-ZETCQYMHSA-N	176.212	1.380	50	30	ADGC	
CN(C)c1ccc(C(=O)Cl)cn1	39056665	MJUFMRGUYNTDKX-UHFFFAOYSA-N	184.626	1.527	50	30	ADGC	
ClCC#CCO[C@H]1CCCCO1	32229679	ISIPNGZFZUMSKA-VIFPVBQESA-N	188.654	1.772	50	30	ADGC	
COCCSCCl	98209891	QUCXPEZXBJBDOC-UHFFFAOYSA-N	140.635	1.562	50	30	ADGC	
C[C@@H]1CC(CCl)=NO1	104688011	CQVCZCBMDJDEIS-SCSAIBSYSA-N	133.578	1.390	50	30	ADGC	
O=C(O)[C@@H]1CCC[C@@H](Cl)C1	39374618	VORTYYQNYKCRCZ-PHDIDXHHSA-N	162.616	1.869	50	30	ADGC	
CO[C@@H](C)CCBr	39424667	WZWJYFKJSMJHDO-YFKPBYRVSA-N	167.046	1.806	50	30	ADGC	
[C-]#[N+]CC(OC)(OC)C1CC1	2265385288	CXNGBYZANLJGOT-UHFFFAOYSA-N	155.197	1.305	50	30	ADGC	
CO[C@H]1C=CC[C@@H]1Br	39090007	YDGCHIHYOQSJBH-WDSKDSINSA-N	177.041	1.725	50	30	ADGC	
CC[C@H](CCl)NC(C)=O	39296060	HLJVYVLNPUSFJD-ZCFIWIBFSA-N	149.621	1.140	50	30	ADGC	
ClCC#Cc1ccns1	306800965	PZQSSYKQPIBEER-UHFFFAOYSA-N	157.625	1.733	50	30	ADGC	
CO[C@@H](C)CCOC(=O)CCCl	1711229	PUBWRORXIWRYBK-ZETCQYMHSA-N	194.658	1.584	50	30	ADGC	
N[C@@H]1CCCC[C@@H]1Br	33889680	AQBYKNASJVORLT-NTSWFWBYSA-N	178.073	1.651	50	30	ADGC	in-vitro
O=C(O)[C@H]1CCC[C@H](Cl)C1	39374619	VORTYYQNYKCRCZ-WDSKDSINSA-N	162.616	1.869	50	30	ADGC	
CC(C)O[C@](C)(O)CCl	145599381	RQNYEKBSIIQPRT-LURJTMIESA-N	152.621	1.359	50	30	ADGC	
C#C[C@@H]1[C@@H](C(=O)Cl)C1(C)C	39056051	ZKRWMMJEALQKHD-RITPCOANSA-N	156.612	1.657	50	30	ADGC	
C[C@@H](Br)CC1OCCO1	49811413	YBIWPLUCPRZQRM-RXMQYKEDSA-N	195.056	1.533	50	30	ADGC	
CC1=C(C(=O)Cl)CCO1	36404081	KWXMKWHPJWWDJB-UHFFFAOYSA-N	146.573	1.446	50	30	ADGC	
COC1(C(=O)Cl)CCCC1	39056227	YFPDQXCJYIMBTD-UHFFFAOYSA-N	162.616	1.711	50	30	ADGC	in-vitro
CC[C@H]1C[C@@H](Br)C(=O)O1	114964941	LGWUAVWPMYBCTB-CRCLSJGQSA-N	193.040	1.475	50	30	ADGC	
CCn1ncc(CCl)n1	117872232	NQXHVKAOXQDBKB-UHFFFAOYSA-N	145.593	1.037	50	30	ADGC	in-vitro
CO[C@@H]1C(C)=CN=C(CCl)N1C	223708317	CTZRDIRKFCSHFF-MRVPVSSYSA-N	188.658	1.445	50	30	ADGC	
CC[C@@H](Cl)C(C)=O	5924268	CKSIBFLEDRJUTN-RXMQYKEDSA-N	120.579	1.593	50	30	ADGC	
CC(C)=C1/C(=C\C#N)C=C[C@H]1O	100265981	FEVIWRWYYIQTHA-BZJXQOFCSA-N	161.204	1.703	50	30	ADGC	
O[C@H]1CCC[C@@H](CCl)C1	104720671	CNBXMNAOXSVAFB-RQJHMYQMSA-N	148.633	1.776	50	30	ADGC	in-vitro
FC(F)COCCl	130609378	LXGKGDPFNFCMFT-UHFFFAOYSA-N	130.521	1.464	50	30	ADGC	
C[C@]12CC=C[C@@H]1C(=O)[C@@H]2Cl	45820039	FUDLIEWCXYZDLR-DTLFHODZSA-N	156.612	1.759	50	30	ADGC	
N#C[C@H](O)c1cccc(Cl)c1	85546889	VITRCPVSCQOAFP-QMMMGPOBSA-N	167.595	1.897	50	30	ADGC	
BrCC12CCN(CC1)C2	685947089	IPTPLMOLPMPXKA-UHFFFAOYSA-N	190.084	1.477	50	30	ADGC	
O=C1C(=O)[C@H](Cl)CC[C@@H]1Cl	111889005	LVSHXWALSXQHOL-ZXZARUISSA-N	181.018	1.133	50	30	ADGC	
Cc1cc(N(C)C(=O)Cl)no1	2265385439	YCTQLWIRUDXNBT-UHFFFAOYSA-N	174.587	1.778	50	30	ADGC	
ClCc1nc2c(s1)COCC2	61803036	GNIGCJDBKCCTSO-UHFFFAOYSA-N	189.667	1.955	50	30	ADGC	in-vitro
COC[C@@H](CBr)OC	143178787	ZLALOAABONRSQH-RXMQYKEDSA-N	183.045	1.043	50	30	ADGC	
C[C@@H](Cc1ccccc1)N=C=O	19784181	JWGFMJHWOOMGMK-VIFPVBQESA-N	161.204	1.953	50	30	ADGC	in-vitro
Fc1ccncc1CCl	95761381	PSMWQFSAHIQJJY-UHFFFAOYSA-N	145.564	1.960	50	30	ADGC	
COC(C)(C)c1noc(CCl)n1	86070804	RZJDCSHBFYPUDE-UHFFFAOYSA-N	190.630	1.690	50	30	ADGC	
O=NN(CCCl)CCCl	5178726	VWQXNTZBSSUTAB-UHFFFAOYSA-N	171.027	1.447	50	30	ADGC	
COC(=O)CC[C@H](C)Br	44082572	PUULUFJRBAIMQE-YFKPBYRVSA-N	195.056	1.723	50	30	ADGC	
COC(=O)[C@@H]1[C@H](C(=O)Cl)C1(C)C	39056874	ONSOHWSBYGOQMM-UHNVWZDZSA-N	190.626	1.197	50	30	ADGC	
O=C=NCc1ccc(F)c(F)c1	62822189	DIZUMMHPEYKKJL-UHFFFAOYSA-N	169.130	1.801	50	30	ADGC	
CC(C)(C#N)OCCCl	104732519	PWIVSDCNDPIMPD-UHFFFAOYSA-N	147.605	1.544	50	30	ADGC	
CC(C)[C@@H](N)CBr	126125186	CVDJGITVFXNCOM-YFKPBYRVSA-N	166.062	1.365	50	30	ADGC	
COC(=O)[C@H]1[C@H](C(=O)Cl)C1(C)C	39056909	ONSOHWSBYGOQMM-RFZPGFLSSA-N	190.626	1.197	50	30	ADGC	
O=C=Nc1ccc2ncoc2c1	77261266	IDTYCGVPBHTJHU-UHFFFAOYSA-N	160.132	1.795	50	30	ADGC	
CCC(=O)OCCl	1680716	BTBBPNVBJSIADI-UHFFFAOYSA-N	122.551	1.136	50	30	ADGC	
O=C=Nc1c[nH]c2ncccc12	117458398	PGMDPZWKPHBWHN-UHFFFAOYSA-N	159.148	1.530	50	30	ADGC	
COc1cc(CCl)on1	34179350	MHRNHYKQFZPBLT-UHFFFAOYSA-N	147.561	1.422	50	30	ADGC	
C#Cc1cccc(N=C=O)c1	62822005	UXJAOAGHJAXHIO-UHFFFAOYSA-N	143.145	1.635	50	30	ADGC	
CCOC(=O)CC(F)(F)CCl	685945592	ZWTTYVQTFNGJQS-UHFFFAOYSA-N	186.585	1.814	50	30	ADGC	
O=C(O)c1ccc(C(=O)Cl)s1	39056890	YYOMGCWUCSHZEJ-UHFFFAOYSA-N	190.607	1.825	50	30	ADGC	
CCOC(=O)/C=C(/Cl)CCl	81215950	CRVDMXBBUDJVSL-HWKANZROSA-N	183.034	1.911	50	30	ADGC	
CC(C)CN(C)C(=O)Cl	86889753	BWOVQCBKUXJWNF-UHFFFAOYSA-N	149.621	1.933	50	30	ADGC	in-vitro
O=C(CCl)N[C@@H]1C[C@@H]2CC[C@H]1C2	100995093	ANWMKVWXYLYWNJ-GJMOJQLCSA-N	187.670	1.530	50	30	ADGC	
C[C@H](Cl)c1cccnn1	112968329	YALXXMNDTSBYRX-YFKPBYRVSA-N	142.589	1.776	50	30	ADGC	
NNC(=O)C12CCCC(CCC1)C2	136297	BDOHWWJFOJTQRK-UHFFFAOYSA-N	182.267	1.337	50	30	ADGC	
C=C(C#N)CBr	36447870	YSTRHMIYRJIYSV-UHFFFAOYSA-N	145.987	1.461	50	30	ADGC	in-vitro
Cn1cccc1CCCl	104718929	KRQKEWPDZAKGGL-UHFFFAOYSA-N	143.617	1.806	50	30	ADGC	
BrC#CCBr	135764873	DWKIXODUXSEILO-UHFFFAOYSA-N	197.857	1.737	50	30	ADGC	
NC1CCC(C(=O)Cl)CC1	39056169	APTWNBJOOHBJNZ-UHFFFAOYSA-N	161.632	1.269	50	30	ADGC	
BrCC[C@@H]1CCCO1	83524193	GJDABTPRDFGPCR-LURJTMIESA-N	179.057	1.950	50	30	ADGC	in-vitro
CC1=C(OC(C)C)[C@H](Cl)C1=O	135767773	SYGVFFMUAWQILL-ZCFIWIBFSA-N	174.627	1.876	50	30	ADGC	
O=C(O)C1(CCCCl)CC1	307669173	MQDFVEXJNQDBDH-UHFFFAOYSA-N	162.616	1.870	50	30	ADGC	
OCc1ccccc1CCl	39224327	YMBKVYRKYPKJSB-UHFFFAOYSA-N	156.612	1.918	50	30	ADGC	
CC1(C)OC[C@H](COC(=O)Cl)O1	59231773	XMNGTCORCFOQSP-YFKPBYRVSA-N	194.614	1.513	50	30	ADGC	
C[C@@H](Cl)c1csnn1	299805668	ZWXDOEAAEUGFEN-GSVOUGTGSA-N	148.618	1.838	50	30	ADGC	
CO[C@@H]1CC[C@H]1CBr	724136140	CWVKLAROGDXXDR-NTSWFWBYSA-N	179.057	1.806	50	30	ADGC	
CN(C)c1cc(CCl)ccn1	40885214	LEFNGSBLOOSIRC-UHFFFAOYSA-N	170.643	1.886	50	30	ADGC	in-vitro
O=C(Cl)CCC(=O)CCl	45820346	PDERGHFHIOCEML-UHFFFAOYSA-N	169.007	1.340	50	30	ADGC	
ClCCCOCCl	104580418	XWNGXPYKQXUGLF-UHFFFAOYSA-N	143.013	1.828	50	30	ADGC	
O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1Cl	39415650	LWHALVREUDNLSQ-BIIVOSGPSA-N	187.670	1.673	50	30	ADGC	
O=C1CC(CCCl)C1	104689530	VIZDQBULIFUQSB-UHFFFAOYSA-N	132.590	1.594	50	30	ADGC	
CC1(C)C(N=C=O)C1(C)C	85709850	ADBDLGGHWAIERP-UHFFFAOYSA-N	139.198	1.757	50	30	ADGC	
O=C(Cl)N1CCC(F)CC1	606248133	CRCWANXUYUKQSV-UHFFFAOYSA-N	165.595	1.779	50	30	ADGC	
OC1CCC(CCl)CC1	199240592	NYSWASAKJUIDPD-UHFFFAOYSA-N	148.633	1.776	50	30	ADGC	
CC(=O)c1ccc(C(=O)F)cc1	39056300	KWTZUUATDFNMLK-UHFFFAOYSA-N	166.151	1.999	50	30	ADGC	
CC(C)O[C@@](C)(O)CCl	145599623	RQNYEKBSIIQPRT-ZCFIWIBFSA-N	152.621	1.359	50	30	ADGC	
FC1(CBr)CC1	146780569	LQVPKSHJUGOHPN-UHFFFAOYSA-N	152.994	1.883	50	30	ADGC	
O=[S@@](Cl)CCCl	104719718	FKUBZQOURSEZDB-LURJTMIESA-N	147.026	1.128	50	30	ADGC	
O=C=Nc1ccoc1	19507274	ZICHEAWRQJUWKA-UHFFFAOYSA-N	109.084	1.247	50	30	ADGC	in-vitro
F[C@@H](CBr)[C@H]1CCOC1	258208736	XNXDHBSKQIUYQZ-WDSKDSINSA-N	197.047	1.756	50	30	ADGC	
C[Si](C)(CCl)CCCO	196138704	DGFRHWIVWJKUIJ-UHFFFAOYSA-N	166.724	1.855	50	30	ADGC	
C[C@H](Cl)[C@@H](Cl)C=O	1691499	KYBNZGCYBVOCEO-IMJSIDKUSA-N	140.997	1.420	50	30	ADGC	
CN1C2=CCCCC2=NC(C#N)=C1N	100284073	AZNQKKDEWNMWQZ-UHFFFAOYSA-N	188.234	1.092	50	30	ADGC	
CCc1nsc(CCl)n1	117859230	LSCOEUHXGIQTRT-UHFFFAOYSA-N	162.645	1.839	50	30	ADGC	
C/C=C/C=N/NC(=O)OCC	3083229	XPIJTQQWEOSKCI-QFXXITGJSA-N	156.185	1.294	50	30	ADGC	
ClCc1nncs1	138275849	VAJWZEFPPICGQF-UHFFFAOYSA-N	134.591	1.277	50	30	ADGC	in-vitro
C[C@@H]1CO[Si](C)(C)C1	195831624	FDTCKQAXTOUSOP-ZCFIWIBFSA-N	130.263	1.858	50	30	ADGC	
O=C1C=C[C@@H](Br)C1	38251094	JJVDZGGOHGKRER-SCSAIBSYSA-N	160.998	1.279	50	30	ADGC	
Br[C@H]1CCCOCC1	83426298	OQXUHHBEGCYJID-LURJTMIESA-N	179.057	1.950	50	30	ADGC	
N[P@]1(=O)OCCCN1CCCl	5134113	ROGLJLJCDSTWBN-NSHDSACASA-N	198.590	1.014	50	30	ADGC	endogenous,world
FC(F)Cn1ncnc1CCl	83998907	MGLXMUQXVAOVRM-UHFFFAOYSA-N	181.573	1.282	50	30	ADGC	in-vitro
CCOCC(C)(C)N=C=O	238261565	SMCVXFDAIHEVSG-UHFFFAOYSA-N	143.186	1.137	50	30	ADGC	
