smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(/C=N/NC(=O)c2ccco2)c1	231273	MACVGLODWBJGFM-NTEUORMPSA-N	228.251	2.352	50	40	BEGB	
O=c1c2ccccc2nc2n1CC[C@H]2Cl	519067	CGUCKVVMNRSFLG-MRVPVSSYSA-N	220.659	2.080	50	40	BEGB	biogenic
Cc1cccc(NC(=O)NC(=O)CCl)c1C	4218683	VNWDPVNHHXKNBG-UHFFFAOYSA-N	240.690	2.190	50	40	BEGB	
C/C(=N\NC(N)=O)[C@H]1CCCc2ccccc21	5538846	WXHRBMRTHZCPRT-BTAWCLGRSA-N	231.299	2.151	50	40	BEGB	
C[C@@H](Cl)C(=O)N1CCc2ccccc2C1	6047163	QRBPVQFQAWBRAO-SECBINFHSA-N	223.703	2.199	50	40	BEGB	
CC(/C=C\c1ccc(Cl)cc1)=N\NC(N)=O	8655581	UBQZSMHZGXEIDH-ZHDIWNJTSA-N	237.690	2.397	50	40	BEGB	
O=C(Cl)c1ccoc1Br	12370771	CPMHUPWXUHNMPF-UHFFFAOYSA-N	209.426	2.421	50	40	BEGB	
O=C(CCl)NCCC1CCCCC1	37654156	WTKWENBWTLUUOQ-UHFFFAOYSA-N	203.713	2.312	50	40	BEGB	in-vitro
O=C(Cl)c1ccc(-n2cnnc2)cc1Cl	70461756	NWKMYNKTSTXSSI-UHFFFAOYSA-N	242.065	2.300	50	40	BEGB	
CC(C)N(C(=O)CCl)[C@@H](C)c1cnccn1	79435571	ALBVGQSQCOJDOK-VIFPVBQESA-N	241.722	2.013	50	40	BEGB	
COc1cccc(C2(C(=O)Cl)CC2)c1	98213490	ZAFGHSPUPNEHKK-UHFFFAOYSA-N	210.660	2.492	50	40	BEGB	
CCOC(=O)/C(C#N)=C1/C=Cc2ccccc2N1	105250938	QLFOWJDBJSYNSR-QBFSEMIESA-N	240.262	2.466	50	40	BEGB	
CSC(SC)=C(C#N)C(=O)C1CC1	95000	HFXLTHJTTFMAED-UHFFFAOYSA-N	213.327	2.427	50	40	BEGB	
O=C1c2ccc(F)cc2O[C@H]1Br	34485384	PHDSNZATGKPQSG-MRVPVSSYSA-N	231.020	2.122	50	40	BEGB	
CCOc1ccccc1/C=N\NC(=O)C(C)C	58885359	XFZNCRIFOWRYBG-ZROIWOOFSA-N	234.299	2.191	50	40	BEGB	
O=C1OC(=O)[C@@H]2C[C@H](c3ccccc3)CC[C@@H]12	100149429	LZYYSHYKQSQTRW-IJLUTSLNSA-N	230.263	2.270	50	40	BEGB	
O=S(=O)(CCCl)c1ccccc1Cl	1737175	DUGLQZVCUUGYKT-UHFFFAOYSA-N	239.123	2.353	50	40	BEGB	
ClC[C@@H]1CO[C@H](C(Cl)(Cl)Cl)O1	2037898	DADNQTMXKHQSRJ-DMTCNVIQSA-N	239.913	2.337	50	40	BEGB	
C/C(=N/NC(=O)C1CC1)c1ccc(C)cc1	34828262	RGPVYXXNGLFHHS-UVTDQMKNSA-N	216.284	2.245	50	40	BEGB	
N#CC(C#N)=CC1=C(N2CCCC2)CCC1	48512911	OWNUBSMNXZAXRC-UHFFFAOYSA-N	213.284	2.494	50	40	BEGB	
O=C([C@H](Cl)C(F)(F)F)N1CCCCC1	2566567	NWQXWYSHSAXLIU-LURJTMIESA-N	229.629	2.169	50	40	BEGB	
O=C(CCl)N1CC[C@H]2CCCC[C@H]2C1	4218529	DNDCGDMWWJNDNP-ZJUUUORDSA-N	215.724	2.264	50	40	BEGB	in-vitro
O=C=Nc1ccc2c(c1)O[C@@H](F)C(F)(F)O2	39303663	SRKCEJKPHAKVCQ-MRVPVSSYSA-N	231.129	2.314	50	40	BEGB	
CCOC(=O)c1cccnc1CBr	345343	OAHGTHONFSMECO-UHFFFAOYSA-N	244.088	2.153	50	40	BEGB	
COc1ccc(CC(=O)OCCCl)cc1	1615240	KFLORGITLNEWNE-UHFFFAOYSA-N	228.675	2.020	50	40	BEGB	
CC(/C=C/c1cccc(C)c1)=N/NC(N)=O	17141582	JCDOLCQVJBXJCP-FKEISFMISA-N	217.272	2.052	50	40	BEGB	
CC1(C)[C@H]2C[C@H]1C[C@H]1[C@@H]2CC[C@H]2C(=O)OC(=O)[C@H]12	103899864	VGXLDXXABXEBLX-NAFSEIKSSA-N	248.322	2.394	50	40	BEGB	
O=C(Cl)N1CCN(c2ccccc2)C1=O	1566297	PSGBEZYOQCOMKH-UHFFFAOYSA-N	224.647	2.287	50	40	BEGB	
N#CCC(=O)N/N=C/c1ccc2ccccc2c1	6345406	DIEQRSPGGOYRRY-MHWRWJLKSA-N	237.262	2.204	50	40	BEGB	
O=C(CCl)N[C@@H]1CCC[C@H](C(F)(F)F)C1	35222748	YPZAICAWEBJFND-NKWVEPMBSA-N	243.656	2.463	50	40	BEGB	
CCN(Cc1ccccc1OC)C(=O)CCl	79420761	OJEDVZRQJBHEOE-UHFFFAOYSA-N	241.718	2.283	50	40	BEGB	
O=C(CCl)c1ccc([N+](=O)[O-])cc1F	87224227	ANVDDLQWGQOGOR-UHFFFAOYSA-N	217.583	2.155	50	40	BEGB	
CC1=CC(=C(C#N)C#N)C=C(/C=C/N(C)C)O1	96346800	NHRBBKHSUFNMHJ-SNAWJCMRSA-N	227.267	2.223	50	40	BEGB	
O=C(Cl)[C@H](Br)CCCl	136154084	OGNROIRTCSDKHY-GSVOUGTGSA-N	219.893	2.144	50	40	BEGB	
O=C(CCl)Nc1cc(F)cc(F)c1	8730385	LTHWPDSAXDXYPP-UHFFFAOYSA-N	205.591	2.142	50	40	BEGB	in-vitro
CC/C(C=O)=C/NC(=O)Nc1ccccc1	17108318	PAISYBGSNMRWDI-NTMALXAHSA-N	218.256	2.301	50	40	BEGB	
O=C(CCl)NCCSC1CCCCC1	409026480	QIYQCZFOFHFSIN-UHFFFAOYSA-N	235.780	2.407	50	40	BEGB	
CC(=O)[C@H](Cc1ccccc1)SC#N	3434843	IHBILEIDHPGKLT-NSHDSACASA-N	205.282	2.401	50	40	BEGB	
CN(C)/C=C(\C#N)C(=O)c1cccc(Cl)c1	44563792	UGQJHOLJTUPBGU-CSKARUKUSA-N	234.686	2.492	50	40	BEGB	
O=c1c(CCl)cc2cccc3c2n1CC3	3882759	JSBNIUVFFXBMMU-UHFFFAOYSA-N	219.671	2.296	50	40	BEGB	
O=c1cc(CCl)c2cc(O)ccc2o1	541577	WGJIFHRBMQMSMV-UHFFFAOYSA-N	210.616	2.237	50	40	BEGB	biogenic,in-vitro
O=S1(=O)CC[C@@H](Cl)c2ccsc21	1398476	DVUJFNYCWZSBJI-ZCFIWIBFSA-N	222.718	2.205	50	40	BEGB	
CCCCCc1ccc(C(=O)NN)cc1	3129242	OAAKQCZBNZHUBA-UHFFFAOYSA-N	206.289	2.023	50	40	BEGB	