C=C[C@]1(C=O)CC=C(C=O)CC1	33605213	DMZMZBUQFDOHPN-JTQLQIEISA-N	164.204	1.667	50	30	ADGC	
CC[C@@H](COC)N=C=S	33608492	IVNMWEWWGCVXEY-LURJTMIESA-N	145.227	1.514	50	30	ADGC	
COc1cccc(F)c1N=C=O	75843799	BJBUBFCTLAOJNX-UHFFFAOYSA-N	167.139	1.802	50	30	ADGC	
Br[C@@H]1CCC[C@@H]2O[C@H]21	101152047	VCXQSVOFNLPVQU-SRQIZXRXSA-N	177.041	1.701	50	30	ADGC	
ClCCC[C@H]1CO1	5191918	LSOXTBBDZHIHDE-YFKPBYRVSA-N	120.579	1.404	50	30	ADGC	
COC(=O)[C@@H](Cl)CSC(C)=O	5639450	RSIHVSLHPYRNDL-YFKPBYRVSA-N	196.655	1.047	50	30	ADGC	
O=C1CC[C@H]2[C@H](Br)[C@@H]12	39111929	TWPLBGPKDJGAGB-PUFIMZNGSA-N	175.025	1.359	50	30	ADGC	
O=C(O)[C@@H]1CCC[C@H](Cl)C1	39374620	VORTYYQNYKCRCZ-RITPCOANSA-N	162.616	1.869	50	30	ADGC	
O=C=NC1CCSCC1	84324689	CHLFSORNTZBSON-UHFFFAOYSA-N	143.211	1.218	50	30	ADGC	
ClCC12CCCN1CCC2	34448621	VYIFNDQTQKCAKZ-UHFFFAOYSA-N	159.660	1.854	50	30	ADGC	
C=C(C)[C@@H](Cl)C(=O)OC	238799765	FZUVHZZZCYKCFI-RXMQYKEDSA-N	148.589	1.343	50	30	ADGC	
CN1CCC(CN=C=S)CC1	44518894	PQYUSMJAYCUFFR-UHFFFAOYSA-N	170.281	1.431	50	30	ADGC	in-vitro
CC1CN(C(=O)Cl)C1	222569248	HPOLZMCYGQZJFT-UHFFFAOYSA-N	133.578	1.297	50	30	ADGC	
CCOC1CC(Cl)C1	83822339	VVCBEBZKGNEAOW-UHFFFAOYSA-N	134.606	1.793	50	30	ADGC	in-vitro
C[C@@H](NC=C(C#N)C#N)C(C)(C)C	4301792	WLHOAGSNPFAMCB-MRVPVSSYSA-N	177.251	1.942	50	30	ADGC	
N[C@@H]1CCC[C@@H](Cl)C1	49588187	YZWGGFBANWSDLC-PHDIDXHHSA-N	133.622	1.495	50	30	ADGC	
COC(=O)[C@H](Cl)c1cccnc1	50977978	KHZUCERFSGXKSM-SSDOTTSWSA-N	185.610	1.535	50	30	ADGC	in-vitro
C[C@@H]1OCC[C@@H]1CBr	86758884	ULWOPSMGNPPTBX-NTSWFWBYSA-N	179.057	1.806	50	30	ADGC	in-vitro
O=C(Cl)O[C@H]1CN2CCC1CC2	34361458	WGNZRZSJIVMRBU-ZETCQYMHSA-N	189.642	1.456	50	30	ADGC	in-vitro
COC(=O)[C@@H](Br)C1CC1	222110270	PNUIIPDSXRMQKT-YFKPBYRVSA-N	193.040	1.333	50	30	ADGC	
C[C@@H](F)CC(=O)[C@@H](C)Cl	39125530	AFUFEVYTJGAVSL-RFZPGFLSSA-N	152.596	1.931	50	30	ADGC	
CS[C@@H](CCl)C(=O)O	104736028	LFENQFINLUIROU-VKHMYHEASA-N	154.618	1.041	50	30	ADGC	
O=C(Cl)N1CC(OC(F)F)C1	885490020	MRHHTUWFRVLOHD-UHFFFAOYSA-N	185.557	1.269	50	30	ADGC	
CO[C@@H](C)CCl	6020682	YSZGJULIUWQDME-BYPYZUCNSA-N	108.568	1.260	50	30	ADGC	
N[C@H]1CCC[C@@H]1Br	74942430	YTSGAVHWZSBZAL-WHFBIAKZSA-N	164.046	1.261	50	30	ADGC	in-vitro
CCCCN1CCC(O)(C#N)CC1	95722806	MTBJFAZUWHUAGK-UHFFFAOYSA-N	182.267	1.137	50	30	ADGC	
C=C(C=O)c1ccccc1C=O	39060516	UPZWADKLXUKPPZ-UHFFFAOYSA-N	160.172	1.711	50	30	ADGC	
COC(=O)[C@@H]1CC[C@H](C(=O)Cl)C1	33953203	TYWZGOWRMWCWFP-NTSWFWBYSA-N	190.626	1.341	50	30	ADGC	
C=C(C=O)CCC#N	38220115	IXMBFEQRFXTDBR-UHFFFAOYSA-N	109.128	1.045	50	30	ADGC	
O=C(Cl)/C=C/CN1CCCC1	21987273	NLYRGWIUXQUAKD-ONEGZZNKSA-N	173.643	1.404	50	30	ADGC	
CCNP(=O)(F)NCC	95704158	SXHZRVNUGLQVRQ-UHFFFAOYSA-N	154.125	1.283	50	30	ADGC	
COC(=O)c1cnccc1C(=O)Cl	45792717	RBWZDQCDFJRUAI-UHFFFAOYSA-N	199.593	1.247	50	30	ADGC	
ClCc1ccnn1C1CC1	95774217	CRNOHOCOSSJLLB-UHFFFAOYSA-N	156.616	1.957	50	30	ADGC	
O=C(O)C1(CCCl)CCOCC1	307093812	DQVSIPUNWNLGGD-UHFFFAOYSA-N	192.642	1.497	50	30	ADGC	
COc1cccc(/C=C/C=O)c1OC	14982703	FRIBMENBGGCKPD-GQCTYLIASA-N	192.214	1.916	50	30	ADGC	
BrCCOC1CC1	220004459	PUDYLBJWZUNZOR-UHFFFAOYSA-N	165.030	1.560	50	30	ADGC	
CC(C)C[C@]1(C)CC(=O)OC1=O	59093778	STCQBUQMHAHLHG-SECBINFHSA-N	170.208	1.512	50	30	ADGC	in-vitro
ClCC[C@@H]1CCCO1	78750126	QHYBFPVFYFQIDQ-LURJTMIESA-N	134.606	1.794	50	30	ADGC	in-vitro
CC(C)(N)CBr	1732011	NONIANXHVMHSLE-UHFFFAOYSA-N	152.035	1.119	50	30	ADGC	in-vitro
CCN(CC)[C@H](C)CCl	34238246	KACSTQZHMHDNKL-SSDOTTSWSA-N	149.665	1.956	50	30	ADGC	
CC(C)N(N)C(=O)OC(C)(C)C	39038602	YUSGHWDYBGUPKI-UHFFFAOYSA-N	174.244	1.506	50	30	ADGC	
CN(C)C(=O)OCCBr	39415870	WAORRHZAFUYCTO-UHFFFAOYSA-N	196.044	1.080	50	30	ADGC	in-vitro
CC(C)(CCl)[C@H](O)C#N	100657467	UTRSMSHVIDVBLM-RXMQYKEDSA-N	147.605	1.136	50	30	ADGC	in-vitro
O=[S@](Cl)CCCl	104719720	FKUBZQOURSEZDB-ZCFIWIBFSA-N	147.026	1.128	50	30	ADGC	
C[C@@]1(C(=O)O)C[C@@H]1Cl	33608850	UDAHHJRBNYAHSW-WVZVXSGGSA-N	134.562	1.088	50	30	ADGC	
CCOC[C@@H](Cl)C(C)=O	39125609	RIKWNPAHKQEWLG-ZCFIWIBFSA-N	150.605	1.219	50	30	ADGC	
COC(=O)CC[C@@H](C)Br	44082575	PUULUFJRBAIMQE-RXMQYKEDSA-N	195.056	1.723	50	30	ADGC	
C[C@]12CC=C[C@H]1C(=O)[C@@H]2Cl	45820041	FUDLIEWCXYZDLR-GEVIPFJHSA-N	156.612	1.759	50	30	ADGC	
O=C=NCc1ccc(F)cc1F	62822064	XLVJXDIJPMYSOZ-UHFFFAOYSA-N	169.130	1.801	50	30	ADGC	
C=CCC(C)(C)N=C=O	117232182	WUPAGFHDCIBVNF-UHFFFAOYSA-N	125.171	1.677	50	30	ADGC	
O=C(F)C(Cl)(Cl)Cl	3876101	LNDJIMKADVTHOS-UHFFFAOYSA-N	165.378	1.853	50	30	ADGC	
CC[C@@H]1O[C@H]1CBr	118695933	LKYCAAULXGRNFC-WHFBIAKZSA-N	165.030	1.559	50	30	ADGC	
CCCC=NNC(=O)OCC	263607764	SIKXBWNAXMOMJO-UHFFFAOYSA-N	158.201	1.518	50	30	ADGC	
Cc1nnc(CBr)o1	83119932	IVKQXJMTMAVUTG-UHFFFAOYSA-N	177.001	1.273	50	30	ADGC	
O=[N+]([O-])OCCCCBr	38812136	IKDHVMDABUMCLO-UHFFFAOYSA-N	198.016	1.370	50	30	ADGC	in-vitro
C[C@@H]1OCC[C@H]1CBr	86758879	ULWOPSMGNPPTBX-WDSKDSINSA-N	179.057	1.806	50	30	ADGC	in-vitro
COC1=C(C(=O)Cl)[C@H]2C=C[C@H]1C2	100105634	AHCRARMPVQLWCV-WDSKDSINSA-N	184.622	1.858	50	30	ADGC	
Cc1nn(C)c(C)c1CCCl	26546935	NQZGXXBRNUEZES-UHFFFAOYSA-N	172.659	1.818	50	30	ADGC	
CC(C)(CCl)[C@@H](O)C#N	100657471	UTRSMSHVIDVBLM-YFKPBYRVSA-N	147.605	1.136	50	30	ADGC	in-vitro
CC(=O)C(Cl)(Cl)C(=O)Cl	33607243	VZAAUKXTLDGLID-UHFFFAOYSA-N	189.425	1.515	50	30	ADGC	
C[C@@H]1C[C@H]2C[C@H]1[C@](O)(C#N)C2	299803306	HRDCNRJPFDWLPA-BZNPZCIMSA-N	151.209	1.307	50	30	ADGC	
Cc1cc(N=C=O)c(C)[nH]1	77260191	GSAHIHBLPDOGEE-UHFFFAOYSA-N	136.154	1.599	50	30	ADGC	
[C-]#[N+]Cc1ccc(C(=O)OCC)o1	100192507	XMFUYEKRGXIEEH-UHFFFAOYSA-N	179.175	1.876	50	30	ADGC	
C[C@@H](Cl)C(=O)[C@@H]1CCC=CC1=O	39055097	WXVWCAJUSWMMQE-RNFRBKRXSA-N	186.638	1.718	50	30	ADGC	
CCc1nnc(CCl)s1	84096494	XNHADKNVHPSBHX-UHFFFAOYSA-N	162.645	1.839	50	30	ADGC	in-vitro
CC(C)[S@](=O)Cl	100553261	OQATUBOUVJHZOK-ZCFIWIBFSA-N	126.608	1.297	50	30	ADGC	in-vitro
Cn1nc(C2CC2)nc1CCl	214720735	JOFJJYCGHCTPKT-UHFFFAOYSA-N	171.631	1.431	50	30	ADGC	
CN(CCCF)C(=O)Cl	716666083	GGPYMDWXOCOOAE-UHFFFAOYSA-N	153.584	1.637	50	30	ADGC	
ClCc1nnc2n1CCCC2	72416249	WMPZNRSMHXNFIK-UHFFFAOYSA-N	171.631	1.353	50	30	ADGC	in-vitro
CO[C@@H]1C=CCC[C@@H]1C(=O)F	38864858	ORXPTVUQRFJZPK-NKWVEPMBSA-N	158.172	1.464	50	30	ADGC	
O=C(Cl)N1CC=C[C@H](Cl)C1	584883965	UXWKOSVCVBPGSM-YFKPBYRVSA-N	180.034	1.824	50	30	ADGC	
CC(C)(C)C(=O)OCOC(=O)Cl	34369450	DVOIGCMLEMFBBP-UHFFFAOYSA-N	194.614	1.909	50	30	ADGC	in-vitro
O=C=N[C@@H]1C[C@H]2CC[C@@H]1C2	38766216	HQTBWWAAVGMMRU-XLPZGREQSA-N	137.182	1.511	50	30	ADGC	
C[C@@H]1CCc2c1nn(C)c2C(=O)Cl	45792667	KWKXPNYQEVMPFK-RXMQYKEDSA-N	198.653	1.849	50	30	ADGC	
N#CC1=C/C(=C/O)C=CC1=O	100051784	PXPAVPSEXWFBLZ-AATRIKPKSA-N	147.133	1.017	50	30	ADGC	
CN1CCC(C)(CCl)CC1	238852696	HCVWMASYAFQVNY-UHFFFAOYSA-N	161.676	1.957	50	30	ADGC	in-vitro
CC(=O)[C@H](Cl)CCCC(=O)O	39128394	WESSDJNCWDFINL-ZCFIWIBFSA-N	178.615	1.438	50	30	ADGC	
COC(=O)[C@@]1(C)C[C@@H]1Br	196445675	IQHRBUGQFSFNHZ-NJGYIYPDSA-N	193.040	1.333	50	30	ADGC	
ClCC1=NOCC1	584605620	AMHRAISHQRLWGU-UHFFFAOYSA-N	119.551	1.002	50	30	ADGC	
O=CC(Cl)(Cl)CCCl	2512295	YTUCKCBFLZHHAR-UHFFFAOYSA-N	175.442	1.988	50	30	ADGC	
C/C=N\NC(=O)c1ccccc1	32011011	MJIZEJCLXHFZHD-SGAXSIHGSA-N	162.192	1.422	50	30	ADGC	
O=C=NC(N=C=O)c1ccccc1	112959491	JXCHMDATRWUOAP-UHFFFAOYSA-N	174.159	1.357	50	30	ADGC	
CP(C)(=O)CBr	145382009	LRKANDQWBAVWMW-UHFFFAOYSA-N	170.974	1.962	50	30	ADGC	
CC[C@@H](C#N)CBr	63064616	MYGHSIUWISNFEI-RXMQYKEDSA-N	162.030	1.931	50	30	ADGC	in-vitro
CC(C)(N)CCCl	96299053	LAMDARLKXHPLKT-UHFFFAOYSA-N	121.611	1.353	50	30	ADGC	
COc1c(F)ccc(F)c1N=C=O	74941669	BDRZUZULTYZSHH-UHFFFAOYSA-N	185.129	1.941	50	30	ADGC	
O=C(O)c1cc(N=C=S)ccc1O	2578970	FXIXLMKSTCAARZ-UHFFFAOYSA-N	195.199	1.825	50	30	ADGC	
O=C(Cl)CCCN1CCCC1	33432737	GCNQYLICKDWCRE-UHFFFAOYSA-N	175.659	1.628	50	30	ADGC	
FC1(CBr)CCNCC1	713767332	DPWMTXVHUZFNGI-UHFFFAOYSA-N	196.063	1.473	50	30	ADGC	
CN1CCC[C@@H](CCCl)C1	71062322	XDVWOTOPYNSYDL-QMMMGPOBSA-N	161.676	1.957	50	30	ADGC	