Cc1ccc2c(c1)NC(=O)[C@@H](CCCl)O2	4037217	FYHPPXITQVEGMI-SNVBAGLBSA-N	225.675	2.323	50	40	BEGB	
ClCCCN1CCN(c2ccccc2)CC1	5162410	AQLHJNRNLYDLDP-UHFFFAOYSA-N	238.762	2.438	50	40	BEGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1F	18988395	GUXJSHDCEAORRS-CMDGGOBGSA-N	234.230	2.208	50	40	BEGB	
Cc1csc(/C(C#N)=C/NC[C@@H]2CCCO2)n1	103105116	SIIKKUCKJISORU-RUYJGKKWSA-N	249.339	2.085	50	40	BEGB	
O=[N+]([O-])c1ccc([C@H]2OC[C@@H](CCl)O2)cc1	549134	KTCHZUQSHQYOGX-ZJUUUORDSA-N	243.646	2.248	50	40	BEGB	
O=C(N/N=C1/C[C@@H]2CC=C[C@H]12)c1ccc(O)cc1	13146570	IRZLLOQNQDTOFR-YJZPIKQGSA-N	242.278	2.074	50	40	BEGB	
COc1cccc(Cn2cc(CCl)nn2)c1	52225896	XIVBYIRGGCPWBW-UHFFFAOYSA-N	237.690	2.074	50	40	BEGB	
CO[Si](OC)(OC)C(C)(C)C(C)C	169748465	UVGKQRAGAYVWQV-UHFFFAOYSA-N	206.358	2.301	50	40	BEGB	
O=C(/C=C/c1ccccc1)OCCCl	1600286	GHJSRAZVKRJERL-VOTSOKGWSA-N	210.660	2.482	50	40	BEGB	
Br[C@H]1CC[C@H]2CNCC[C@@H]2C1	15022499	QSYBGLAAGQLQGI-VGMNWLOBSA-N	218.138	2.160	50	40	BEGB	
Cc1ccc(CC(=O)N/N=C/c2ccco2)cc1	512090	MZEFOOSENZDEBU-XNTDXEJSSA-N	242.278	2.281	50	40	BEGB	
CN(C)CCOc1ccc(C(=O)Cl)cc1	32024541	FLIKTHNPHHVZMG-UHFFFAOYSA-N	227.691	2.006	50	40	BEGB	
Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1	136219	SIIYIFFQXBUHDX-MHWRWJLKSA-N	239.278	2.033	50	40	BEGB	
O=P1(O)c2ccccc2CCc2ccccc21	1642174	FDCCXBNBWLWDGD-UHFFFAOYSA-N	244.230	2.006	50	40	BEGB	
CO[C@@H](C(=O)NN=C1CCCC1)c1ccccc1	20248959	RFRMPKDQSKNBSD-CYBMUJFWSA-N	246.310	2.420	50	40	BEGB	
O=C(Cl)c1cc2cc([N+](=O)[O-])ccc2[nH]1	98213516	OXCBIURSLMGZNE-UHFFFAOYSA-N	224.603	2.455	50	40	BEGB	
NC(=O)N/N=C/c1ccc(-c2cccc(F)c2)o1	409012248	PPFUGRYLONCHPE-VIZOYTHASA-N	247.229	2.088	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2ccncc2)s1	32578334	WVGIIIATAHRFDJ-ZSOIEALJSA-N	245.307	2.215	50	40	BEGB	
FC(F)CN1CCC(Br)CC1	87757659	QNRORMVMKIYAAK-UHFFFAOYSA-N	228.080	2.111	50	40	BEGB	
COc1ccccc1C(=O)N/N=C(/C)C(C)C	5383976	XKPVSFYEXWQDQX-UVTDQMKNSA-N	234.299	2.457	50	40	BEGB	
CCCCCc1nnc(NC(=O)CCl)s1	3160997	RDVDUFOQEMNCNF-UHFFFAOYSA-N	247.751	2.448	50	40	BEGB	
O=N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Br	5031325	MUSDPFOIXVESSK-WNJXEPBRSA-N	204.067	2.315	50	40	BEGB	
O=C=N/C=C\NC(=O)Nc1cccc(Cl)c1	5328517	GZEKFBKRQXXTBA-PLNGDYQASA-N	237.646	2.269	50	40	BEGB	
FC(F)n1ccnc1CBr	82730672	SLKAQDFISFIAEU-UHFFFAOYSA-N	211.009	2.173	50	40	BEGB	
O=C1C[C@H](c2ccc(CCl)cc2)CN1	199776129	DDKZKVBTGCHDLR-JTQLQIEISA-N	209.676	2.029	50	40	BEGB	
NC(=O)NN=C(c1ccccc1)c1ccccc1	18296	GTQVKKKKXODXQZ-UHFFFAOYSA-N	239.278	2.107	50	40	BEGB	
O=c1[nH]c(CCl)nc2sc3c(c12)CCC3	3100287	LFTAXGCADIGOSK-UHFFFAOYSA-N	240.715	2.212	50	40	BEGB	
CC(C)CCC(=O)NNC1=NCCCCC1	57312119	SENDWUWUWMZUGS-UHFFFAOYSA-N	225.336	2.016	50	40	BEGB	
COc1ccc([N+](=O)[O-])cc1C=C(C#N)C#N	408727757	XCEVBHOKOGCELY-UHFFFAOYSA-N	229.195	2.034	50	40	BEGB	
CC(C)n1nnc2cc(C(=O)Cl)ccc21	2513564	ZNJHENRZPYCHJO-UHFFFAOYSA-N	223.663	2.391	50	40	BEGB	
CN(Cc1cccc(F)c1)C(=O)CCl	4206755	NZGSVRDDFHWXKD-UHFFFAOYSA-N	215.655	2.023	50	40	BEGB	in-vitro
O=C(CCCl)N1CCc2sccc2C1	22176341	AHJDNRQYCDLFQB-UHFFFAOYSA-N	229.732	2.262	50	40	BEGB	in-vitro
C[C@@H](Cl)C(=O)N[C@@H]1CCOc2ccccc21	37389539	PLDHGUYEVLGTRL-PSASIEDQSA-N	239.702	2.254	50	40	BEGB	in-vitro
O=C(Cl)c1ncccc1C(F)(F)F	39057401	PFHBPXVPKNGYEW-UHFFFAOYSA-N	209.554	2.479	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	97990447	WIZZSZPULQWCID-GHXNOFRVSA-N	245.278	2.479	50	40	BEGB	
C[C@H](NC(=O)CCl)c1ccc(F)cc1F	3445774	BOFNYQXSXAJQLI-LURJTMIESA-N	233.645	2.381	50	40	BEGB	
O=C(N/N=C/c1ccccn1)C1CCCCC1	5705229	JMVVLVMHAFODGN-XNTDXEJSSA-N	231.299	2.112	50	40	BEGB	
Cc1cccc(NP2(=O)NCCCN2)c1	66138556	GNRBXMKVTZTVBV-UHFFFAOYSA-N	225.232	2.098	50	40	BEGB	
N#C[C@@H](O)c1ccc(Br)cc1	100911724	AYTVNJIUMVFUCJ-MRVPVSSYSA-N	212.046	2.006	50	40	BEGB	
CC(C)O[P@](=O)(CCl)OCCCO	1713302	YMSAOUIKEOABDV-ZDUSSCGKSA-N	230.628	2.200	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)o1	6278896	HCRQTLBJIXKQKZ-OVCLIPMQSA-N	246.241	2.491	50	40	BEGB	
CC1(C)[C@@H]2CC[C@@]1(C(=O)Cl)C(=O)C2	45071175	SFQJZTMMKIFIGJ-LDWIPMOCSA-N	200.665	2.147	50	40	BEGB	
CC1(C)[C@@H]2CC[C@H](C2)[C@H]1C/C=N/NC(N)=O	102672990	KRGNEQSPPKUQAK-QBNCTTBCSA-N	223.320	2.103	50	40	BEGB	
O=C(CCl)Nc1c(Cl)cccc1CO	141580150	GLAPCANLSPZNJU-UHFFFAOYSA-N	234.082	2.010	50	40	BEGB	in-vitro
COc1cccc2[nH]cc(C(=O)C(=O)Cl)c12	199745311	CGRFHUOVDZKOSY-UHFFFAOYSA-N	237.642	2.125	50	40	BEGB	
CCc1cccc2c(/C=C(\C#N)C(N)=O)c[nH]c12	6959313	NKGLLMGLZFBXTJ-UXBLZVDNSA-N	239.278	2.123	50	40	BEGB	
C=CCN(CC=C)CCBr	31938475	YLYCSBSLKHNUJH-UHFFFAOYSA-N	204.111	2.055	50	40	BEGB	
CC1=C/C(=N/NC(N)=O)[C@H](C(C)C)CC1	100365453	MMHNCDFKONMERY-FWSONLODSA-N	209.293	2.023	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1cc(C)n(C)c1C	310066933	BWJCJLZJQPEYDK-GHXNOFRVSA-N	232.283	2.112	50	40	BEGB	
COc1ccc(C)c(NC(=O)CCl)c1	873731	QMMPZLROQHKLDA-UHFFFAOYSA-N	213.664	2.181	50	40	BEGB	
CCS[C@H]1CC(C#N)=CC[C@@H]1OC(C)=O	4267658	XYHALCDBIONIDS-QWRGUYRKSA-N	225.313	2.284	50	40	BEGB	biogenic
Cc1nc2scc(C)n2c1C=C(C#N)C#N	11535791	WTPPAVZAESUIRK-UHFFFAOYSA-N	228.280	2.443	50	40	BEGB	
CC(C)(C)OC(=O)N1C[C@H]2C(Cl)[C@@H]2C1	953055048	SUIXCOFQJVPFRX-RNFRBKRXSA-N	217.696	2.091	50	40	BEGB	
O=C(N/N=C/c1c[nH]c2ccccc12)C1CC1	511045	MYGFCWVHYYLEQT-OVCLIPMQSA-N	227.267	2.028	50	40	BEGB	
CC(=O)c1ccccc1NC(=O)[C@@H](C)Cl	8269618	BUZYMCIZGRSBMA-SSDOTTSWSA-N	225.675	2.455	50	40	BEGB	in-vitro
N#C/C(=C/Nc1ccccn1)C(=O)c1ccco1	100134489	OQXJVIYHJGTXCN-KTKRTIGZSA-N	239.234	2.377	50	40	BEGB	in-vitro
COc1cc(N)c(SC#N)cc1SC#N	100274191	GZPLEDFTLRJLDD-UHFFFAOYSA-N	237.309	2.424	50	40	BEGB	
C/C(=N/NC(=O)c1ccccn1)c1ccccc1	33089277	UAZHTXUZKGKOGN-WJDWOHSUSA-N	239.278	2.236	50	40	BEGB	
O=C1ON=C(CCl)/C1=C\c1ccccc1F	34926718	PRZYGTZIZOEBFS-VMPITWQZSA-N	239.633	2.361	50	40	BEGB	
CSC(=O)Oc1ccc([N+](=O)[O-])cc1	1692845	OAJABMRGDJSYQI-UHFFFAOYSA-N	213.214	2.457	50	40	BEGB	
CCOC(=O)[C@@H](Cl)[C@@](C)(O)c1ccccc1	1702319	PKNSTKFOOAFKHC-PWSUYJOCSA-N	242.702	2.065	50	40	BEGB	
CC(C)=NNC(=O)c1cccc(Cl)c1	5899677	DJYWPDJISZAJKY-UHFFFAOYSA-N	210.664	2.466	50	40	BEGB	
CCO[C@H]1[C@@H](Cl)C(O)=NC(=O)N1CC(C)C	36618863	YYBTYPXOVTXJHL-CBAPKCEASA-N	248.710	2.005	50	40	BEGB	
CC1CC(c2cc(=O)[nH]c(CCl)n2)C1	95093981	QYAUNGIGVVOGSI-UHFFFAOYSA-N	212.680	2.022	50	40	BEGB	
CCn1c(CCl)nc2cc(C(=O)O)ccc21	3269844	DCUYWIUIGVSMHT-UHFFFAOYSA-N	238.674	2.493	50	40	BEGB	
C[C@H](Br)C(C)(C)[n+]1ccccc1	5515564	KABKOSZZKHJXQI-VIFPVBQESA-N	229.141	2.493	50	40	BEGB	
O=C(CCl)N1CCC[C@H]2CCCC[C@H]21	7978620	RDTNIAJMHHVOCO-NXEZZACHSA-N	215.724	2.406	50	40	BEGB	in-vitro
C#CCOc1ccc(/C=C/C#N)cc1OC	8207087	ZPJUONVDQTWTDJ-SNAWJCMRSA-N	213.236	2.244	50	40	BEGB	
COc1cc(/C=C\C#N)cc(OC)c1OC	32253000	UTGSLVKJGNDEMJ-PLNGDYQASA-N	219.240	2.249	50	40	BEGB	
CC(C)[C@H]1CC[C@H](C)C/C1=N/NC(N)=O	100365437	QWQKGHCCVVXGRH-NODHTMHHSA-N	211.309	2.103	50	40	BEGB	
CC(C)CCC[C@H](C)C/C=N/NC(N)=O	4266591	RJUVZOZFLJGTPK-XNFYSYIQSA-N	213.325	2.493	50	40	BEGB	
CC(C)O[P@@](=O)(CCl)OCCCO	5456688	YMSAOUIKEOABDV-CYBMUJFWSA-N	230.628	2.200	50	40	BEGB	
O=C1c2ccccc2C(=O)N1C/C=C\CCl	6662089	VSGHWUAHVBTJIU-ARJAWSKDSA-N	235.670	2.078	50	40	BEGB	
C[Si](C)O[Si](C)(C)O[Si](C)C	195814869	YTEISYFNYGDBRV-UHFFFAOYSA-N	206.466	2.224	50	40	BEGB	
O=C(CCl)NCCc1cccc(Cl)c1	3608547	TUSYMIGVUIFCMK-UHFFFAOYSA-N	232.110	2.238	50	40	BEGB	
C[C@H](Br)C(=O)c1ccc(O)cc1	22016557	QQFSREJMXIMHQJ-LURJTMIESA-N	229.073	2.358	50	40	BEGB	in-vitro
CCN(CC)C(=O)/C(C#N)=C\c1cccn1CC	408930849	CVBXSOYZSWHDAX-BENRWUELSA-N	245.326	2.283	50	40	BEGB	
CC1(C)[C@H]2CC[C@H](C2)[C@@H]1C/C=N/NC(N)=O	4184343	KRGNEQSPPKUQAK-SCTSFSIWSA-N	223.320	2.103	50	40	BEGB	
O=C(CCl)N1CC[C@@H]2CCCC[C@H]2C1	4218527	DNDCGDMWWJNDNP-UWVGGRQHSA-N	215.724	2.264	50	40	BEGB	in-vitro
CC(C)(C)c1n[nH]cc1C=C(C#N)C#N	8425238	XPWGDNSYBPDAGI-UHFFFAOYSA-N	200.245	2.138	50	40	BEGB	
Cn1cc(-c2nc(Cl)cc(CCl)n2)cn1	72226239	NFTBCTWDBBKQKV-UHFFFAOYSA-N	243.097	2.269	50	40	BEGB	
CC(=O)N1CCC(CCBr)CC1	88190271	GRCVHPIXPCJPHO-UHFFFAOYSA-N	234.137	2.030	50	40	BEGB	
CO[Si](CC[C@@H]1C[C@@H]2C=C[C@H]1C2)(OC)OC	196988198	WLCVNBXWMQMKGJ-GRYCIOLGSA-N	242.391	2.467	50	40	BEGB	
CC(C)CCc1ccc(C(=O)NN)n1C(C)C	226025076	QPMGUDASCUAKCQ-UHFFFAOYSA-N	237.347	2.261	50	40	BEGB	
Cc1cc(F)c(C(=O)Cl)cc1[N+](=O)[O-]	306907515	DHBDIPBDNXZOEX-UHFFFAOYSA-N	217.583	2.421	50	40	BEGB	
Nc1ccc(F)c(CBr)c1	2243179	QXHIYBUKUIBLAA-UHFFFAOYSA-N	204.042	2.303	50	40	BEGB	in-vitro