COC(=O)[C@]1(C)C[C@H]1Br	147265451	IQHRBUGQFSFNHZ-INEUFUBQSA-N	193.040	1.333	50	30	ADGC	
CCc1ncc(CCl)o1	117856756	ZAVAOBPUBGIMRW-UHFFFAOYSA-N	145.589	1.976	50	30	ADGC	
ClCc1cnsn1	34550508	VXDWULIDECASCQ-UHFFFAOYSA-N	134.591	1.277	50	30	ADGC	
CC(=O)O[C@H](Cl)CCl	2023961	QRNBACUXNLBSDC-BYPYZUCNSA-N	156.996	1.353	50	30	ADGC	in-vitro
C=C(C#N)OCC	39212608	RVBFWXYFXKDVKG-UHFFFAOYSA-N	97.117	1.060	50	30	ADGC	
O=C(OO)c1ccc([N+](=O)[O-])cc1	95720902	ZJAFQAPHWPSKRZ-UHFFFAOYSA-N	183.119	1.225	50	30	ADGC	
CC(C)=CN=C=O	96034499	QLUPVIHDWXIQBU-UHFFFAOYSA-N	97.117	1.246	50	30	ADGC	
O=C=Nc1cccc2c1OCC2	26340266	SOJVUJUSOBTJEA-UHFFFAOYSA-N	161.160	1.589	50	30	ADGC	
CC(=O)Oc1ccc(/C=C/C=O)cc1	14504845	CDQCYVXBXRQUOL-NSCUHMNNSA-N	190.198	1.824	50	30	ADGC	in-vitro
Nc1ccccc1/C=C/C=O	95922974	ZSZKASWGDFWFOQ-HWKANZROSA-N	147.177	1.481	50	30	ADGC	
FCCCN1CC[C@@H](Cl)C1	88026991	VLEGDACJPLABRX-SSDOTTSWSA-N	165.639	1.659	50	30	ADGC	
CCCN(N)C(=O)OC(C)(C)C	38338568	UTBLTWHHUIHKIC-UHFFFAOYSA-N	174.244	1.507	50	30	ADGC	in-vitro
O=C(Cl)[C@H]1CCSC1	69985339	KEAKZRVNHAYHHE-BYPYZUCNSA-N	150.630	1.505	50	30	ADGC	
CCCCCC(=O)OO	113068651	NQUPKCJGWCPODR-UHFFFAOYSA-N	132.159	1.583	50	30	ADGC	
CC(C)(CCCl)N=C=O	142655184	ZXRWQEQZKULTHY-UHFFFAOYSA-N	147.605	1.730	50	30	ADGC	
CN1CCC(N=C=S)CC1	34726838	AQZKLVVGTLCSOS-UHFFFAOYSA-N	156.254	1.183	50	30	ADGC	in-vitro
COC(=O)[C@H](C)CCBr	36404768	PVFTYUXVJKUISC-RXMQYKEDSA-N	195.056	1.581	50	30	ADGC	in-vitro
C[C@H]1CC(CCl)=NO1	104688014	CQVCZCBMDJDEIS-BYPYZUCNSA-N	133.578	1.390	50	30	ADGC	
COCC(F)(F)CBr	722804195	PKLLXFAFOCUCCR-UHFFFAOYSA-N	188.999	1.663	50	30	ADGC	
O=C(O)c1ccc(C(=O)Cl)cc1	39056734	OYEQKMASMPBQMP-UHFFFAOYSA-N	184.578	1.764	50	30	ADGC	in-vitro
CC(C)[C@@H](O)CBr	39395491	BTPUKUMEVJBTRZ-YFKPBYRVSA-N	167.046	1.398	50	30	ADGC	
C[C@H](Cl)c1nnnn1C1CC1	97053622	DDBQECGXKYFQCZ-BYPYZUCNSA-N	172.619	1.308	50	30	ADGC	
C[C@H]1C[C@H]1N=C=S	52289547	FEXIFGCTJNAXRN-CRCLSJGQSA-N	113.185	1.498	50	30	ADGC	
O=C(O)[C@@]1(CCCl)CCOC1	306693438	TWPAXYNFVDWGSO-ZETCQYMHSA-N	178.615	1.107	50	30	ADGC	
C[C@H](Br)C(C)(C)N	34172681	YRQWLFYXZKNMNM-BYPYZUCNSA-N	166.062	1.507	50	30	ADGC	
COC(=O)CCC(=O)[C@@H](C)Cl	36459024	SWNOBSIHUWZFLM-RXMQYKEDSA-N	178.615	1.136	50	30	ADGC	
BrCC[C@@H]1CCCN1	237981856	MNOWGEWUJIFQAN-LURJTMIESA-N	178.073	1.523	50	30	ADGC	
Cc1cc(CCBr)on1	238474755	AIXPCBDDXYUIAE-UHFFFAOYSA-N	190.040	1.920	50	30	ADGC	
O=C(F)c1cccc(F)c1	34305384	VCGGTGFOOHOYMA-UHFFFAOYSA-N	142.104	1.935	50	30	ADGC	
C[C@H](Cl)c1nnco1	50284422	STKUERQTBAHHRO-VKHMYHEASA-N	132.550	1.369	50	30	ADGC	
COC[C@@H]1CCN(C(=O)Cl)C1	86894400	JXPITDVDBQCEKU-ZCFIWIBFSA-N	177.631	1.314	50	30	ADGC	in-vitro
CCOC(=O)CCC(=O)CCl	38338652	DPWSGDKZQIYIQC-UHFFFAOYSA-N	178.615	1.138	50	30	ADGC	in-vitro
CC(=O)SCCBr	5639445	NYHLAZJBJZRGPV-UHFFFAOYSA-N	183.070	1.661	50	30	ADGC	in-vitro
O=C(Cl)N1CC=CCC1	39055995	POTCJYKWRLJQKF-UHFFFAOYSA-N	145.589	1.607	50	30	ADGC	
FC(F)=S	100085550	FOCAHLGSDWHSAH-UHFFFAOYSA-N	82.074	1.210	50	30	ADGC	
CCOCCC=C(C#N)C#N	2000163	JMFNOHLRDCIMAU-UHFFFAOYSA-N	150.181	1.387	50	30	ADGC	
C[C@@](Cl)(C#N)CCl	6067184	UABGZMHKAQKPDG-BYPYZUCNSA-N	137.997	1.746	50	30	ADGC	
C[C@@]1(C(=O)Cl)CCCO1	39055940	NLKJOESQIOHMFJ-LURJTMIESA-N	148.589	1.321	50	30	ADGC	
BrC[C@H]1C[C@]12CCOC2	88161710	TVNMGTNGTKSCFB-RQJHMYQMSA-N	191.068	1.808	50	30	ADGC	
C=C(C#N)CNC(=O)OC(C)(C)C	39094397	UZPYKRKKYFCMQI-UHFFFAOYSA-N	182.223	1.591	50	30	ADGC	
O=C1[C@H]2C[C@@H]3C[C@H]1[C@H](Cl)[C@H](C2)C3=O	2265328761	HZNSXYKPDJQTFF-GWVFRZDISA-N	198.649	1.408	50	30	ADGC	
O=C/C=C/c1cccs1	5843463	IEAUKTACQUVNLS-HNQUOIGGSA-N	138.191	1.960	50	30	ADGC	
CC(C)=C[C@H]1CC(=O)OC1=O	113272849	FWAVAVCRVWBJRP-LURJTMIESA-N	154.165	1.042	50	30	ADGC	
FC(F)COCCBr	96034616	VSNAEDNRRKWXCA-UHFFFAOYSA-N	188.999	1.663	50	30	ADGC	in-vitro
O=C=Nc1cccc2c1OCO2	107456466	YLMUUJFWZSLYNF-UHFFFAOYSA-N	163.132	1.383	50	30	ADGC	
CC[C@H](Br)[N+](=O)[O-]	2042099	CGLRMJMKUHEFQB-GSVOUGTGSA-N	167.990	1.394	50	30	ADGC	
CCC[C@H](O)CBr	39372187	AMCWGHNIYLEOOO-YFKPBYRVSA-N	167.046	1.542	50	30	ADGC	
C[C@H]1CCCC[C@H]1N=C=O	39592502	VDVDIOHQFKXVFQ-JGVFFNPUSA-N	139.198	1.901	50	30	ADGC	
COc1ccc2c(c1)/C(=C\C#N)CO2	39090342	OLTUJBVTUMWDIM-YWEYNIOJSA-N	187.198	1.995	50	30	ADGC	
CC1(N=C=O)CCC1	228926096	CNPMRIKXOJEXMD-UHFFFAOYSA-N	111.144	1.265	50	30	ADGC	
C=C[C@@H]1C=CCS[S@]1=O	33829816	ZPRURHACUXSVGY-MUWHJKNJSA-N	160.263	1.508	50	30	ADGC	
CC(=O)[C@@H](C)SC#N	39068435	QJFRGLSACZTTIO-RXMQYKEDSA-N	129.184	1.178	50	30	ADGC	in-vitro
OC1(CCBr)CCC1	306339067	WSQXFIYFNWDJPH-UHFFFAOYSA-N	179.057	1.686	50	30	ADGC	
Cc1cc(F)nc(CCl)n1	575491837	OKCGXKCXROXENW-UHFFFAOYSA-N	160.579	1.663	50	30	ADGC	
COc1ccc(OC)c(CN=C=O)c1	19730722	YRARSQMDVRGIHH-UHFFFAOYSA-N	193.202	1.540	50	30	ADGC	
S=C=NCCN1CCCC1	9246103	MLCHXPGOSMFFOK-UHFFFAOYSA-N	156.254	1.185	50	30	ADGC	
CCCCC(=O)OCCl	32162792	ZYDSTVMBNBPPLQ-UHFFFAOYSA-N	150.605	1.916	50	30	ADGC	
O=C=NC1CCC(F)(F)CC1	122481596	DMMOKMVFVOULFR-UHFFFAOYSA-N	161.151	1.900	50	30	ADGC	
O=CCCCCBr	38415949	LEJSXHLXJUILMI-UHFFFAOYSA-N	165.030	1.751	50	30	ADGC	in-vitro
CO[C@@H](C)[C@@H](C)Br	111353719	MNFFVQPIBJUTHA-UHNVWZDZSA-N	167.046	1.805	50	30	ADGC	
N[C@@H](C(=O)Cl)c1ccc(O)cc1	33506757	YLHCHEBQIHXSIW-SSDOTTSWSA-N	185.610	1.157	50	30	ADGC	
Br[C@H]1CC12CCNCC2	706627986	VELJFVJVXLQLNR-LURJTMIESA-N	190.084	1.523	50	30	ADGC	
O=C(Cl)N1CC[C@H](CF)C1	711415833	ZRBPJEYBUFXSBN-RXMQYKEDSA-N	165.595	1.637	50	30	ADGC	
CCn1cc(CCCl)nn1	52226169	WCCJAOGSRSANHL-UHFFFAOYSA-N	159.620	1.079	50	30	ADGC	
COc1cccc(C#N)c1N=C=O	238360831	KKSFGIMZSUDAKX-UHFFFAOYSA-N	174.159	1.534	50	30	ADGC	
CC12CC(CBr)(CO1)C2	685945521	ANTNRIMCLYAMHN-UHFFFAOYSA-N	191.068	1.950	50	30	ADGC	
C=C(CCl)OC	5996682	YHGBBOXHHMFPBY-UHFFFAOYSA-N	106.552	1.385	50	30	ADGC	
COc1cc(CCl)ncn1	95642175	LWGSLEPVHWXNOF-UHFFFAOYSA-N	158.588	1.224	50	30	ADGC	
CC[C@@H]1C[C@@H](Br)C(=O)O1	114964939	LGWUAVWPMYBCTB-RFZPGFLSSA-N	193.040	1.475	50	30	ADGC	
CCOC(=O)[C@H](Cl)SC	117552366	PYRXAKHVTIHCFE-SCSAIBSYSA-N	168.645	1.477	50	30	ADGC	
O/N=C1\CCCC[C@H]1Cl	135976732	ODCQZCNSWWLGCQ-KITRQZPWSA-N	147.605	1.998	50	30	ADGC	
COC12CCC(CC1)[C@@](O)(C#N)C2	95742789	KYGOJTUQFGHOKL-RTBKNWGFSA-N	181.235	1.220	50	30	ADGC	
ClCc1noc(N2CCCC2)n1	95774201	SJIHANIYLNSTTI-UHFFFAOYSA-N	187.630	1.409	50	30	ADGC	
C[C@H](Br)[C@H]1CO1	38888592	YXGBQJQAKULVEL-IUYQGCFVSA-N	151.003	1.169	50	30	ADGC	
O=C(Cl)OCc1cccnc1	107123561	RMDRDKGNLXKQEA-UHFFFAOYSA-N	171.583	1.957	50	30	ADGC	
CCn1nnc(C)c1CCl	299805647	ZKBZMYUAQJQZKS-UHFFFAOYSA-N	159.620	1.345	50	30	ADGC	
Cc1cc(C(=O)CCl)ns1	2265384905	GGHPLLUITMHLNA-UHFFFAOYSA-N	175.640	1.873	50	30	ADGC	
O=C(Cl)[C@H]1O[C@H]1c1ccccc1	39056583	UDMATVVNUPRAEJ-YUMQZZPRSA-N	182.606	1.892	50	30	ADGC	
C[C@@](O)(CBr)CN=[N+]=[N-]	238463836	CHCISTABLMKRNC-SCSAIBSYSA-N	194.032	1.443	50	30	ADGC	
CC(=O)[C@@H](Cl)CCCl	5167087	NOSBOKVYSXXKFL-YFKPBYRVSA-N	155.024	1.812	50	30	ADGC	
C[C@@]1(C(=O)Cl)CC1(F)F	34347227	UGUAVPGPLGNTQL-BYPYZUCNSA-N	154.543	1.797	50	30	ADGC	
Cc1c(N)cccc1C(=O)Cl	39056272	QIOSIMVXEHIKDB-UHFFFAOYSA-N	169.611	1.956	50	30	ADGC	
CON=CC(C#N)=Cc1cccnc1	2265224228	CTACFVLIPYYKHX-UHFFFAOYSA-N	187.202	1.621	50	30	ADGC	
[C-]#[N+]C[C@@H]1COC(C)(C)O1	95686693	DGABYTZNVOAQDW-ZCFIWIBFSA-N	141.170	1.057	50	30	ADGC	
CC/C=C(\C)C#N	2010899	MLPZAALXVQOBFB-GQCTYLIASA-N	95.145	1.866	50	30	ADGC	
ClCCc1cnoc1	238853774	KYHPVMNMLXQGEO-UHFFFAOYSA-N	131.562	1.456	50	30	ADGC	
O=C=NCCC1CCCC1	19476857	LWTBVXMWDTZPOI-UHFFFAOYSA-N	139.198	1.903	50	30	ADGC	
CC1(C)C[C@@H]1N=C=O	62822187	QRWYCQPBTMPGRL-YFKPBYRVSA-N	111.144	1.121	50	30	ADGC	in-vitro
COC(=O)c1cnc(CCl)nc1	35322973	QJRGBNBQIGARJS-UHFFFAOYSA-N	186.598	1.002	50	30	ADGC	in-vitro
ClCc1ccns1	67176153	YKIKIIQSXSZENB-UHFFFAOYSA-N	133.603	1.882	50	30	ADGC	in-vitro
ClCc1nnc(Cl)s1	138257198	VKUVCSPPMPTQHK-UHFFFAOYSA-N	169.036	1.930	50	30	ADGC	
O=C(OCCl)N1CCCC1	104728268	KWQRWSRWSWLRGN-UHFFFAOYSA-N	163.604	1.415	50	30	ADGC	
CN(C(=O)Cl)C1CCC1	219095336	XEGKZCVQLPQMTK-UHFFFAOYSA-N	147.605	1.830	50	30	ADGC	
CC(=O)[C@@H](C)CCCl	104732343	XKEZKJHAYZEVNQ-YFKPBYRVSA-N	134.606	1.840	50	30	ADGC	in-vitro
COC(=O)NN=C(C)c1cccs1	254577913	SASRIILNMYDXHF-UHFFFAOYSA-N	198.247	1.828	50	30	ADGC	
ClCc1cc2n(n1)CCC2	307040370	IMLYUHBBZVTTNG-UHFFFAOYSA-N	156.616	1.568	50	30	ADGC	
O=C(Cl)N1CCO[C@@H](C2CC2)C1	885553901	QWHHMTXITGPMMZ-SSDOTTSWSA-N	189.642	1.456	50	30	ADGC	
Cl[C@@H]1CCCO[C@@H]1Cl	138675621	PHMXXMFOSQBXNV-UHNVWZDZSA-N	155.024	1.969	50	30	ADGC	
Br[C@@H]1CC12CCNCC2	706627994	VELJFVJVXLQLNR-ZCFIWIBFSA-N	190.084	1.523	50	30	ADGC	
[C-]#[N+]Cc1ocnc1C(=O)OCC	950757328	UNUGAZVWALMTOB-UHFFFAOYSA-N	180.163	1.271	50	30	ADGC	
C[C@@H]1CC[C@H](CBr)O1	34160073	PIUMSFMCVMXGKX-PHDIDXHHSA-N	179.057	1.949	50	30	ADGC	
C[C@H]1CCCC[C@@H]1N=C=O	39592498	VDVDIOHQFKXVFQ-YUMQZZPRSA-N	139.198	1.901	50	30	ADGC	
N#CC(C#N)=CCl	39251355	ABWDYPYMGCFQPJ-UHFFFAOYSA-N	112.519	1.156	50	30	ADGC	in-vitro
C/C=C\C=C\C=O	4759170	BATOPAZDIZEVQF-AWYLAFAOSA-N	96.129	1.318	50	30	ADGC	
ClCC[C@@H]1CCOC1	82457368	UAPVJCWLMFDSPP-ZCFIWIBFSA-N	134.606	1.652	50	30	ADGC	
COCC(CCCl)COC	306853207	TXAUNQDSYMRKSB-UHFFFAOYSA-N	166.648	1.524	50	30	ADGC	
BrCC1C[C@H]2O[C@@H]2C1	521399270	YXLRVVOMQKLKPQ-PHDIDXHHSA-N	177.041	1.559	50	30	ADGC	in-vitro
ClCCCCCn1cncn1	37393678	BKWUVOOTKBGULW-UHFFFAOYSA-N	173.647	1.687	50	30	ADGC	in-vitro
CCC[C@H](CC)N=C=O	62822066	DNBQKIFNYIZSRX-ZETCQYMHSA-N	127.187	1.901	50	30	ADGC	
CC(C)OOC(C)C	111333230	NFPBWZOKGZKYRE-UHFFFAOYSA-N	118.176	1.751	50	30	ADGC	
O=NN1CCC[C@@H](Cl)C1	27865067	KWWLFIMAJYMXDK-RXMQYKEDSA-N	148.593	1.371	50	30	ADGC	
C=C(C=O)NC(=O)OC(C)(C)C	21998766	KDWHSBCFFPPQQV-UHFFFAOYSA-N	171.196	1.224	50	30	ADGC	
Cc1cc(N)nc(CCl)c1	204148606	LKWLJBXLRUSDRV-UHFFFAOYSA-N	156.616	1.711	50	30	ADGC	
C[C@H]1O[C@H]1CBr	39277754	PNKIAICRRFHSBQ-DMTCNVIQSA-N	151.003	1.169	50	30	ADGC	
COc1cccc([C@@H](O)C#N)c1	85546897	XDOJPCPGMDHJAA-VIFPVBQESA-N	163.176	1.252	50	30	ADGC	
CON=C(CCl)CCl	104688168	PUJKNTKCKYKOTD-UHFFFAOYSA-N	156.012	1.466	50	30	ADGC	
C[C@@H](Cl)[C@@H](O)CCl	104732658	RCWHZEBSWOBIDT-DMTCNVIQSA-N	143.013	1.213	50	30	ADGC	
ClCC[C@@H]1CN2CCC1CC2	238576438	IGBNYQRUPZGWRZ-SECBINFHSA-N	173.687	1.957	50	30	ADGC	
O=C=NC1(CCCCl)CC1	2265378643	ZWUYDAHUSHAMLM-UHFFFAOYSA-N	159.616	1.874	50	30	ADGC	
N#CC1=CC[C@H](C(=O)O)CC1	39066130	GIEWKRCILCGJSG-ZETCQYMHSA-N	151.165	1.321	50	30	ADGC	
N#C[C@@H](O)C1CCCC1	85563714	CAHMXFSHMWZLFO-SSDOTTSWSA-N	125.171	1.061	50	30	ADGC	in-vitro
O=C(O)CCSCCCCl	88189967	UCCXYDPCEOPAQF-UHFFFAOYSA-N	182.672	1.823	50	30	ADGC	in-vitro
Nc1nc(CBr)cs1	6391992	PFKBNTVFJKMBNW-UHFFFAOYSA-N	193.069	1.620	50	30	ADGC	
O=C(Cl)N1CC=CC1	606242417	DECGMPZXVISYSF-UHFFFAOYSA-N	131.562	1.217	50	30	ADGC	
CSSCCCC(=O)O	35784170	CXRDNLDONYMEBK-UHFFFAOYSA-N	166.267	1.862	50	30	ADGC	
CCN(C#N)CCCl	104714466	FOIWTYLLDUEXJN-UHFFFAOYSA-N	132.594	1.028	50	30	ADGC	
O=C1CCC[C@H](CBr)N1	217616649	WNYPGLMMEOPDPQ-RXMQYKEDSA-N	192.056	1.050	50	30	ADGC	
CO/C=C/C(=O)CO[Si](C)(C)C	198237418	NRHZOJCZTTYSOS-AATRIKPKSA-N	188.299	1.567	50	30	ADGC	
N#CC1=C(C#N)CCC1	5133375	HEXQKPDCBSWTHM-UHFFFAOYSA-N	118.139	1.514	50	30	ADGC	
C[C@H](Cl)C(=O)n1cccn1	39054743	WJFVGVYQKMGQAQ-YFKPBYRVSA-N	158.588	1.151	50	30	ADGC	
CCOC(=O)[C@H]1CC[C@H]1C(=O)Cl	39056889	CDYCAPOOETXJGE-RITPCOANSA-N	190.626	1.341	50	30	ADGC	
CC(C)S(=O)(=O)CCCl	32006609	JAXQJRUMIQDPCP-UHFFFAOYSA-N	170.661	1.048	50	30	ADGC	
CC(C)Cn1nncc1CCl	95774073	GUYKYZSTONZYHS-UHFFFAOYSA-N	173.647	1.673	50	30	ADGC	
N#CC(=C=N)/C=C/C=C/C=C(C#N)C#N	136489461	RUTDJKPZAPCHCB-ZPUQHVIOSA-N	194.197	1.771	50	30	ADGC	
C[C@@H]1OC(C)(C)O[C@H]1C(=O)Cl	39056569	ZSQOAWMHWUUGEB-CRCLSJGQSA-N	178.615	1.292	50	30	ADGC	
C[C@](Cl)(C#N)CCl	6031967	UABGZMHKAQKPDG-SCSAIBSYSA-N	137.997	1.746	50	30	ADGC	
C=CCCOCCBr	26515994	YTPMUVIEWCXYFM-UHFFFAOYSA-N	179.057	1.974	50	30	ADGC	
Cc1nnc(CBr)s1	142339419	HMJWTXBNPGZMDW-UHFFFAOYSA-N	193.069	1.741	50	30	ADGC	
O=C(Cl)c1cncc(F)c1	34289944	DINIMVOXGAFQJL-UHFFFAOYSA-N	159.547	1.600	50	30	ADGC	
COC(=O)N1CC(C#N)=C[C@H](C)C1	38671870	DZSPRWKXPVNTPE-ZETCQYMHSA-N	180.207	1.154	50	30	ADGC	
CC(C)[C@@H](O)CCl	104723617	OATUOZRGCOGQQF-YFKPBYRVSA-N	122.595	1.242	50	30	ADGC	in-vitro
N#CC(C#N)=CNCCc1ccncc1	16009595	PVEUIHSBYANGCH-UHFFFAOYSA-N	198.229	1.145	50	30	ADGC	
CN=NC(C)(C)OO	256787882	ZJQJZIJIBNDGAR-UHFFFAOYSA-N	118.136	1.294	50	30	ADGC	
CCCC(=O)OO[C@@H](O)CCC	100114444	RBOSMZZETFYODM-SSDOTTSWSA-N	176.212	1.380	50	30	ADGC	
C=C(C=O)Cc1ccc2c(c1)OCO2	33986541	GQPLAQHDCOTNIP-UHFFFAOYSA-N	190.198	1.713	50	30	ADGC	
C[C@@H](Cl)c1cccnn1	112968328	YALXXMNDTSBYRX-RXMQYKEDSA-N	142.589	1.776	50	30	ADGC	
CC[C@@H](Br)COC	32161674	MPXVTXBMYIRQGB-RXMQYKEDSA-N	167.046	1.806	50	30	ADGC	
O=C(Cl)NC1CCC1	258734004	KFEFXTWUEQZHRR-UHFFFAOYSA-N	133.578	1.487	50	30	ADGC	
C[C@@]1(c2ccsc2)CC(=O)OC1=O	88256359	IWIVBDULZYFZNO-VIFPVBQESA-N	196.227	1.479	50	30	ADGC	
CO[C@@H]1CCC[C@H]1Br	32218590	HNBGZVCNAAUYAD-PHDIDXHHSA-N	179.057	1.949	50	30	ADGC	in-vitro
Cc1c(CBr)cnn1C	54711037	WYBNMLKTYWHYIX-UHFFFAOYSA-N	189.056	1.623	50	30	ADGC	
O=NN1C[C@H](Cl)[C@@H](Cl)C1	5157088	NXUCOCMJAHWYNO-IMJSIDKUSA-N	169.011	1.198	50	30	ADGC	
O=C=NC1Cc2ccccc2C1	115458639	MIYNDFUOSRBYMV-UHFFFAOYSA-N	159.188	1.490	50	30	ADGC	
O=C(Cl)OC[C@H]1CCCO1	59906429	JUEYJVZDCUZWDX-RXMQYKEDSA-N	164.588	1.541	50	30	ADGC	in-vitro
Cc1ccc(C(=O)N=C=O)cc1	19408023	MLWXSSVGXIJYIR-UHFFFAOYSA-N	161.160	1.471	50	30	ADGC	
Cc1cc(N)ccc1C(=O)Cl	39056294	UCVRRSDHEDFYQT-UHFFFAOYSA-N	169.611	1.956	50	30	ADGC	
COC(=C(C#N)C#N)C(C)C	34128318	MJCAQSBAVUGUSO-UHFFFAOYSA-N	150.181	1.590	50	30	ADGC	in-vitro
CSC(=O)NNC(=O)SC	32223727	JYNFBQLMNSFZDY-UHFFFAOYSA-N	180.254	1.047	50	30	ADGC	
CCCn1ncnc1CCl	78750468	NIUVMKCJDJHIGN-UHFFFAOYSA-N	159.620	1.427	50	30	ADGC	in-vitro
CC(C)CC[S@](=O)Cl	201347498	PITKZVSTELAQAI-QMMMGPOBSA-N	154.662	1.935	50	30	ADGC	
C#Cc1ccccc1N=C=O	238700364	LPWFQCGPNJLGDJ-UHFFFAOYSA-N	143.145	1.635	50	30	ADGC	
CC1=CCN(C(=O)Cl)OC1	39056196	RCPSEXCYDLYRNS-UHFFFAOYSA-N	161.588	1.539	50	30	ADGC	
Cn1cc([N+](=O)[O-])cc1C(=O)Cl	20248570	ZBXBOVMIODZOBQ-UHFFFAOYSA-N	188.570	1.312	50	30	ADGC	
O=C(Cl)[C@@H]1CCC=CO1	39055950	OIEIWAIIOKNLOV-YFKPBYRVSA-N	146.573	1.445	50	30	ADGC	
CC(=O)CCCCN=C=O	39069130	QUAIUPIMDGMEDX-UHFFFAOYSA-N	141.170	1.082	50	30	ADGC	
N#CSCCO[C@H]1CCCCO1	39090307	JIASUNXUWUFBAE-QMMMGPOBSA-N	187.264	1.744	50	30	ADGC	
O=C=NCC1(CN=C=O)CCCCC1	111487383	QXRRAZIZHCWBQY-UHFFFAOYSA-N	194.234	1.609	50	30	ADGC	
C#CCCCCN=C=O	238694339	JJRBRPNAODIFAX-UHFFFAOYSA-N	123.155	1.126	50	30	ADGC	
N#CC1(O)CCC2(CC1)CC2	606244448	YQOCANGBKOIPAS-UHFFFAOYSA-N	151.209	1.595	50	30	ADGC	
O=CC1=CSCCS1	38948816	DKYSNLAMIOUDAY-UHFFFAOYSA-N	146.236	1.507	50	30	ADGC	
C[C@@]1(CCl)CCCC1=O	96300604	XWYYBAHMEJIMKQ-ZETCQYMHSA-N	146.617	1.985	50	30	ADGC	in-vitro
ClCCOC1CCC1	50520399	LHCCGQWEDVFGKC-UHFFFAOYSA-N	134.606	1.794	50	30	ADGC	
BrCCO[C@H]1CCOC1	82453582	CGZLZBOTLVAFRY-LURJTMIESA-N	195.056	1.187	50	30	ADGC	
O=CC1=CCC[C@H]2C[C@@]12C=O	5134741	SGBMCPLPBYSHKJ-CBAPKCEASA-N	150.177	1.111	50	30	ADGC	
COCC(Br)COC	71624495	IATIPDVXXMRIGE-UHFFFAOYSA-N	183.045	1.043	50	30	ADGC	
Fc1ccnc(CCl)n1	144955454	RGSPTSXXNMWTLT-UHFFFAOYSA-N	146.552	1.355	50	30	ADGC	
CC(C)(C)SS(C)(=O)=O	231382597	GOPZNWBPYDZZFH-UHFFFAOYSA-N	168.283	1.478	50	30	ADGC	
O=C(CBr)[C@H]1CCCO1	38350658	NOYOYKREDRZQSD-ZCFIWIBFSA-N	193.040	1.129	50	30	ADGC	
O=C(CBr)[C@@H]1CCCO1	39055168	NOYOYKREDRZQSD-LURJTMIESA-N	193.040	1.129	50	30	ADGC	
Cn1cc(Cl)c(C=C(C#N)C#N)n1	77539	XXXRACGDXGYMFJ-UHFFFAOYSA-N	192.609	1.504	50	30	ADGC	
C=C(C=O)C(C)C	5440301	QOUVUDUTJPGJNG-UHFFFAOYSA-N	98.145	1.398	50	30	ADGC	
N#Cc1ccc([C@@H](Cl)C(N)=O)cc1	68593323	CKCMHUOIHSUTIT-MRVPVSSYSA-N	194.621	1.323	50	30	ADGC	in-vitro
C/C(C#N)=C(\N)c1ccccc1	100305261	YSYGWWPQIGAWSV-CSKARUKUSA-N	158.204	1.900	50	30	ADGC	
C[C@@](C#N)(N=C=O)c1ccccc1	39255925	KVJBLQINBRYCDF-JTQLQIEISA-N	172.187	1.761	50	30	ADGC	