C=CCOc1ccccc1/C=N/NC(=O)C(C)C	4358744	ZXNZWCBFMFWQFW-XNTDXEJSSA-N	246.310	2.358	50	40	BEGB	
COC(=O)N[C@H](Cl)C(Cl)(Cl)Cl	5354551	CQVHPTKNAFFWCN-REOHCLBHSA-N	240.901	2.278	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1cccc(C)c1	7141103	MCRWPHDTCCADQN-UKTHLTGXSA-N	226.279	2.204	50	40	BEGB	
CCc1ccc(O)c(NC(=O)CCl)c1	13608911	FFTPUKFYDRJFQU-UHFFFAOYSA-N	213.664	2.132	50	40	BEGB	
CCOC(=O)C[C@H](Br)C(F)(F)F	80440473	XFKQPVDTUJALPE-BYPYZUCNSA-N	249.026	2.265	50	40	BEGB	
O=C/C=C/c1cc([N+](=O)[O-])ccc1Cl	1746323	YGRWDGMIJOLYCX-OWOJBTEDSA-N	211.604	2.460	50	40	BEGB	
COc1cc(OC)c(C(=O)Cl)cc1OC	2570438	JEPXZNXBEFYVOZ-UHFFFAOYSA-N	230.647	2.091	50	40	BEGB	
C/C(=N\NC(=O)c1ccco1)c1cccc(O)c1	13552789	RYGKEZXWCZGOLS-NTEUORMPSA-N	244.250	2.139	50	40	BEGB	
CC(C)[C@H]1CCCCN1C(=O)CBr	96510183	PUEAXWLQADKOQL-SECBINFHSA-N	248.164	2.418	50	40	BEGB	
ClCc1nncn1Cc1ccccc1	96517069	GTDKTVBSFLNGTE-UHFFFAOYSA-N	207.664	2.065	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccccn2)s1	232287	MMKIBXLZUXTSKE-RIYZIHGNSA-N	245.307	2.215	50	40	BEGB	
CCOc1cccc2c1N[S@@](=O)S2	5809721	HPIAUOFSSALFCB-CYBMUJFWSA-N	215.299	2.182	50	40	BEGB	
O=C(Cl)c1cnccc1C(F)(F)F	36438849	OCNBSJMFXJQGGH-UHFFFAOYSA-N	209.554	2.479	50	40	BEGB	
COC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	58179077	HJXKMQNHBMUEMQ-GHXNOFRVSA-N	241.246	2.085	50	40	BEGB	
CCOC(=O)N/N=C(/OCC)c1ccccc1	1857597	WBCSZCXJIALXHD-ACCUITESSA-N	236.271	2.131	50	40	BEGB	
NC(=O)N/N=C/C=C/C=C/c1ccc(F)cc1	2321625	FEOPXPWTDPWZRZ-VSFFAODISA-N	233.246	2.049	50	40	BEGB	
N#CC(C#N)=CNCCc1c[nH]c2ccccc12	13142712	VZCXEULGCXGBLO-UHFFFAOYSA-N	236.278	2.231	50	40	BEGB	
N#C/C(=C\c1ccccc1F)C(=O)N1CCCC1	16437906	FTZOFVBWCYNVNV-FMIVXFBMSA-N	244.269	2.355	50	40	BEGB	
C[C@@H](I)C(F)(F)F	95635090	HHCQMYDFYORZCQ-UWTATZPHSA-N	223.963	2.372	50	40	BEGB	in-vitro
N#C/C(C(=O)c1ccccc1)=C1\CCCN1	100430395	MNDUHSMHAUGMNN-QXMHVHEDSA-N	212.252	2.030	50	40	BEGB	
Clc1ccnc(CBr)n1	202071734	HCJMUULXNLWIJC-UHFFFAOYSA-N	207.458	2.025	50	40	BEGB	
CC(C)SSC(=O)N1CCC[C@@H]1C(=O)O	5553912	ARFSSVGBDZMDMH-SSDOTTSWSA-N	249.357	2.445	50	40	BEGB	
CC(=O)N/N=C(\C)c1ccc(Cl)cc1	5890162	YRWPSCIZUYXMQI-KPKJPENVSA-N	210.664	2.200	50	40	BEGB	
CC(=O)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C	101419536	SQIIAWLQJNQROA-MHSPPEMRSA-N	206.289	2.101	50	40	BEGB	
O=C(CCl)NCCSCc1ccccc1	4206257	QGJSOPHOJYANEI-UHFFFAOYSA-N	243.759	2.275	50	40	BEGB	
COc1ccc(N2C[C@H](CCl)OC2=O)cc1	34284051	YHJWPLPRXWMHBK-JTQLQIEISA-N	241.674	2.259	50	40	BEGB	in-vitro
CCO[Si](OCC)(OCC)C1CCOCC1	309176653	YAQFNKGADFGUCI-UHFFFAOYSA-N	248.395	2.215	50	40	BEGB	
CCOC(=O)C(=O)CCCCCCCl	2386753	OQRSLBNWMVQWPP-UHFFFAOYSA-N	220.696	2.308	50	40	BEGB	
COc1ccc2c(c1)CCCN2C(=O)CCl	12505032	XJPUWRWIBSSPSL-UHFFFAOYSA-N	239.702	2.213	50	40	BEGB	
C[C@@H]1C[C@H]1c1ccc(CNC=C(C#N)C#N)o1	77568601	QQZJERQAWKVIDC-BXKDBHETSA-N	227.267	2.424	50	40	BEGB	
CN(CCBr)C(=O)OC(C)(C)C	91304670	CWCFCGSAAZGWCE-UHFFFAOYSA-N	238.125	2.248	50	40	BEGB	
O=C1N[C@@H](c2cc(Cl)cc(Cl)c2)C(=O)O1	1772714843	ZSRCUSBTXCYVQQ-ZETCQYMHSA-N	246.049	2.301	50	40	BEGB	
CCOC(=O)/C=C(\C#N)c1ccc(C)cc1	16928224	SGPMZSOMFWVEET-XYOKQWHBSA-N	215.252	2.465	50	40	BEGB	
CCCC(=O)OC(=O)c1cc(F)ccc1OC	228916044	JFMBTMQSJZRKGL-UHFFFAOYSA-N	240.230	2.318	50	40	BEGB	
CO[C@@]1(C)CCC(Br)=C(C=O)C1	675082112	BKFJRBVJKWOTQD-VIFPVBQESA-N	233.105	2.423	50	40	BEGB	
CCCCN(NC(C)=O)c1ccccc1	36405015	UVDRKZAWSFZEFO-UHFFFAOYSA-N	206.289	2.344	50	40	BEGB	
COC(=O)c1cc(C)nc(CBr)c1	96007043	SQPNMZZZWXAPJX-UHFFFAOYSA-N	244.088	2.072	50	40	BEGB	
C[C@](O)(C#N)c1ccc(Br)cc1	100893800	LADZEJMOHOCFEO-VIFPVBQESA-N	226.073	2.180	50	40	BEGB	
O=[N+]([O-])CCCCCCBr	196644657	IVZJMMJVZBUDCB-UHFFFAOYSA-N	210.071	2.218	50	40	BEGB	
CN(C)/C=C(\C#N)C(=O)c1ccc(F)cc1F	2507521	LBVXYAHPDWCZGR-BQYQJAHWSA-N	236.221	2.117	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(CC)cc1	6123800	WQZLNESVYJXJEC-UKTHLTGXSA-N	220.272	2.329	50	40	BEGB	
OB(O)c1cc(-c2ccccc2)cc2ccccc12	1857522786	JCXIXVOTTRHVQT-UHFFFAOYSA-N	248.090	2.187	50	40	BEGB	
N#Cc1ccc(NC(=O)CCCl)cc1	12505556	UDCHLXJYCUCIAT-UHFFFAOYSA-N	208.648	2.126	50	40	BEGB	in-vitro