ClCc1cccc2ncnn12	238520964	IPJBWSIZCWJFJF-UHFFFAOYSA-N	167.599	1.468	50	30	ADGC	
CC(C)(C)N(N)C(=O)c1ccccc1	1092858	OQVSACGODYLLEZ-UHFFFAOYSA-N	192.262	1.801	50	30	ADGC	
O=c1[nH]c2ccc(CCl)cc2o1	69803663	MYHPYPWWFFXQDY-UHFFFAOYSA-N	183.594	1.860	50	30	ADGC	
N#C/C=C1C(=N/O)/C(=O)c2ccccc2/1	216851175	WRFKDYANFPQETO-NSCBVSHOSA-N	198.181	1.620	50	30	ADGC	
COC(=O)c1cc(C)c(CCl)cn1	238349482	OVFYQBSGSWDXBB-UHFFFAOYSA-N	199.637	1.915	50	30	ADGC	
O=C(O)c1cc(CCl)on1	12958116	RFQAZQHGFPGMSU-UHFFFAOYSA-N	161.544	1.112	50	30	ADGC	
C[C@]12CC=C[C@H]1C(=O)[C@H]2Cl	306194396	FUDLIEWCXYZDLR-ARDNSNSESA-N	156.612	1.759	50	30	ADGC	
COC(=O)CCCSSC	685945725	ZEWCFFAAUKKAJN-UHFFFAOYSA-N	180.294	1.951	50	30	ADGC	
C=C(O[Si](C)(C)C)C(=O)OC	195834599	UOYRPHSNHSFLHV-UHFFFAOYSA-N	174.272	1.525	50	30	ADGC	
CCOC[C@H](Cl)C(C)=O	39125608	RIKWNPAHKQEWLG-LURJTMIESA-N	150.605	1.219	50	30	ADGC	
CC(C)(N=C=O)C1CC1	232529732	BPVHJXCEURSCDS-UHFFFAOYSA-N	125.171	1.511	50	30	ADGC	
O=C(Cl)[C@@H]1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]21	100198939	QODMBIVETQUSAO-ODKVQYDOSA-N	168.623	1.820	50	30	ADGC	
C=CC[C@@H](Cl)C(=O)O	60184037	MRNJHZMMKIFBAV-SCSAIBSYSA-N	134.562	1.255	50	30	ADGC	
N#CC(C#N)=CNCc1cccs1	13286755	XVEVLNCMEPLOOD-UHFFFAOYSA-N	189.243	1.769	50	30	ADGC	
O=C(Cl)OC1CCC1	33839281	QPOSYIIMLMZMAZ-UHFFFAOYSA-N	134.562	1.914	50	30	ADGC	in-vitro
O[C@H](CCl)CN1CCCCC1	39255876	IGMZDGBNMCELOE-MRVPVSSYSA-N	177.675	1.072	50	30	ADGC	
COCCCC(=O)Cl	39291727	IMQIREFMSWXIEJ-UHFFFAOYSA-N	136.578	1.178	50	30	ADGC	
O=C1C(=O)[C@H](Cl)CC[C@H]1Cl	111889007	LVSHXWALSXQHOL-QWWZWVQMSA-N	181.018	1.133	50	30	ADGC	
C=CC[C@@H](CBr)OC	197505221	YRCYKGDOLJUXGD-LURJTMIESA-N	179.057	1.972	50	30	ADGC	
C[C@@]1(C2CC2)CC(=O)[C@@H]1Cl	39125405	VLNBOKYABZLPAT-YUMQZZPRSA-N	158.628	1.983	50	30	ADGC	
CCn1cc(CCCl)cn1	60711257	MAGKOTUUZJHLNI-UHFFFAOYSA-N	158.632	1.684	50	30	ADGC	in-vitro
O=C(Cl)C1[C@H]2CC=CC[C@H]12	100198441	OQOMEKUYJUMXGM-WDSKDSINSA-N	156.612	1.964	50	30	ADGC	
Cl[C@H]1CCCO[C@@H]1Cl	138675506	PHMXXMFOSQBXNV-WHFBIAKZSA-N	155.024	1.969	50	30	ADGC	
CC(C)(C)n1nnc(CCl)n1	238150266	GTKYTWWTFOXCBF-UHFFFAOYSA-N	174.635	1.167	50	30	ADGC	
CCO[C@H]1C[C@H](Br)C1	242728151	YVGAMOVMFISILV-IZLXSQMJSA-N	179.057	1.949	50	30	ADGC	
F[C@H](CBr)[C@@H]1CCOC1	258208734	XNXDHBSKQIUYQZ-PHDIDXHHSA-N	197.047	1.756	50	30	ADGC	
O=C(Cl)N1CC[C@@H](CF)C1	711415834	ZRBPJEYBUFXSBN-YFKPBYRVSA-N	165.595	1.637	50	30	ADGC	
FCCCN1CC[C@H](Cl)C1	88026992	VLEGDACJPLABRX-ZETCQYMHSA-N	165.639	1.659	50	30	ADGC	
ClCc1cnsc1	95763548	PLOSCALOUKVAQO-UHFFFAOYSA-N	133.603	1.882	50	30	ADGC	
N[C@@H]1CCCC[C@H]1Cl	1698022	RTZWBJIYBWNJMR-PHDIDXHHSA-N	133.622	1.495	50	30	ADGC	
CCCCC/C=N\N(C)C=O	5371462	QRMNFHXPNKCTAG-CLFYSBASSA-N	156.229	1.641	50	30	ADGC	
CCCCNC(=O)Cl	34257421	HXMTZADTMCGSBJ-UHFFFAOYSA-N	135.594	1.735	50	30	ADGC	
CCC[C@@H](Br)C(N)=O	39646044	SUQPMLQLMVIHIJ-SCSAIBSYSA-N	180.045	1.035	50	30	ADGC	
CSCC1(CN=C=O)CC1	72266614	HATPMUMFCXPTJL-UHFFFAOYSA-N	157.238	1.465	50	30	ADGC	in-vitro
Cc1cnc(CBr)[nH]1	958559471	FSBUPIFJBPEZPO-UHFFFAOYSA-N	175.029	1.613	50	30	ADGC	
BrCCCn1cccn1	36723777	JOZGANJKYRVSCB-UHFFFAOYSA-N	189.056	1.668	50	30	ADGC	
CN(C(=O)Cl)C1CCOCC1	82398058	RWFUXLPVGAMXEF-UHFFFAOYSA-N	177.631	1.456	50	30	ADGC	in-vitro
C[C@@]1(C#N)CCN(C(=O)Cl)C1	885337756	FCQSFZUAGVCZHC-ZETCQYMHSA-N	172.615	1.581	50	30	ADGC	
CC(=O)SCCC(=O)CCl	90495878	LRDGFGVIPZFPEW-UHFFFAOYSA-N	180.656	1.464	50	30	ADGC	in-vitro
C[C@H]1CO[C@H](CCCl)O1	6037894	LMKBJXAPLYHFGC-WDSKDSINSA-N	150.605	1.377	50	30	ADGC	
C[C@@H](Cl)C(C)(C)O	80177724	YYHQXKBKFKTDMP-SCSAIBSYSA-N	122.595	1.385	50	30	ADGC	in-vitro
N#C/C(O)=C1/C=CC=CC1=O	299754661	FAYIDQSPFJCKCQ-SOFGYWHQSA-N	147.133	1.017	50	30	ADGC	
ClCc1ccc2[nH]nnc2c1	32600123	LEWWLWBQKZETKB-UHFFFAOYSA-N	167.599	1.697	50	30	ADGC	
CN(C)c1cccc(C(=O)F)c1	39056283	WIQVDDOVBGLGOX-UHFFFAOYSA-N	167.183	1.862	50	30	ADGC	
ClC[C@H]1COC2(CCOCC2)O1	134973295	XOEVLUURQNKVCN-ZETCQYMHSA-N	192.642	1.147	50	30	ADGC	
CC(C)[C@H](Cl)CN	78066005	YZUIBBOUDUJHFP-RXMQYKEDSA-N	121.611	1.209	50	30	ADGC	
C[C@H]1CCCN1C(=O)Cl	86889871	PYNWJDARHGISNW-YFKPBYRVSA-N	147.605	1.830	50	30	ADGC	
CCN(CC)[C@@H](C)CCl	34238244	KACSTQZHMHDNKL-ZETCQYMHSA-N	149.665	1.956	50	30	ADGC	
C/C=N/NC(=O)c1ccco1	39064776	JBKDZUKFJIWPLX-KRXBUXKQSA-N	152.153	1.015	50	30	ADGC	
Cc1cccc(S(=O)(=O)N=C=O)c1	41207479	NRPHEJYDQNWSJF-UHFFFAOYSA-N	197.215	1.020	50	30	ADGC	in-vitro
O=C1CC[C@@H](Cl)C[C@@H]1Cl	141981723	RYWOZNGENNUQOQ-UHNVWZDZSA-N	167.035	1.954	50	30	ADGC	
N#C[C@H](O)C1CCCC1	85563719	CAHMXFSHMWZLFO-ZETCQYMHSA-N	125.171	1.061	50	30	ADGC	in-vitro
CC[C@@H](Br)C(=O)C(C)=O	200087176	LCHFNDTWTLPZGX-RXMQYKEDSA-N	193.040	1.318	50	30	ADGC	
C=C(C#N)C(=O)OCCC(C)C	2016627	GASDVTHQNCFANM-UHFFFAOYSA-N	167.208	1.655	50	30	ADGC	investigational
CN(C)C1CCN(C(=O)Cl)CC1	39056854	XQQWFDSVQUMIJG-UHFFFAOYSA-N	190.674	1.371	50	30	ADGC	
C[C@@H](Cl)c1nc[nH]n1	141429174	JDPVHATWHXJFJM-GSVOUGTGSA-N	131.566	1.105	50	30	ADGC	
ClCc1n[nH]c2c1COCC2	238524135	XVVHGWMQZXSNFR-UHFFFAOYSA-N	172.615	1.221	50	30	ADGC	
CN(C)C=C(C#N)C=CC#N	2265224229	UZMFNKPKADEDNP-UHFFFAOYSA-N	147.181	1.035	50	30	ADGC	
O=[N+]([O-])[C@]1(F)C=C(F)C=C[C@H]1Cl	21299110	BOMLJTAAERPHOJ-PHDIDXHHSA-N	195.552	1.960	50	30	ADGC	
CC(C)[C@H]1COCN1C(=O)CCl	39055187	VUTICZSJNVHTSO-SSDOTTSWSA-N	191.658	1.066	50	30	ADGC	
CC(=O)N[C@]1(C#N)CC[C@H](Cl)C1	104458938	RKIXDLRUDHZQFP-JGVFFNPUSA-N	186.642	1.176	50	30	ADGC	
O=C=N[C@@H]1C=CCC1	146548203	BYNYZBUHAYTYEB-ZCFIWIBFSA-N	109.128	1.041	50	30	ADGC	
COCCOCCOCCCCl	32210978	RKDWGHGQWJLHRH-UHFFFAOYSA-N	196.674	1.295	50	30	ADGC	
CC(=O)CCN=C=S	39403350	LBYTUOGLEPSSAI-UHFFFAOYSA-N	129.184	1.068	50	30	ADGC	
CC(C)C[C@@H]1CC(=O)OC1=O	104832827	RMYDZBMRAPLPAL-ZCFIWIBFSA-N	156.181	1.122	50	30	ADGC	
C[C@@H]1CO[C@H](CCCl)O1	6031283	LMKBJXAPLYHFGC-RITPCOANSA-N	150.605	1.377	50	30	ADGC	
Cc1cc(CN=C=S)no1	44725599	MDZCFECQJIOMSE-UHFFFAOYSA-N	154.194	1.586	50	30	ADGC	in-vitro
C=C[C@H](Cl)CCOC	104371521	MLYSABYEFSOYDB-LURJTMIESA-N	134.606	1.816	50	30	ADGC	
N#CC(C#N)=CNc1cccc(N)n1	20413093	PTMIYYJKHUBSIO-UHFFFAOYSA-N	185.190	1.007	50	30	ADGC	
CC(=O)[C@H](Cl)CCCl	5166986	NOSBOKVYSXXKFL-RXMQYKEDSA-N	155.024	1.812	50	30	ADGC	
Cc1cnc(CBr)cn1	54711019	PFLPXFGKWATGDO-UHFFFAOYSA-N	187.040	1.680	50	30	ADGC	
N[C@H](C(=O)O)c1ccc(CCl)cc1	138280934	DYDURQGGFUSTQY-QMMMGPOBSA-N	199.637	1.510	50	30	ADGC	
CC(=O)Nc1nccc(CCl)n1	39125913	AFYFMJPUDAXWDU-UHFFFAOYSA-N	185.614	1.174	50	30	ADGC	
CC[C@H]1O[C@H]1CBr	118695935	LKYCAAULXGRNFC-UHNVWZDZSA-N	165.030	1.559	50	30	ADGC	
C[C@H]1C=C[C@@H](C)[C@@H]2C(=O)OC(=O)[C@H]12	136890986	UKVSOXGGGOPLAE-SOSBWXJGSA-N	180.203	1.144	50	30	ADGC	
O=C=NCCOCc1ccccc1	38855852	PKNRMJJCVUBNTM-UHFFFAOYSA-N	177.203	1.539	50	30	ADGC	
C[C@H]1O[C@@H]1CBr	39277757	PNKIAICRRFHSBQ-QWWZWVQMSA-N	151.003	1.169	50	30	ADGC	
CC(F)(F)[C@@H](Cl)C(=O)O	116895789	LVIQNNJPPNITPS-REOHCLBHSA-N	158.531	1.334	50	30	ADGC	
O=C(Cl)N1C[C@@H]2CC[C@H](C1)O2	86894445	GHUCFXDDBIMKKN-OLQVQODUSA-N	175.615	1.208	50	30	ADGC	
ClCc1ncc(Br)[nH]1	757122080	USYJUPTYJUNPEH-UHFFFAOYSA-N	195.447	1.911	50	30	ADGC	
C[Si](C)(C)OCCC#N	195791999	CPOJJARBCZIKQQ-UHFFFAOYSA-N	143.262	1.752	50	30	ADGC	
CC(C)(C)OC(=O)[C@@H](Cl)C#N	75565822	ZDLQYYNXTWSHJU-YFKPBYRVSA-N	175.615	1.459	50	30	ADGC	
COc1cncc(CCl)n1	83119810	CUOBMFQXBQHUFA-UHFFFAOYSA-N	158.588	1.224	50	30	ADGC	in-vitro
C[C@@H]1[C@H](Cl)[C@H]1C=O	306751328	LHCBRMWQXDQUHC-YUPRTTJUSA-N	118.563	1.059	50	30	ADGC	in-vitro
COc1ccc(C=C(C#N)C#N)cn1	39090171	VPKOXQZXDIRXLS-UHFFFAOYSA-N	185.186	1.521	50	30	ADGC	
CS[C@H](CCl)C(=O)O	104736031	LFENQFINLUIROU-GSVOUGTGSA-N	154.618	1.041	50	30	ADGC	
[C-]#[N+]CCC1CC1	106561854	MVMVOWOCLWRCEH-UHFFFAOYSA-N	95.145	1.706	50	30	ADGC	
BrCCc1cnoc1	118341046	TVOAIAJFFMWTNV-UHFFFAOYSA-N	176.013	1.612	50	30	ADGC	in-vitro
O[C@H]1CCCC[C@@H]1CBr	196208129	FOOFFSRIPHRYFO-RQJHMYQMSA-N	193.084	1.932	50	30	ADGC	
C[C@H]1CCC[C@H](N=C=O)C1	62822015	UJVPXDHXSWWVTJ-YUMQZZPRSA-N	139.198	1.901	50	30	ADGC	
C[C@]12C=CCC[C@@H]1C(=O)OC2=O	100108990	CSHJJWDAZSZQBT-MUWHJKNJSA-N	166.176	1.042	50	30	ADGC	
C[C@@]1(CBr)CCCO1	87230395	FCRGNIOWVNCUGM-LURJTMIESA-N	179.057	1.950	50	30	ADGC	in-vitro
O=[S@@](Cl)OCCCF	95678299	VHWOGCZOYFJDEJ-QMMMGPOBSA-N	160.597	1.180	50	30	ADGC	
COC(=O)[C@@H]1CCC[C@@H](N=C=O)C1	95883641	WLMBUNJMERBCDA-HTQZYQBOSA-N	183.207	1.054	50	30	ADGC	
O=[S@](Cl)CC(F)F	575461542	RQJKWBNFKCTQFK-ZETCQYMHSA-N	148.561	1.154	50	30	ADGC	
CC(=O)[C@H](Cl)C(C)C	36455704	OLBUMMGFVTVKFF-ZCFIWIBFSA-N	134.606	1.839	50	30	ADGC	
C[C@@H]1C[C@@H]1Br	113240260	GASITZKLSRHTRE-DMTCNVIQSA-N	135.004	1.790	50	30	ADGC	
C[C@H](Cl)C(=O)CCl	5734648	HAOIWZWGAUKVBO-VKHMYHEASA-N	140.997	1.422	50	30	ADGC	
C[C@]1(C(=O)Cl)C[C@@H]1Cl	39056042	CWGMHTUESZWIPO-UCORVYFPSA-N	153.008	1.769	50	30	ADGC	
N#C[C@H](O)C(F)(F)c1ccccc1	137515908	IPDOYORDOKWYNV-QMMMGPOBSA-N	183.157	1.663	50	30	ADGC	
Nc1ncc(CCCl)s1	34111690	UOHGVGVADGKJMO-UHFFFAOYSA-N	162.645	1.507	50	30	ADGC	
COC[C@H](C)Cl	53199441	SIBFNWWZWOVJJH-BYPYZUCNSA-N	108.568	1.260	50	30	ADGC	
CO[C@H](CBr)C1CC1	150240146	INUCUAQICVRCSY-ZCFIWIBFSA-N	179.057	1.806	50	30	ADGC	
O=CC1=CCC[C@@H]2C[C@]12C=O	5134524	SGBMCPLPBYSHKJ-VXNVDRBHSA-N	150.177	1.111	50	30	ADGC	
O=CCCI	145769627	RDAOTCDCHAKJAP-UHFFFAOYSA-N	183.976	1.010	50	30	ADGC	in-vitro
CCCCOO	59450157	AKUNSTOMHUXJOZ-UHFFFAOYSA-N	90.122	1.276	50	30	ADGC	
O=C(O)C(=O)CCCCCCCl	104392838	PXSUXATXOJIUKU-UHFFFAOYSA-N	192.642	1.829	50	30	ADGC	
O=C=NC1CC(F)(F)C1	107268287	KNGUWKBLWSRYCV-UHFFFAOYSA-N	133.097	1.120	50	30	ADGC	
CC[C@@H]1O[C@@H]1CBr	118695930	LKYCAAULXGRNFC-CRCLSJGQSA-N	165.030	1.559	50	30	ADGC	
CC[C@H](C)[C@H](Cl)C(=O)OC	50978158	MRRYXOOOYHVKPE-WDSKDSINSA-N	164.632	1.813	50	30	ADGC	
CC(C)C[C@@]1(C)CC(=O)OC1=O	59093779	STCQBUQMHAHLHG-VIFPVBQESA-N	170.208	1.512	50	30	ADGC	in-vitro
CC(=O)N[C@@]1(C#N)CC[C@H](Cl)C1	104458940	RKIXDLRUDHZQFP-YUMQZZPRSA-N	186.642	1.176	50	30	ADGC	
O=C(O)c1csc(CCl)n1	140676016	AYARGRVHYSZRRW-UHFFFAOYSA-N	177.612	1.580	50	30	ADGC	
Cc1cc(CCl)oc(=O)c1	34304221	LUIDLGSVCGOJGK-UHFFFAOYSA-N	158.584	1.687	50	30	ADGC	
COc1nc(C)cc(CCl)n1	238371680	UVFRLSKCHPNEOO-UHFFFAOYSA-N	172.615	1.532	50	30	ADGC	
CN1CCC(OC(=O)Cl)CC1	34361459	FKTCBHHHFUUZDI-UHFFFAOYSA-N	177.631	1.456	50	30	ADGC	
CN1CCCC/C1=C\C#N	39078254	JWGIYPITWNRSID-VMPITWQZSA-N	136.198	1.510	50	30	ADGC	
N#C[C@H](O)C(Cl)(Cl)Cl	95762530	UFVLRHXFRXZBHS-REOHCLBHSA-N	174.414	1.241	50	30	ADGC	
CO[C@@H]1CCC[C@@H](C(=O)Cl)C1	4267823	JOZLFZQRVYHFFA-RNFRBKRXSA-N	176.643	1.957	50	30	ADGC	in-vitro
COc1cccc(N=C=O)c1C	107456493	OOSXXMRVOYQUBM-UHFFFAOYSA-N	163.176	1.971	50	30	ADGC	
CC(C)CC[S@@](=O)Cl	201347467	PITKZVSTELAQAI-MRVPVSSYSA-N	154.662	1.935	50	30	ADGC	
Cc1nocc1C(=O)Cl	34082513	ABESPALKZKANIA-UHFFFAOYSA-N	145.545	1.362	50	30	ADGC	
CC(C)(C)[C@@H](O)CCl	36447800	RAZKFVKCTUWXHO-YFKPBYRVSA-N	136.622	1.632	50	30	ADGC	in-vitro
CCn1nc(C)cc1C(=O)N=C=S	85166135	MRYHOPQQXMCCLI-UHFFFAOYSA-N	195.247	1.454	50	30	ADGC	
Cc1cc(C[C@@H](C)Cl)[nH]n1	39134057	ZKJUZBKLUTVQOU-RXMQYKEDSA-N	158.632	1.888	50	30	ADGC	
O=C(Cl)C12CC(F)(C1)C2	39055937	RFBPCNIRYUWXTJ-UHFFFAOYSA-N	148.564	1.644	50	30	ADGC	
O=C(Cl)Nc1ccncc1	95347797	LKZKNUTZBQOMGE-UHFFFAOYSA-N	156.572	1.852	50	30	ADGC	
C=CC(=O)CCCCl	2579442	XZXHHPIOXXQSGT-UHFFFAOYSA-N	132.590	1.761	50	30	ADGC	in-vitro
N#Cc1ccc([C@@H](O)C#N)cc1	100893766	RKXDJWPWCJQMKO-VIFPVBQESA-N	158.160	1.115	50	30	ADGC	
O=C(Cl)OC[C@@H]1CCCO1	140713874	JUEYJVZDCUZWDX-YFKPBYRVSA-N	164.588	1.541	50	30	ADGC	in-vitro
CC[C@H]1C[C@@H]2C(=O)OC(=O)[C@@H]2C1	306585494	KFBVRXMOWPMGTH-POBXSPIYSA-N	168.192	1.122	50	30	ADGC	
C[C@@]1(CN)C[C@@H]1Br	238492501	QCKWPWCTVIBNIY-WHFBIAKZSA-N	164.046	1.119	50	30	ADGC	
CC(=O)[C@H](Cl)C(C)(C)F	45820019	GNPVTRCZTHCZKY-YFKPBYRVSA-N	152.596	1.931	50	30	ADGC	
C[C@@H]1CCN(C(=O)Cl)C1	86894001	RWPQKMJZJUTLNC-RXMQYKEDSA-N	147.605	1.687	50	30	ADGC	in-vitro
O=NN1CCC[C@H](Cl)C1	27865074	KWWLFIMAJYMXDK-YFKPBYRVSA-N	148.593	1.371	50	30	ADGC	
CCn1nncc1CCl	95774092	NBARMCNHMBEJNB-UHFFFAOYSA-N	145.593	1.037	50	30	ADGC	
C/C=C/CN=C=S	2528184	UGEDVXMHNFVZKR-NSCUHMNNSA-N	113.185	1.665	50	30	ADGC	
C[C@@H](Cl)c1nc(-c2nc[nH]n2)no1	20594202	OXXDLZHCKFTFQU-GSVOUGTGSA-N	199.601	1.155	50	30	ADGC	in-vitro
COc1cc(CCl)sn1	34060616	WOJXWXZQQOQLPP-UHFFFAOYSA-N	163.629	1.891	50	30	ADGC	in-vitro
C[C@H]1C[C@H]1Br	113240265	GASITZKLSRHTRE-IUYQGCFVSA-N	135.004	1.790	50	30	ADGC	
O=C(Cl)c1cc(Cl)c[nH]c1=O	39056952	SXCSSXXDORTUBB-UHFFFAOYSA-N	192.001	1.407	50	30	ADGC	
O[C@H]1CCC[C@H](CCl)C1	104730114	CNBXMNAOXSVAFB-BQBZGAKWSA-N	148.633	1.776	50	30	ADGC	in-vitro
CON=CC(C#N)=Cc1ccc[nH]1	2265224242	WBVFUXYMPYQIBJ-UHFFFAOYSA-N	175.191	1.554	50	30	ADGC	
N#C/C=C\c1cccnc1	38864356	CNHMTMHYYONLOV-IWQZZHSRSA-N	130.150	1.618	50	30	ADGC	
O=C(Cl)[C@@H]1C[C@]1(F)Cl	39056024	WZGVBKNUDCKSGB-ZAFYKAAXSA-N	156.971	1.676	50	30	ADGC	
C=C(C)[C@H](Cl)C(=O)OC	238357910	FZUVHZZZCYKCFI-YFKPBYRVSA-N	148.589	1.343	50	30	ADGC	
N[C@H]1CCC[C@H]1Br	74942427	YTSGAVHWZSBZAL-UHNVWZDZSA-N	164.046	1.261	50	30	ADGC	in-vitro
O[C@@H]1CCCC[C@H]1CBr	196208120	FOOFFSRIPHRYFO-NKWVEPMBSA-N	193.084	1.932	50	30	ADGC	
CC(C)(C)OC(=O)CCN=C=O	39570033	IFNFFMRMBNUHNE-UHFFFAOYSA-N	171.196	1.054	50	30	ADGC	in-vitro
C#C[C@](O)(CCl)CCCC	104733100	XEALFIPMTNLHDK-MRVPVSSYSA-N	160.644	1.780	50	30	ADGC	
O[C@H](Cl)C(Cl)Cl	6072482	NIBKDWIGIKUFKL-REOHCLBHSA-N	149.404	1.347	50	30	ADGC	
CC(=O)/C(C#N)=C1/N=C(C)CS1	20421197	HWABEPBPSGHSLT-FPLPWBNLSA-N	180.232	1.518	50	30	ADGC	
CC(C)n1ncnc1CCl	83976977	KHFGFSUYVBJSBK-UHFFFAOYSA-N	159.620	1.598	50	30	ADGC	in-vitro
O=CC1=CCSC=CC1	39060702	HEEFAPUEWCODJI-UHFFFAOYSA-N	140.207	1.762	50	30	ADGC	
CC1(C)OCC(C)(C(=O)Cl)CO1	39056947	SGMJVGKGWSDRCZ-UHFFFAOYSA-N	192.642	1.541	50	30	ADGC	
N#Cc1ncccc1CCl	88189336	NSHRDLJXYGLUCT-UHFFFAOYSA-N	152.584	1.692	50	30	ADGC	
O=C1c2ccccc2O[C@H]1Cl	100301143	BPVFPLAMYJSECH-MRVPVSSYSA-N	168.579	1.827	50	30	ADGC	
O=C(Cl)[C@H](O)c1ccccc1	33986232	PUWQVDWJJCSTLK-SSDOTTSWSA-N	170.595	1.485	50	30	ADGC	
N#C/C=C/c1ccncc1	39051667	ZJUZXVVBRCEDTF-OWOJBTEDSA-N	130.150	1.618	50	30	ADGC	
N#Cc1ccc(CC(=O)Cl)cc1	39209633	XQRSIXZHLWBQOK-UHFFFAOYSA-N	179.606	1.866	50	30	ADGC	
Cn1nc2c(c1C(=O)Cl)CCCC2	45792662	MMBGZHDUHPJZIM-UHFFFAOYSA-N	198.653	1.678	50	30	ADGC	
CC(=O)/C=C(/C)C#N	146822287	UBSMPEDBXKUVKF-HYXAFXHYSA-N	109.128	1.045	50	30	ADGC	
C[C@@H]1CO[C@](C)(CCl)O1	104712812	YSCQRQXPDXMINY-RITPCOANSA-N	150.605	1.377	50	30	ADGC	
ClCc1nccc(N2CCCC2)n1	34267489	BKHHSQPVWCZMBL-UHFFFAOYSA-N	197.669	1.816	50	30	ADGC	
Cc1cnc(CCl)[nH]1	39132765	NCNGAOMBJPQIRJ-UHFFFAOYSA-N	130.578	1.457	50	30	ADGC	
CCC[C@H](Cl)CO	113287235	BSPZHSJUMXYBOD-YFKPBYRVSA-N	122.595	1.386	50	30	ADGC	
NCC1(CBr)CCCC1	98210185	AHWYVJLHHAAOMF-UHFFFAOYSA-N	192.100	1.900	50	30	ADGC	
ClCc1nc(CC2CC2)no1	87579988	YLYSRTMJIFDRKZ-UHFFFAOYSA-N	172.615	1.761	50	30	ADGC	in-vitro
O=C(Cl)N1CCC(F)(F)C1	141387419	BJJAQWMLYMOSNG-UHFFFAOYSA-N	169.558	1.686	50	30	ADGC	
N#C[C@@H](O)CCc1ccccc1	100380142	CUJUQPVHWIDESZ-JTQLQIEISA-N	161.204	1.504	50	30	ADGC	
COC(=O)[C@H](C)[C@H](C)Br	148011702	DLRNLDASULNNIJ-UHNVWZDZSA-N	195.056	1.579	50	30	ADGC	
CCc1nocc1CCl	238851150	FJZSEPHKYYJAJX-UHFFFAOYSA-N	145.589	1.976	50	30	ADGC	
[O-][n+]1ccc(CCl)cc1	39236294	YOCZJJNZPGJJRC-UHFFFAOYSA-N	143.573	1.059	50	30	ADGC	
COc1nscc1CCl	584883943	FVYOAHKLAAGUOX-UHFFFAOYSA-N	163.629	1.891	50	30	ADGC	
CP(C)(=O)CCl	1995250	VACOMSNNWGXHSF-UHFFFAOYSA-N	126.523	1.805	50	30	ADGC	
CC(C)(CBr)CC=O	34364644	QFXWFFSHPAKFHV-UHFFFAOYSA-N	179.057	1.997	50	30	ADGC	
C[C@@H]1O[C@@H]1CBr	39277758	PNKIAICRRFHSBQ-IUYQGCFVSA-N	151.003	1.169	50	30	ADGC	
COc1ccc(N=C=O)c(F)c1	75843798	GMKHEFJLKRCGQC-UHFFFAOYSA-N	167.139	1.802	50	30	ADGC	
Cl[C@H]1CCCO1	5134451	ZVAKZVDJIUFFFP-SCSAIBSYSA-N	106.552	1.362	50	30	ADGC	
[C-]#[N+][C@](C)(CC(C)C)C(=O)OC	95698033	WBBLGBLTTADXTD-SECBINFHSA-N	169.224	1.883	50	30	ADGC	
O=P(O)(O)CCCCCl	96394999	GXPJVKBALJCJKI-UHFFFAOYSA-N	172.548	1.183	50	30	ADGC	