NC(=O)N/N=C1\CCC[C@H]1CCc1ccccc1	16970918	FEASVXWIIBWGQL-UJUPCEQOSA-N	245.326	2.444	50	40	BEGB	
CC(=O)c1ccc2c3c(cccc13)C(=O)OC2=O	101629306	RGBKEYIMRMDPHI-UHFFFAOYSA-N	240.214	2.353	50	40	BEGB	in-vitro
CC(C)C/C=N/NC(=O)c1ccccc1	5091193	PWRGKTBVGYKYEA-UKTHLTGXSA-N	204.273	2.448	50	40	BEGB	
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCl	84788685	LVSFXNVPVYTMOZ-SECBINFHSA-N	239.702	2.348	50	40	BEGB	
O=[N+]([O-])c1ccc([C@H](O)CBr)cc1	95080176	LZCQQYQFJPLEBE-MRVPVSSYSA-N	246.060	2.023	50	40	BEGB	
C[C@H]1C=C[C@H](c2ccccc2)[C@H]2C(=O)OC(=O)[C@H]12	104183482	DRAQQDZPAHZFFN-WKSBVSIWSA-N	242.274	2.292	50	40	BEGB	
CC(C)[C@H](Br)C(=O)Br	2566206	HFAUMPWMNPYULN-BYPYZUCNSA-N	243.926	2.327	50	40	BEGB	
Oc1cccc(CCBr)c1	29552212	PFGNESVRGGEZCB-UHFFFAOYSA-N	201.063	2.330	50	40	BEGB	
C[C@@H](Cl)C(=O)N[C@H]1CCOc2ccccc21	37389543	PLDHGUYEVLGTRL-SCZZXKLOSA-N	239.702	2.254	50	40	BEGB	in-vitro
CSc1nccnc1CBr	72194548	ZUYHCRXIYBTZJE-UHFFFAOYSA-N	219.107	2.093	50	40	BEGB	
COCCC1CC(CBr)C1	85393045	HCQCAIJLCYHEOX-UHFFFAOYSA-N	207.111	2.444	50	40	BEGB	
Oc1ccc(NCCBr)cc1	225405058	ZWMBHLNVOBQJDN-UHFFFAOYSA-N	216.078	2.199	50	40	BEGB	
O=C(CCl)N1CC[C@@H]2CCCC[C@@H]2C1	4218526	DNDCGDMWWJNDNP-VHSXEESVSA-N	215.724	2.264	50	40	BEGB	in-vitro
COc1ccc(-c2nc(CCl)n[nH]2)cc1	85385511	JEBGGKUXFQQRBA-UHFFFAOYSA-N	223.663	2.219	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2)o1	439466	PEELHVWCTMJHQY-NTEUORMPSA-N	228.251	2.352	50	40	BEGB	
C/C(=N\NC(N)=O)[C@@H]1CCCc2ccccc21	5538839	WXHRBMRTHZCPRT-ZRRZQRFHSA-N	231.299	2.151	50	40	BEGB	
O=C(Cl)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Cl	59199049	MNCRMCGXPHYWEZ-UMRXKNAASA-N	221.083	2.180	50	40	BEGB	
CC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@@H]1O	195845048	DUVZTYKUZSSFEO-WDEREUQCSA-N	244.407	2.324	50	40	BEGB	
CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	5480898	NNXCCMGCABDZFK-LFYBBSHMSA-N	231.082	2.463	50	40	BEGB	
O=C(CI)c1ccccc1	6095750	CREOHKRPSSUXCW-UHFFFAOYSA-N	246.047	2.304	50	40	BEGB	
COC[C@H](NCCCl)c1ccccc1	6483097	UXNZOSSQWPEWLC-NSHDSACASA-N	213.708	2.203	50	40	BEGB	
NC(=O)N/N=C1/CCCCCC[C@H]2C[C@@H]12	33959673	KZGDHRSXCJFQOY-NODHTMHHSA-N	209.293	2.001	50	40	BEGB	
CCOC(=O)/C(C#N)=C1\C=Nc2ccccc2N1	100506773	XEXZOINHSIFHFY-FMIVXFBMSA-N	241.250	2.155	50	40	BEGB	
COc1ccc(OC)c(/C=C\C(=O)Cl)c1	33369390	VNZYYMUFZJVDCK-UTCJRWHESA-N	226.659	2.482	50	40	BEGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccncc2)C1	5158555	UYQHHKANUYIZLE-PTFXAJSMSA-N	231.299	2.378	50	40	BEGB	
Cc1ccc([C@H]2NC[C@@H](CCl)O2)cc1	19230038	ADZPAMCMIRQXAV-MNOVXSKESA-N	211.692	2.221	50	40	BEGB	
CC1(COCCCCBr)COC1	34295067	BNWJHWHEZXJCNZ-UHFFFAOYSA-N	237.137	2.215	50	40	BEGB	
COC(=N[C@H]1CCCC[C@@H]1Cl)OC	16189528	ZORXBKLRPBUTNF-YUMQZZPRSA-N	205.685	2.185	50	40	BEGB	
CN1c2ccccc2[C@H]2C=C(C=O)C=C[C@H]21	102132923	PYFGQYUCBXXFMR-TZMCWYRMSA-N	211.264	2.284	50	40	BEGB	
CCOc1ccc(NCC(=O)Cl)cc1	5520609	GORZXRJADZZRRJ-UHFFFAOYSA-N	213.664	2.263	50	40	BEGB	
CC1(CCCBr)OCCCO1	41125630	FBCCSJCLVVSSRX-UHFFFAOYSA-N	223.110	2.315	50	40	BEGB	
CC1(C)CC(=O)[C@@H]2C(CCCCl)=NN[C@H]2C1	228921144	VPUALNWVCHDCOC-GXSJLCMTSA-N	242.750	2.339	50	40	BEGB	
CC(C)[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21	59607100	XZULMDZCPVPLFQ-GFCCVEGCSA-N	230.267	2.218	50	40	BEGB	
O=S1[C@H]2CC[C@H](Cl)[C@H]1CC[C@@H]2Cl	104213238	SKGSRHXKRVAPBW-NBDGCPJMSA-N	227.156	2.275	50	40	BEGB	
COC(=O)[C@H](Cl)c1ccc(F)cc1F	50977842	ZFQUMTKBXWPQMF-MRVPVSSYSA-N	220.602	2.418	50	40	BEGB	
Cc1cccc(CN(C)C(=O)CCl)c1	37501638	CAUKLBVAOLUHFA-UHFFFAOYSA-N	211.692	2.192	50	40	BEGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](/C=N/NC(N)=O)C2	5046126	YLVNMDLQYFEFCH-TUHKGHRFSA-N	223.320	2.103	50	40	BEGB	
COC(=O)/C(C#N)=C/C=C/c1ccccc1	31214	IWGMHVHTDDLNEA-LRELXJSQSA-N	213.236	2.323	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(Cl)cc1	171993	ZWIPXMCXBGEZBP-KPKJPENVSA-N	226.663	2.420	50	40	BEGB	
CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2C(C)C	194737	COAFQVIOHRERLC-SNVBAGLBSA-N	246.314	2.037	50	40	BEGB	
ClC[C@H]1CO[C@H](c2ccc3c(c2)OCO3)O1	1674897	GGVRTQFRYSUGCB-KWQFWETISA-N	242.658	2.068	50	40	BEGB	