C[C@H]1C[C@@H]1C(=O)OC(=O)[C@H]1C[C@H]1C	252188314	UPWQEUMJRMEGGL-YWIQKCBGSA-N	182.219	1.368	50	30	ADGC	
O=C(Cl)N1CCSC1	101454207	KUVRVAWPKXIMGL-UHFFFAOYSA-N	151.618	1.352	50	30	ADGC	
O=C=NCc1ccccc1CN=C=O	100287299	FKTHNVSLHLHISI-UHFFFAOYSA-N	188.186	1.358	50	30	ADGC	
CO[C@H]1C[C@H]1Br	238368710	BLBYSMUZLRWJHM-DMTCNVIQSA-N	151.003	1.169	50	30	ADGC	
ClCC#Cc1cncs1	575450771	IPAFBOMNCONQBH-UHFFFAOYSA-N	157.625	1.733	50	30	ADGC	
C[C@H](Cc1ccccc1)N=C=O	19784182	JWGFMJHWOOMGMK-SECBINFHSA-N	161.204	1.953	50	30	ADGC	in-vitro
CCC[C@@]1(C(=O)Cl)CCOC1=O	39056893	XNIQBHZVJQWXOP-QMMMGPOBSA-N	190.626	1.485	50	30	ADGC	
C=CCN(CC=C)NC(=O)CCC	39126048	YURNNMYVQFIFTB-UHFFFAOYSA-N	182.267	1.492	50	30	ADGC	
COC(=O)C[C@H](C)CBr	34226498	GQZJJQSGDFIXQM-YFKPBYRVSA-N	195.056	1.581	50	30	ADGC	
CC1=C(C=O)C(C)(C)C=C[C@@H]1O	196194833	OUNYGIXTYVQPLW-VIFPVBQESA-N	166.220	1.459	50	30	ADGC	
CN(CC1CC1)C(=O)Cl	218927661	WELYHWSOZMKUDC-UHFFFAOYSA-N	147.605	1.687	50	30	ADGC	
CCOc1ncc(CCl)cn1	238264475	PVNDOHAIPLXNTA-UHFFFAOYSA-N	172.615	1.614	50	30	ADGC	
Cc1cccc(C(=O)N=C=O)c1	19408033	NJFVOTWKXBGOKY-UHFFFAOYSA-N	161.160	1.471	50	30	ADGC	
C/C=C(/C=O)CSC	38613971	IBSLHWQWKUNIJE-UTCJRWHESA-N	130.212	1.495	50	30	ADGC	
CC(C)(C)n1ncnc1CCl	229983074	HQKZWTJJXLUHIU-UHFFFAOYSA-N	173.647	1.772	50	30	ADGC	in-vitro
CCCC(C)(C)N=C=O	145217485	FIYUGTLHBRHIKJ-UHFFFAOYSA-N	127.187	1.901	50	30	ADGC	
O=C1c2ccccc2O[C@@H]1Cl	95931809	BPVFPLAMYJSECH-QMMMGPOBSA-N	168.579	1.827	50	30	ADGC	
O=C/C=C1\C=CSS1	137818691	BGIQCSQHRFJPFU-ORCRQEGFSA-N	144.220	1.978	50	30	ADGC	
CCC1C[C@H]2C(=O)OC(=O)[C@@H]2C1	306585496	KFBVRXMOWPMGTH-RNFRBKRXSA-N	168.192	1.122	50	30	ADGC	
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1Cl	39415653	LWHALVREUDNLSQ-GJMOJQLCSA-N	187.670	1.673	50	30	ADGC	
CN(C(=O)Cl)C1CC1	82410938	LDSGUMIQVUMQIM-UHFFFAOYSA-N	133.578	1.439	50	30	ADGC	
C[C@H]1CO[Si](C)(C)C1	195831630	FDTCKQAXTOUSOP-LURJTMIESA-N	130.263	1.858	50	30	ADGC	
O=C1OC(=O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]12	2265347472	BRHQMPOFCRGJCM-YWIQKCBGSA-N	180.203	1.122	50	30	ADGC	
CC(C=O)=C(Cl)Cl	33505683	XVHFVDJGJGNESS-UHFFFAOYSA-N	138.981	1.894	50	30	ADGC	
O=C(Cl)c1cc(Cl)nnc1O	39056997	GLNSJGWKYCJNIR-UHFFFAOYSA-N	192.989	1.215	50	30	ADGC	
O=C(CBr)[C@H]1CC1(F)F	95774643	MQTZMYKVBVLRHW-GSVOUGTGSA-N	198.994	1.606	50	30	ADGC	
CC(=O)[C@H](Cl)C(=O)OC(C)C	103840627	XHUMMHPAJGZLFR-LURJTMIESA-N	178.615	1.134	50	30	ADGC	
C[C@H]1C[C@@H]1Br	113240261	GASITZKLSRHTRE-IMJSIDKUSA-N	135.004	1.790	50	30	ADGC	
CC1(C)CC[C@@H]1N=C=O	306598184	PHLVNABTABMIGU-LURJTMIESA-N	125.171	1.511	50	30	ADGC	
O=C(NCCl)c1ccccc1	20361719	CIUJQWLLGXKZQD-UHFFFAOYSA-N	169.611	1.613	50	30	ADGC	
Cn1nccc1CN=C=S	70905219	FBBCXHQHFITYKB-UHFFFAOYSA-N	153.210	1.023	50	30	ADGC	
CO[C@]1(CBr)CCOC1	307385470	IJJCVAQOXKZKAR-LURJTMIESA-N	195.056	1.187	50	30	ADGC	
CC[C@@]1(C)OC(=O)N/C1=C/C#N	100246907	LAFSMRRWJJUUEP-YZCDNWJKSA-N	166.180	1.302	50	30	ADGC	
C[C@@H]1C[C@@H]1N=C=S	52289539	FEXIFGCTJNAXRN-UHNVWZDZSA-N	113.185	1.498	50	30	ADGC	
Cn1c(CCl)nnc1C(F)(F)F	136314633	CHOQGKRXVQWOKE-UHFFFAOYSA-N	199.563	1.573	50	30	ADGC	
C[C@@H](Br)CCC(=O)O	34589405	XILQGXZARXHSEI-SCSAIBSYSA-N	181.029	1.635	50	30	ADGC	in-vitro
O=C1OC(=O)[C@@H](c2ccccc2)O1	59227972	CEJWBKYULAPCRN-SSDOTTSWSA-N	178.143	1.421	50	30	ADGC	
C[C@H](Cl)c1nccc(N)n1	87736119	GYRPNAFKRXTCSA-BYPYZUCNSA-N	157.604	1.359	50	30	ADGC	
O=C(Cl)C(=O)c1ccccn1	39054790	OOZYCWZJPHWJSX-UHFFFAOYSA-N	169.567	1.030	50	30	ADGC	
CN1CCC[C@H](CCCl)C1	71062319	XDVWOTOPYNSYDL-MRVPVSSYSA-N	161.676	1.957	50	30	ADGC	
CP(C)(=O)Br	197174740	OPAQIMUKVFWWHE-UHFFFAOYSA-N	156.947	1.919	50	30	ADGC	
C[C@H]1CC(=O)[C@H]1Br	223716408	OKKJSIHCVICEGI-UCORVYFPSA-N	163.014	1.359	50	30	ADGC	
S=C=NCc1ccon1	78210621	WKTAYSDRKVYDLI-UHFFFAOYSA-N	140.167	1.277	50	30	ADGC	in-vitro
CN(C(=O)Cl)c1ccccn1	36466502	CDYQYIQELHTNOL-UHFFFAOYSA-N	170.599	1.877	50	30	ADGC	
COC12CCC(CC1)[C@](O)(C#N)C2	95742788	KYGOJTUQFGHOKL-UDNWOFFPSA-N	181.235	1.220	50	30	ADGC	
C=C(C)COC(=O)Cl	5158297	MGDDPXJDBGFXCY-UHFFFAOYSA-N	134.562	1.938	50	30	ADGC	
C[C@@H](Cl)C(=O)CCl	5751066	HAOIWZWGAUKVBO-GSVOUGTGSA-N	140.997	1.422	50	30	ADGC	
CCN(C(=O)CCl)C(C)C	37082062	DOAATEMCJMFKFS-UHFFFAOYSA-N	163.648	1.482	50	30	ADGC	
CC(C)(OCCCl)C(=O)O	148585355	CKWWYRURKRTXQT-UHFFFAOYSA-N	166.604	1.105	50	30	ADGC	
CC(C)(C)/C=N/NC(=O)C1CC1	164970	QVXDVVROGIEVLJ-UXBLZVDNSA-N	168.240	1.545	50	30	ADGC	
CCc1cc(C(=O)Cl)on1	39056133	VEQKLNJBUGWJPV-UHFFFAOYSA-N	159.572	1.616	50	30	ADGC	
C1OCSS1	96328542	MDKRMUNATNFGGA-UHFFFAOYSA-N	108.187	1.313	50	30	ADGC	
N#Cc1ccc([C@H](O)C#N)cc1	100893765	RKXDJWPWCJQMKO-SECBINFHSA-N	158.160	1.115	50	30	ADGC	
CCC[C@@H](CC)N=C=O	62822065	DNBQKIFNYIZSRX-SSDOTTSWSA-N	127.187	1.901	50	30	ADGC	
ClCCc1cncs1	3631343	HIQGSQJWWYBZFY-UHFFFAOYSA-N	147.630	1.924	50	30	ADGC	
CN1CCC/C1=C/C#N	100047812	ISCVFPUOTPSSOQ-DAXSKMNVSA-N	122.171	1.119	50	30	ADGC	
C#CCOCCOC(=O)Cl	958720347	SDKKABOPJFCRFP-UHFFFAOYSA-N	162.572	1.012	50	30	ADGC	
C[C@@H](I)C#N	34574558	MEKNBSXCEMCLHJ-GSVOUGTGSA-N	180.976	1.333	50	30	ADGC	
C=C(C)[C@H](Br)CO	82164725	QCSFJBXMSHFOGX-RXMQYKEDSA-N	165.030	1.318	50	30	ADGC	in-vitro
CC(C)(C)OCC(=O)Cl	34306556	RDROWVNDBINEAG-UHFFFAOYSA-N	150.605	1.567	50	30	ADGC	in-vitro
O=C(CBr)c1ccon1	87224635	LBLQLLDXYAESSQ-UHFFFAOYSA-N	189.996	1.252	50	30	ADGC	
C=COC(=O)C(Cl)Cl	5194103	ZBCLTORTGNOIGM-UHFFFAOYSA-N	154.980	1.477	50	30	ADGC	
N#CC(C#N)=Cc1c[nH]c2ncccc12	5997704	AICASHFWBSAACD-UHFFFAOYSA-N	194.197	1.993	50	30	ADGC	
C[C@@H](Cl)C(=O)CCC(=O)O	96330993	KHYKLLDZYPHYIR-SCSAIBSYSA-N	164.588	1.048	50	30	ADGC	
CC(O)(CCl)CCl	104724914	UZHWBXUQTDSMGJ-UHFFFAOYSA-N	143.013	1.215	50	30	ADGC	
CN(C)CCCCN=C=S	34562696	TWOLPRDFESLZPP-UHFFFAOYSA-N	158.270	1.431	50	30	ADGC	in-vitro
C[C@@H]1CCC[C@@H](N=C=O)C1	62822016	UJVPXDHXSWWVTJ-HTQZYQBOSA-N	139.198	1.901	50	30	ADGC	
O=C=Nc1cc(C2CC2)no1	39112824	WCMCKOGFNSLEKZ-UHFFFAOYSA-N	150.137	1.519	50	30	ADGC	
C=C(C#N)N[Si](C)(C)C	195761409	UWJHKNQUQVOBQC-UHFFFAOYSA-N	140.262	1.448	50	30	ADGC	
C=C(C#N)[C@@H](C)OC(=O)OC	38312215	UFIUXQFAGXJEBJ-ZCFIWIBFSA-N	155.153	1.238	50	30	ADGC	in-vitro
CC(=O)CC/C=C(/C)C#N	39068776	SWDKVHPBZCGTFB-DAXSKMNVSA-N	137.182	1.825	50	30	ADGC	
O[C@H]1CC[C@@H](Br)C1	39111755	NYSPEDOPWWKUSB-UHNVWZDZSA-N	165.030	1.295	50	30	ADGC	
CC(C)OC(=O)CCCCl	22002272	JNUHPPXYHXKRFA-UHFFFAOYSA-N	164.632	1.957	50	30	ADGC	
O[C@@H](Cl)C(Cl)Cl	44307616	NIBKDWIGIKUFKL-UWTATZPHSA-N	149.404	1.347	50	30	ADGC	
C[C@]1(C(=O)O)C[C@@H]1Cl	33608852	UDAHHJRBNYAHSW-UCORVYFPSA-N	134.562	1.088	50	30	ADGC	
CCN(C)CCBr	39082333	VALLUICIYNOTCF-UHFFFAOYSA-N	166.062	1.333	50	30	ADGC	
Cn1cncc1-c1noc(CCl)n1	126009347	YYDHGQGXJAYQJU-UHFFFAOYSA-N	198.613	1.209	50	30	ADGC	in-vitro
CC[C@@H](Br)C(OC)OC	38251751	OXJUWNGIXKTRMK-RXMQYKEDSA-N	197.072	1.779	50	30	ADGC	
CC(=O)CC[C@H](C)Cl	32302506	FITVUNRTODZJID-YFKPBYRVSA-N	134.606	1.983	50	30	ADGC	
N[C@H]1CCCC[C@H]1Cl	1698021	RTZWBJIYBWNJMR-RITPCOANSA-N	133.622	1.495	50	30	ADGC	
COC[C@@H](C)OC(=O)Cl	39592442	ZMNJVBZJWSGGMG-SCSAIBSYSA-N	152.577	1.397	50	30	ADGC	in-vitro
CC1(C(=O)O)CSSC1	90685269	CDYNUBURGFMPLE-UHFFFAOYSA-N	164.251	1.472	50	30	ADGC	
C[C@H]1CCC(=O)OC(=O)C1(C)C	100126730	VBDYRRJQXUOMHF-LURJTMIESA-N	170.208	1.512	50	30	ADGC	
CC#CCI	82880108	LKAIOZOVAZYTRN-UHFFFAOYSA-N	179.988	1.445	50	30	ADGC	in-vitro
C[Si]1(C)CCCOCCO1	575444932	QFAKPIBJQMIKPP-UHFFFAOYSA-N	160.289	1.628	50	30	ADGC	
CC(C)N(C)CCCCl	48650694	MGUSKVMIXPXOLC-UHFFFAOYSA-N	149.665	1.956	50	30	ADGC	
CC(=O)OC/C=C/CCl	140531478	JGFWVESQVZLCCC-NSCUHMNNSA-N	148.589	1.345	50	30	ADGC	
O=C(CCl)Oc1ccc(O)cc1	95080607	MFITYLBRZKZKBS-UHFFFAOYSA-N	186.594	1.536	50	30	ADGC	
O=C(Cl)[C@@H]1CCSC1	69985337	KEAKZRVNHAYHHE-SCSAIBSYSA-N	150.630	1.505	50	30	ADGC	
Cc1ccnnc1CCl	328578864	YDBREJLMCVXNDY-UHFFFAOYSA-N	142.589	1.524	50	30	ADGC	
C[C@H]1[C@H](C(=O)Cl)C1(F)F	39056011	KRAJVHNJWYGQPH-STHAYSLISA-N	154.543	1.653	50	30	ADGC	