O=C(Cc1cccnc1)NN=C1CCCCCC1	5616438	FFDDBQNARDJDGH-UHFFFAOYSA-N	245.326	2.451	50	40	BEGB	
COc1ccc(/C=C\C(=O)Cl)cc1OC	45009260	HGDZRSNJGRIAKS-XQRVVYSFSA-N	226.659	2.482	50	40	BEGB	
CC(/C=C/c1cccc(C)c1)=N\NC(N)=O	5552654	JCDOLCQVJBXJCP-GOLNNHHQSA-N	217.272	2.052	50	40	BEGB	
CCCCCOC(=O)CBr	32153896	YOCUEALKMOVVAJ-UHFFFAOYSA-N	209.083	2.115	50	40	BEGB	
BrCC1(Br)CC1	79105699	HHXZZHIABZWERE-UHFFFAOYSA-N	213.900	2.309	50	40	BEGB	
CC[C@@H](C)C(=O)N/N=C1/CCc2ccccc21	84721252	QWUCTZVQXXHHED-QMLLPTRZSA-N	230.311	2.499	50	40	BEGB	
O=C1O[C@@H](CCl)CN1c1cccs1	96029594	SSUADADBHGNEJX-LURJTMIESA-N	217.677	2.312	50	40	BEGB	
CC(C)NC(=O)[C@H](Cl)c1ccccc1	32627587	URUGPBYXLQPSDQ-SNVBAGLBSA-N	211.692	2.491	50	40	BEGB	in-vitro
Fc1cnc(N2CCC(CCl)CC2)nc1	79440391	UVZCIIPOMUWPJP-UHFFFAOYSA-N	229.686	2.071	50	40	BEGB	
COC(=O)c1cccc([N+](=O)[O-])c1CCl	91301638	OGMCDJBYZAKJTP-UHFFFAOYSA-N	229.619	2.120	50	40	BEGB	
CC[C@]1(C)C[C@H](C(=O)CCl)CCO1	494607	UISLDXZDDYXBAV-PSASIEDQSA-N	204.697	2.390	50	40	BEGB	
O=C(Cl)C1[C@@H]2C[C@H]1[C@@H](Cl)[C@H]2Cl	5410006	XHWJSNKVSWZPAV-YOOKOWLDSA-N	213.491	2.233	50	40	BEGB	
C/C(=N/NC(N)=O)[C@H]1C[C@@]1(C)C(C)(C)C	13749580	CKQDLWSKFIVAEJ-BXOJVNLZSA-N	211.309	2.103	50	40	BEGB	
CC1=C(C#N)C(C(C)C)C(C#N)=C(C)N1	24718309	OUSPFLOWFLFMEL-UHFFFAOYSA-N	201.273	2.457	50	40	BEGB	
O=C(CCl)c1ccc(Br)cn1	84199304	PYMYLVAGLWKDHN-UHFFFAOYSA-N	234.480	2.266	50	40	BEGB	
BrCCN1CCc2ccccc21	40989896	BTWMYSHDKUSMGR-UHFFFAOYSA-N	226.117	2.444	50	40	BEGB	
O=C1N[C@@H](c2ccc(Cl)cc2Cl)C(=O)O1	1772714709	LETRMGLOCZUAFQ-ZETCQYMHSA-N	246.049	2.301	50	40	BEGB	
COCCOCCO[C@@H]1CCCC[C@@H]1Cl	5511782	VLIHEPDFFJTCON-WDEREUQCSA-N	236.739	2.216	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2cccnc2)s1	15934462	BNOLJYUIXMCNRH-RIYZIHGNSA-N	245.307	2.215	50	40	BEGB	
N#CC(C#N)=Cc1cc(Cl)ccc1O	1576769	YNDWMWPHAMWBLG-UHFFFAOYSA-N	204.616	2.476	50	40	BEGB	
C[C@H](Cl)C(=O)N(C)Cc1ccccc1	3319647	RWFBLVRENQLMHX-VIFPVBQESA-N	211.692	2.272	50	40	BEGB	
CCOc1ccc(/C=C(\C#N)C(=O)O)cc1	3342654	MYBMSWJVQCPVJH-JXMROGBWSA-N	217.224	2.077	50	40	BEGB	
COc1cccc([C@H](O)CBr)c1	12506192	MHSXJMCQZFZDPK-SECBINFHSA-N	231.089	2.124	50	40	BEGB	
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CCl	3411311	DZRYFGTYICDZET-LURJTMIESA-N	243.656	2.415	50	40	BEGB	
O=C(Cc1ccccc1)N/N=C1/C[C@H]2C=CC[C@H]12	4145018	OXZYKAOFDHUCHH-ZHNYTEGSSA-N	240.306	2.297	50	40	BEGB	
O=C(CCl)c1ccc(Br)nc1	199546589	NSZYCLHCSRICFJ-UHFFFAOYSA-N	234.480	2.266	50	40	BEGB	
CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	301318	GITRNMVQQFFZHQ-JTQLQIEISA-N	244.319	2.388	50	40	BEGB	
CCOC(=O)c1cc(C(=O)Cl)nn1C(C)C	408717746	RPENJSDLRSYCJR-UHFFFAOYSA-N	244.678	2.020	50	40	BEGB	
O=C(NN=C1CCCCC1)c1ccco1	1509793	VPKXFPBGZKPBKY-UHFFFAOYSA-N	206.245	2.330	50	40	BEGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccccc1O	5945826	SNCZJVGXKKDFKM-ULVWRBEMSA-N	242.278	2.074	50	40	BEGB	
BrC[C@H]1COc2cscc2O1	71186779	KDSOGKRKOMFASM-YFKPBYRVSA-N	235.102	2.283	50	40	BEGB	
CC1=C2CCCC2=C(C#N)C(=C(C#N)C#N)N1	102413717	ZLILUWGIWNGKLR-UHFFFAOYSA-N	222.251	2.169	50	40	BEGB	
C/C(=N\NC(=O)c1ccncc1)C(C)(C)C	408779309	UWWKKRRDCAXCEV-NTEUORMPSA-N	219.288	2.233	50	40	BEGB	
CCOC(=O)/C(C#N)=C/Nc1cccc(F)c1	5315146	WQRPOPPFRFKLBO-CMDGGOBGSA-N	234.230	2.208	50	40	BEGB	
Cl[C@@H]1[C@H](Cl)[C@H]2C[C@@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12	104261621	UVOJEOIBCUNYLY-HVKHSLAMSA-N	219.111	2.254	50	40	BEGB	
CCOc1ccc(/C=C(\C#N)C(N)=S)cc1	1925578	MMWRPBJDLMKZFP-JXMROGBWSA-N	232.308	2.278	50	40	BEGB	
CC[C@@H]1CCC/C1=N\NC(=O)c1cc(C)n[nH]1	13144720	CFFQWEWILLUSGJ-QFPXSISXSA-N	234.303	2.014	50	40	BEGB	
ClC[C@@H]1CO[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)O1	254620053	IMAZNHMBJHURDA-HHKYUTTNSA-N	214.692	2.179	50	40	BEGB	
C[C@H]1C[C@H]1c1ccc(CNC=C(C#N)C#N)o1	77568602	QQZJERQAWKVIDC-JOYOIKCWSA-N	227.267	2.424	50	40	BEGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(N)=O	5943780	WNPZEFJSHJLVEE-CLTKARDFSA-N	241.077	2.386	50	40	BEGB	
CCCCCC(=O)N/N=C/c1ccccc1O	1956848	ZXBABQFBOCLJFM-GXDHUFHOSA-N	234.299	2.423	50	40	BEGB	
O=C1c2ccsc2C[C@H]1Br	3095024	LXOWTJOHNVUDAI-RXMQYKEDSA-N	217.087	2.250	50	40	BEGB	biogenic
C[C@@H](Br)C(C)(C)[n+]1ccccc1	5532143	KABKOSZZKHJXQI-SECBINFHSA-N	229.141	2.493	50	40	BEGB	
COC(=N[C@@H]1CCCC[C@@H]1Cl)OC	16189526	ZORXBKLRPBUTNF-JGVFFNPUSA-N	205.685	2.185	50	40	BEGB	
CC(=O)OC/C=C(\C)CC/C=C(\C)C=O	34145858	YODDEHYDMMDDCV-NXAIOARDSA-N	210.273	2.421	50	40	BEGB	
CC1=C[C@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	73240974	IHLZMAMVGXEIGC-KKJSVHSVSA-N	234.295	2.170	50	40	BEGB	
CCOC(=O)/C(C#N)=C(\OC)c1ccccc1	82297688	YVXOWXPIPRBRPK-QXMHVHEDSA-N	231.251	2.131	50	40	BEGB	in-vitro
COC(=O)/C(C#N)=C\c1ccc(C)c(C)c1	97147139	VKQMSOLFVQEENO-GHXNOFRVSA-N	215.252	2.383	50	40	BEGB	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)CCl)C1	215990615	HQENNLPSMHGVPZ-QMMMGPOBSA-N	247.722	2.051	50	40	BEGB	
Cc1ccc(C(=O)NCCBr)cc1	5928548	QIEINCXSERYYAB-UHFFFAOYSA-N	242.116	2.120	50	40	BEGB	
Cc1cc[nH]c1/C=C(/C#N)C(=S)S	12410529	JFOUNSKZLIEUPE-DAXSKMNVSA-N	208.311	2.487	50	40	BEGB	
ClCc1nc(Cc2cccs2)no1	52899555	GTOAVBZDTOHAGL-UHFFFAOYSA-N	214.677	2.461	50	40	BEGB	
O=C(NCc1cccs1)C(Cl)Cl	6334835	URFCBLUSCVPVOR-UHFFFAOYSA-N	224.112	2.168	50	40	BEGB	
CC(C)COc1ccc(/C=C(\C#N)C(N)=O)cc1	13988879	IZVYHUGIPLVXJO-KPKJPENVSA-N	244.294	2.114	50	40	BEGB	
C[C@H](Cl)C(=O)N[C@H]1CCOc2ccccc21	37389541	PLDHGUYEVLGTRL-WPRPVWTQSA-N	239.702	2.254	50	40	BEGB	in-vitro
N#CC(C#N)=C1CC(=O)c2cscc21	1857775466	GBBRGVXKTMQPSL-UHFFFAOYSA-N	200.222	2.135	50	40	BEGB	
CCOC(=O)c1[nH]c(C)c(C(=O)CCl)c1C	9458179	QQCNATJRDMZOCR-UHFFFAOYSA-N	243.690	2.230	50	40	BEGB	
C[C@H]1CCCC[C@H]1N(C)C(=O)CCl	37654104	BOYKEHUDPWIENY-DTWKUNHWSA-N	203.713	2.262	50	40	BEGB	in-vitro
CN1Cc2ccc(Cl)cc2C=C1C=O	95470435	UGANULYRWLOAJZ-UHFFFAOYSA-N	207.660	2.325	50	40	BEGB	
C=C(C[C@H]1CC(=O)OC1=O)CC(C)(C)C	95682056	XAYJXUKJLBCHEQ-VIFPVBQESA-N	210.273	2.459	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1cccnc1	100965230	VHKDIJVGHHZMCU-ANPYOYFSSA-N	241.294	2.009	50	40	BEGB	
O=[N+]([O-])c1cccc(C2=NO[C@@H](CCl)C2)c1	217846373	ATSXUFASXZIXTK-SECBINFHSA-N	240.646	2.327	50	40	BEGB	
COC(=O)[C@H]1CC[C@H](CBr)CC1	686086803	BXJXDCCSZTVLTR-ZKCHVHJHSA-N	235.121	2.361	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2cccs2)cn1	261489	JESWPJPHOQWPJL-RIYZIHGNSA-N	245.307	2.215	50	40	BEGB	
Cc1cccc(C(=O)N/N=C/c2ccncc2)c1	482685	HHOAULZUDDFNEH-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
COC(=O)N/N=C/c1ccccc1OC(C)C	3365568	VITLRMHROCLMCL-MDWZMJQESA-N	236.271	2.164	50	40	BEGB	
Fc1ccc(-n2cc(CCl)nn2)cc1	52225050	DQVFBNPUSWARIF-UHFFFAOYSA-N	211.627	2.145	50	40	BEGB	
BrC[C@@H]1CC(c2ccco2)=NO1	217842179	GFDWRKPBIBEMPU-LURJTMIESA-N	230.061	2.168	50	40	BEGB	
CC(C)=NNC(=O)CNc1ccccc1Cl	586198	APBNKHCXXFZNGL-UHFFFAOYSA-N	239.706	2.264	50	40	BEGB	
N#CC(C#N)=C1CCC(=C(C#N)C#N)CC1	1688177	NXQNMVFWIRBUHX-UHFFFAOYSA-N	208.224	2.248	50	40	BEGB	
COc1c(F)ccc(C(=O)Cl)c1F	2527856	MCYMWQNLWOAEMH-UHFFFAOYSA-N	206.575	2.352	50	40	BEGB	
CN(C)c1ccc(C(=O)Cl)cc1[N+](=O)[O-]	22124334	PZYONQIOOYTERZ-UHFFFAOYSA-N	228.635	2.040	50	40	BEGB	
O=C(CCl)Nc1ccnn1Cc1ccccc1	57211676	HJYOYNVFPKVFQC-UHFFFAOYSA-N	249.701	2.109	50	40	BEGB	in-vitro
FC(F)(F)CN1CC[C@H](CBr)C1	87760430	SCFRTGANOQWGEP-ZCFIWIBFSA-N	246.070	2.266	50	40	BEGB	
C=CC(=O)OC[C@@H](Br)C(F)(F)F	1083811104	WMMKTZJXJAKJHI-SCSAIBSYSA-N	247.010	2.041	50	40	BEGB	
O=C(NC1CC1)[C@H](Cl)c1ccccc1	4206780	NWXIWIFEVYUKJT-SNVBAGLBSA-N	209.676	2.245	50	40	BEGB	in-vitro
Cc1ccc(C(=O)N/N=C\c2ccccn2)cc1	5928520	BFDYUKVHNMLJKM-YBEGLDIGSA-N	239.278	2.154	50	40	BEGB	
COc1ccc2c(c1)C(=O)[C@H](Br)C2	19727221	VTTUAPDDJQOXBO-SECBINFHSA-N	241.084	2.198	50	40	BEGB	
O=C(Cl)[C@@H]1CCCC[C@H]1C(=O)Cl	100338545	YKZFIPRBWVEQBE-PHDIDXHHSA-N	209.072	2.324	50	40	BEGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	5257131	ASNVURYQQIMESY-MDWZMJQESA-N	247.254	2.111	50	40	BEGB	
O=C(Cl)N1CCN(Cc2ccccc2)CC1	22005442	DPTCOFHATGDORM-UHFFFAOYSA-N	238.718	2.163	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2cccs2)cn1	4603407	JESWPJPHOQWPJL-ZSOIEALJSA-N	245.307	2.215	50	40	BEGB	
C/C(=N\NC(=O)c1ccccn1)c1ccccc1	4986696	UAZHTXUZKGKOGN-LFIBNONCSA-N	239.278	2.236	50	40	BEGB	
Cc1cccc(C(=O)N/N=C/C(C)C)c1O	16970384	UDSDSWHXAFCDDD-NTUHNPAUSA-N	220.272	2.072	50	40	BEGB	