C[C@H](Cl)[C@@H](O)CCl	104732655	RCWHZEBSWOBIDT-IMJSIDKUSA-N	143.013	1.213	50	30	ADGC	
CC(=NNC(N)=O)c1ccc(C)cc1	252448258	UORDOKZAZGHLGC-UHFFFAOYSA-N	191.234	1.387	50	30	ADGC	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Cl	39056886	CDYCAPOOETXJGE-NTSWFWBYSA-N	190.626	1.341	50	30	ADGC	
Cc1cnn(C)c1CBr	306997842	AEKYLQHDWQXMQC-UHFFFAOYSA-N	189.056	1.623	50	30	ADGC	
N#C[C@H](Br)C1CC1	127635910	VQBHWDFLINNKOF-YFKPBYRVSA-N	160.014	1.683	50	30	ADGC	
CCCCOCC(=O)Cl	34089466	VDYXCTNJHWITDQ-UHFFFAOYSA-N	150.605	1.569	50	30	ADGC	
COC1(CBr)CC1	687745032	MNAYACVQRWJUGK-UHFFFAOYSA-N	165.030	1.560	50	30	ADGC	
CCCOC(=O)CCCl	2510307	WIOAODPBBXZVNV-UHFFFAOYSA-N	150.605	1.569	50	30	ADGC	
C/C=C(/C#N)CC(C)=O	39068110	PVRVNMFVYPBEFM-XVNBXDOJSA-N	123.155	1.435	50	30	ADGC	
CCc1noc(CBr)n1	88107922	PLKATMVLFDTGGI-UHFFFAOYSA-N	191.028	1.527	50	30	ADGC	
FC(F)(F)Cn1nncc1CCl	95774083	TXYXACUGEJWBQN-UHFFFAOYSA-N	199.563	1.579	50	30	ADGC	
O=C1C(=O)[C@@H](Cl)CC[C@@H]1Cl	111889010	LVSHXWALSXQHOL-IMJSIDKUSA-N	181.018	1.133	50	30	ADGC	
N#C[C@@H](O)Cc1ccc(F)cc1F	97957413	MGGLYCWZIDBUHT-QMMMGPOBSA-N	183.157	1.392	50	30	ADGC	in-vitro
N#CCc1cccc(CCl)n1	104688166	MVWNYXXABOWKKK-UHFFFAOYSA-N	166.611	1.886	50	30	ADGC	
CC(C)CC(=O)F	141266727	KVFKXDPQHYKWAD-UHFFFAOYSA-N	104.124	1.529	50	30	ADGC	
O=[S@@](Cl)C1CCC1	675067380	BTXFCJKOPVPUBV-SSDOTTSWSA-N	138.619	1.441	50	30	ADGC	
C[N@+]1(CCCl)CCCO1	255998676	RCIREBHCXAIKEN-MRVPVSSYSA-N	150.629	1.007	50	30	ADGC	
C[C@H]1CCN1C(=O)Cl	606242405	BDZSOZGNXGZREG-BYPYZUCNSA-N	133.578	1.439	50	30	ADGC	
N#Cc1ccc(N=C=O)cc1C#N	75557361	CSBWNMCRMYMZMS-UHFFFAOYSA-N	169.143	1.397	50	30	ADGC	
COC(=O)[C@@H]1C[C@H]1CBr	149883797	AGOMZUJFFMCWFQ-CRCLSJGQSA-N	193.040	1.190	50	30	ADGC	
O=C(CCl)c1ccsn1	575460680	MJLQWPYBCZEBFF-UHFFFAOYSA-N	161.613	1.565	50	30	ADGC	
CC[C@@H](CBr)OC	32161658	ZDWMGSKUKFNYCX-YFKPBYRVSA-N	167.046	1.806	50	30	ADGC	
CCN(C[C@@H](C)C#N)C(=O)CCl	37654216	TVVPJGXZGOPTSI-ZETCQYMHSA-N	188.658	1.233	50	30	ADGC	in-vitro
COC(=O)C1(C(=O)Cl)CCCC1	90513073	YDMQDQGSIOTBLN-UHFFFAOYSA-N	190.626	1.485	50	30	ADGC	
Cc1cnc(CCl)c(C)n1	90400358	VOMKULVQCXDFQL-UHFFFAOYSA-N	156.616	1.832	50	30	ADGC	
COc1nnc(CCCl)s1	96300579	USMSWADEUHQNFP-UHFFFAOYSA-N	178.644	1.328	50	30	ADGC	in-vitro
N#CC1=CC[C@@H](C(=O)O)CC1	39066132	GIEWKRCILCGJSG-SSDOTTSWSA-N	151.165	1.321	50	30	ADGC	
CC12CCCC(C(=O)NN)(CCC1)C2	136302	SETNTRQZAYZVJM-UHFFFAOYSA-N	196.294	1.727	50	30	ADGC	
BrC[C@@H]1C[C@H]2CC[C@H]1O2	238855948	UHZMGDQVYYPBQQ-RRKCRQDMSA-N	191.068	1.949	50	30	ADGC	
O=C(Cl)N1CC=C[C@@H](Cl)C1	584883964	UXWKOSVCVBPGSM-RXMQYKEDSA-N	180.034	1.824	50	30	ADGC	
CC(C)CC(=O)Br	2510300	LBXKQIWKQYEXRO-UHFFFAOYSA-N	165.030	1.954	50	30	ADGC	
CN1CC=C(CBr)CC1	2548473	HFXFCEGAPQZGER-UHFFFAOYSA-N	190.084	1.643	50	30	ADGC	
C[C@@](F)(CBr)C(=O)O	138825993	RXCJKSVUZGAPPK-SCSAIBSYSA-N	184.992	1.194	50	30	ADGC	
COC(=O)c1cnoc1CCl	238337472	YRJZWFGFKOUKJY-UHFFFAOYSA-N	175.571	1.200	50	30	ADGC	in-vitro
C[C@@H](O)CCCCCl	2526565	LDIPECSHAACCTQ-ZCFIWIBFSA-N	136.622	1.776	50	30	ADGC	
CC(C)CCCN=C=O	39270612	JZRKHDXSWFGREU-UHFFFAOYSA-N	127.187	1.758	50	30	ADGC	
NC1CC(CBr)C1	575453182	HFJYIBSNZVHJEZ-UHFFFAOYSA-N	164.046	1.119	50	30	ADGC	
COC(F)(F)CCl	2040624	AQKCWZOXYGNDRI-UHFFFAOYSA-N	130.521	1.464	50	30	ADGC	
COC(=O)C[C@@H](C)CBr	34226499	GQZJJQSGDFIXQM-RXMQYKEDSA-N	195.056	1.581	50	30	ADGC	
CC1(C)CC(CCl)=NO1	104688019	ADBFLWKOYIBFQR-UHFFFAOYSA-N	147.605	1.780	50	30	ADGC	
CC(C)(CBr)CCO	59706743	HSAPDUNTYHLOMC-UHFFFAOYSA-N	181.073	1.790	50	30	ADGC	
CC[C@H](Cl)C(C)=O	5921922	CKSIBFLEDRJUTN-YFKPBYRVSA-N	120.579	1.593	50	30	ADGC	
ClCc1nnnn1C1CCC1	54744052	BFIDHAGNSMWGLS-UHFFFAOYSA-N	172.619	1.137	50	30	ADGC	in-vitro
ClCc1nc2c(o1)CCOC2	95762482	MGYSQRDPKHQFLD-UHFFFAOYSA-N	173.599	1.486	50	30	ADGC	
CC(C)(C)OC(=O)N(N)CC1CC1	95912913	WTWJZIAMVJTVKN-UHFFFAOYSA-N	186.255	1.507	50	30	ADGC	
O=C(F)c1ccc(F)cc1	32136898	GIQURHRJQIPDKM-UHFFFAOYSA-N	142.104	1.935	50	30	ADGC	
O=C([C@H](F)Cl)C(F)(F)F	39125798	WOZVJXPRDKSTSX-REOHCLBHSA-N	164.485	1.652	50	30	ADGC	
CS(=O)(=O)c1ccccc1N=C=O	107464270	JEVNCLDYDSYARG-UHFFFAOYSA-N	197.215	1.057	50	30	ADGC	
C[C@@]1(CN)C[C@H]1Br	238492592	QCKWPWCTVIBNIY-UHNVWZDZSA-N	164.046	1.119	50	30	ADGC	
COc1noc(C)c1CCl	38251101	AIAXEKOVIPQUEY-UHFFFAOYSA-N	161.588	1.730	50	30	ADGC	
CC(=O)[C@@H](Cl)C(C)(C)F	45820022	GNPVTRCZTHCZKY-RXMQYKEDSA-N	152.596	1.931	50	30	ADGC	
CC(C)(C)[C@H](O)CCl	36447799	RAZKFVKCTUWXHO-RXMQYKEDSA-N	136.622	1.632	50	30	ADGC	in-vitro
C[C@](F)(CBr)C(=O)O	138826111	RXCJKSVUZGAPPK-BYPYZUCNSA-N	184.992	1.194	50	30	ADGC	
ClC1CCC2(CC1)OCCO2	143045820	BYHPLTNQVPWHQW-UHFFFAOYSA-N	176.643	1.911	50	30	ADGC	
O=C(OCCl)C1CCCC1	34412825	QNIGGKIEVXZSTH-UHFFFAOYSA-N	162.616	1.916	50	30	ADGC	
COc1ccc(F)cc1N=C=O	71496105	XJLIJWMMIGSMED-UHFFFAOYSA-N	167.139	1.802	50	30	ADGC	
CC[C@H](C#N)CBr	63064615	MYGHSIUWISNFEI-YFKPBYRVSA-N	162.030	1.931	50	30	ADGC	in-vitro
COC(=O)c1cc(CCCl)on1	2265381528	YCTJJKRUSVDMJW-UHFFFAOYSA-N	189.598	1.243	50	30	ADGC	
CCC(C)(OO)OO	80589929	GIHSGBFMYFAEDX-UHFFFAOYSA-N	122.120	1.092	50	30	ADGC	
NCC1CCC(Cl)CC1	212323160	XMJRBKPJJIGMPN-UHFFFAOYSA-N	147.649	1.743	50	30	ADGC	
CN1CCC(CCCl)CC1	142393662	GEESGZXBPQEFBQ-UHFFFAOYSA-N	161.676	1.957	50	30	ADGC	
C[C@H]1C[C@@H]1N=C=S	52289542	FEXIFGCTJNAXRN-WHFBIAKZSA-N	113.185	1.498	50	30	ADGC	
CCOC(=O)[C@H]1C[C@@H]1Br	98178248	SAZVRBIIIQJYQT-WHFBIAKZSA-N	193.040	1.333	50	30	ADGC	
C/C(O)=C\C(C)(C)OO	100041724	SYHWNFZGDZVXGN-SNAWJCMRSA-N	132.159	1.716	50	30	ADGC	
O=C(Cl)N1C[C@H]2CC[C@H]2C1	39056071	XBGXAONDHMFSCO-OLQVQODUSA-N	159.616	1.687	50	30	ADGC	
C=C[Si](C)(C)OC(C)=O	195764348	KTVHXOHGRUQTPX-UHFFFAOYSA-N	144.246	1.480	50	30	ADGC	
CC[C@H](Br)C#N	39415780	CIBGXJVJPZCMFX-BYPYZUCNSA-N	148.003	1.683	50	30	ADGC	
O=C=NC1=CCCC1	36455671	HFMLPDMBRIECDB-UHFFFAOYSA-N	109.128	1.390	50	30	ADGC	
ClC[C@H]1CCCCCN1	104605126	VGKYYXUGBFQQMC-SSDOTTSWSA-N	147.649	1.757	50	30	ADGC	
O=C=NC(C(F)(F)F)C(F)(F)F	140354168	LMANEPOTDUUVCO-UHFFFAOYSA-N	193.046	1.815	50	30	ADGC	
Cc1ccc(CBr)nn1	147321950	HXWMQKZXWPJHGZ-UHFFFAOYSA-N	187.040	1.680	50	30	ADGC	
O=[S@](Cl)OCCCF	95678301	VHWOGCZOYFJDEJ-MRVPVSSYSA-N	160.597	1.180	50	30	ADGC	
CC1=NN(C)C(=S)[C@@H]1C(=O)Cl	100104623	XPWUKACTKUWAJO-BYPYZUCNSA-N	190.655	1.017	50	30	ADGC	
O=C1OC(=O)[C@@]23CCCC[C@@]12CC3	148141489	LBQXEDICLDLBGC-AOOOYVTPSA-N	180.203	1.410	50	30	ADGC	
C/C(Cl)=C\C=O	13517488	JWNQGFDMJRAGNA-DUXPYHPUSA-N	104.536	1.328	50	30	ADGC	
C[C@@H]1CCC(=O)OC(=O)C1(C)C	100126727	VBDYRRJQXUOMHF-ZCFIWIBFSA-N	170.208	1.512	50	30	ADGC	
[C-]#[N+]C1(C(=O)OCC)CC1	73333442	AGOFNLJNXSXUEM-UHFFFAOYSA-N	139.154	1.001	50	30	ADGC	
C=CN(C)C(=O)Cl	145908135	CKRIMKVQRRHFSW-UHFFFAOYSA-N	119.551	1.421	50	30	ADGC	
COC(=O)c1cnc(CCl)cn1	238329936	HUAGKUGEFPOCPM-UHFFFAOYSA-N	186.598	1.002	50	30	ADGC	in-vitro
CCC(=O)CCCCl	39392880	AOBIDPSDYVJCOT-UHFFFAOYSA-N	134.606	1.985	50	30	ADGC	in-vitro
C[C@@H](Cl)c1ncno1	40863655	VSIPORBCZAHKKW-GSVOUGTGSA-N	132.550	1.369	50	30	ADGC	in-vitro
CN(CCF)CCBr	31273294	YIKWUNYEHWRWQU-UHFFFAOYSA-N	184.052	1.283	50	30	ADGC	
Cc1oc(CO)cc1C(=O)Cl	39056458	NNQCOTUPYDSVNX-UHFFFAOYSA-N	174.583	1.459	50	30	ADGC	
CN(C)C1CCC(C(=O)Cl)CC1	39056846	VCLBDXRDDJEBDT-UHFFFAOYSA-N	189.686	1.872	50	30	ADGC	
C#CCN1CCC/C1=C\C#N	39079595	KLLIOSKRCZSPCQ-WEVVVXLNSA-N	146.193	1.123	50	30	ADGC	
O=[S@](Cl)C1CC1	118625916	HTIPMEXSSYTVJJ-ZCFIWIBFSA-N	124.592	1.051	50	30	ADGC	
CC(C)(C)OC(=O)[C@H](Cl)C#N	75565819	ZDLQYYNXTWSHJU-RXMQYKEDSA-N	175.615	1.459	50	30	ADGC	
O=C1OC(=O)C2(CCC2)N1C1CC1	299805597	WMXUAMKQBUAKHS-UHFFFAOYSA-N	181.191	1.050	50	30	ADGC	
O=C=N[C@@H]1CC1(Cl)Cl	32137273	NPEUVAMEAPSJEM-GSVOUGTGSA-N	151.980	1.268	50	30	ADGC	
COC(=O)N1CC(C#N)=C[C@@H](C)C1	38671872	DZSPRWKXPVNTPE-SSDOTTSWSA-N	180.207	1.154	50	30	ADGC	
CCOC(=O)[C@@H](C)CBr	5856647	VTORDCJYLAYUQF-YFKPBYRVSA-N	195.056	1.581	50	30	ADGC	
CC(C)(F)C(=O)CCl	104154326	UZALWUYLRWEWNQ-UHFFFAOYSA-N	138.569	1.542	50	30	ADGC