Br[C@@H]1CC[C@H]2CNCC[C@H]2C1	158426	QSYBGLAAGQLQGI-XHNCKOQMSA-N	218.138	2.160	50	40	BEGB	
CC(C)(C)c1cc(C(=O)NN=C2CCCC2)[nH]n1	234344	MQBIJXRTUAXGMO-UHFFFAOYSA-N	248.330	2.367	50	40	BEGB	
N#CSC[C@H]1COc2ccccc2O1	6576158	NIUTUCCPFPTZNP-MRVPVSSYSA-N	207.254	2.041	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2cccnc2)s1	12416917	LQRZUMOPGUMWIQ-RIYZIHGNSA-N	245.307	2.215	50	40	BEGB	
CCOC(=O)/C(C#N)=C1\CCO[C@](C)(CC)C1	13757215	UDSWVPPKUVBGBT-OCHBPSSRSA-N	237.299	2.349	50	40	BEGB	
Cl[C@@H](CN1CCOCC1)c1ccccc1	23583888	ARZJEJJMKGJDDN-LBPRGKRZSA-N	225.719	2.299	50	40	BEGB	
CO[C@@H](Br)C(=O)c1ccccc1	34581622	AKLKIGMEFVPQFJ-SECBINFHSA-N	229.073	2.237	50	40	BEGB	
O=C(O)Cc1cccc(F)c1CBr	116733803	ICWUKZQCVSHCGC-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
O/N=C(\CBr)c1ccccc1	100017063	CPIZBNJPBHXWFN-CSKARUKUSA-N	214.062	2.260	50	40	BEGB	
O=C(O)[C@@H](Br)Cc1ccccc1F	77404420	CAFIIKMFMMHZQI-ZETCQYMHSA-N	247.063	2.216	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1ccc(CC#N)cc1	35222654	MNMYPCNKEUDUTM-QMMMGPOBSA-N	222.675	2.318	50	40	BEGB	
Nc1cc(F)ccc1CBr	16082895	MGCZXYLOYARVMS-UHFFFAOYSA-N	204.042	2.303	50	40	BEGB	
Cc1nc2cc(NC(=O)CCl)ccc2n1C	577554	LNQMYXSQADBAAE-UHFFFAOYSA-N	237.690	2.059	50	40	BEGB	
O=C(CCl)NCCCOC1CCCCC1	40438548	PLSADOXQFQUPHE-UHFFFAOYSA-N	233.739	2.081	50	40	BEGB	
Cc1cccc(C)c1OCCNC(=O)CCl	41285873	VZDATRCPKWDKJV-UHFFFAOYSA-N	241.718	2.037	50	40	BEGB	
CN1C=C(C(F)(F)F)C=CC1=C(C#N)C#N	55575	AXGSVARJHUNCSW-UHFFFAOYSA-N	225.173	2.235	50	40	BEGB	
O=C1Nc2ccccc2S[C@H]1CCl	7779440	XDCANWZDLUKZCT-QMMMGPOBSA-N	213.689	2.338	50	40	BEGB	in-vitro
COC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2	34412199	QFRHEQUPAQAIAD-FJXKBIBVSA-N	233.105	2.113	50	40	BEGB	
O=C(CCl)Cc1ccc(F)cc1F	87467347	JZHLSLIBGPOEBK-UHFFFAOYSA-N	204.603	2.315	50	40	BEGB	
CCCc1noc([C@@H](C)Br)n1	96511373	KWMSHRSRHKBDJG-RXMQYKEDSA-N	219.082	2.478	50	40	BEGB	
O=C(O)c1cc(F)cc(CBr)c1	97438995	SSVXNXIMHOOTSB-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	in-vitro
CC[C@H](C)OC(=O)OCCBr	1083809820	OPXYICQTUSNQQK-LURJTMIESA-N	225.082	2.333	50	40	BEGB	
COC(=O)c1ccccc1C[C@@H](C#N)SC#N	107752	DUMLWHTUHSKNIY-JTQLQIEISA-N	246.291	2.122	50	40	BEGB	
N#C/C(=C/c1ccccc1)C(=O)N1CCCC1	3254284	RCDVTCFFHMZWET-RAXLEYEMSA-N	226.279	2.216	50	40	BEGB	
C=CCC/C(=N\NC(N)=O)c1ccccc1	5081206	LWWUTAUGDVQMRQ-SDNWHVSQSA-N	217.272	2.025	50	40	BEGB	
CCC(=O)NNc1nc2c(F)cccc2s1	4121343	CNDYWKJQOAKBTJ-UHFFFAOYSA-N	239.275	2.289	50	40	BEGB	
O=C1Nc2ccccc2S[C@@H]1CCl	7779441	XDCANWZDLUKZCT-MRVPVSSYSA-N	213.689	2.338	50	40	BEGB	in-vitro
CCC[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	520188	XDDRZPJDUKMPDK-QMMMGPOBSA-N	232.283	2.134	50	40	BEGB	
CCOC(=O)c1ccccc1C(=O)Cl	39398654	PZXUROMIOKQQSE-UHFFFAOYSA-N	212.632	2.242	50	40	BEGB	
O=C1OC(=O)[C@H]2[C@@H]1CC=C[C@H]2c1ccccc1	95817427	SISNVYGRWPGDFF-SDDRHHMPSA-N	228.247	2.046	50	40	BEGB	
O[C@@H](CCCl)c1c[nH]c2ncccc12	96510707	UTDAPYHUDHZERM-VIFPVBQESA-N	210.664	2.225	50	40	BEGB	
Cc1c(NC(=O)CCl)cccc1[N+](=O)[O-]	3276804	LFYAHDMPGMNGIW-UHFFFAOYSA-N	228.635	2.081	50	40	BEGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccncc1	5480043	HLHZSASRXZTLLG-NTEUORMPSA-N	235.287	2.330	50	40	BEGB	
O=C(CBr)c1ccncc1Cl	84192554	XXEHFQMSZFKQAX-UHFFFAOYSA-N	234.480	2.313	50	40	BEGB	in-vitro
Cc1ncc(CBr)cc1F	230488091	XMLVQWTXYCITEP-UHFFFAOYSA-N	204.042	2.424	50	40	BEGB	
COC(=O)/C(C#N)=C/c1cccc(C)c1	3570144	BXPXUOKKSVAPDN-YRNVUSSQSA-N	201.225	2.075	50	40	BEGB	
Cc1cccc(/C=C(/C#N)C(=O)NC(C)C)c1	3570623	JJZMQIHYTQNZAT-JYRVWZFOSA-N	228.295	2.427	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2ccco2)cc1	4763447	VNJKCISMYLGSHP-ZROIWOOFSA-N	228.251	2.352	50	40	BEGB	
O=C(CBr)OC[C@H]1C[C@H]2C=C[C@@H]1C2	4803478	YMUCCFYCQVTQAP-DJLDLDEBSA-N	245.116	2.137	50	40	BEGB	
COc1ccc(CNCCBr)cc1	1621657	DRHRHQSPAMDVQF-UHFFFAOYSA-N	244.132	2.180	50	40	BEGB	
CC(=O)N[C@@H]1C[C@@H](c2ccccc2)C=C(C#N)O1	4267432	PMIHZUUKQWXHFO-JSGCOSHPSA-N	242.278	2.060	50	40	BEGB	biogenic
C[C@H](CBr)OCCBr	5532189	GMBJMUXHZUREOG-RXMQYKEDSA-N	245.942	2.181	50	40	BEGB	
O=C(CBr)c1ccc(F)cc1O	16159516	QWYCXHKZADAVSG-UHFFFAOYSA-N	233.036	2.109	50	40	BEGB	
OCCP(c1ccccc1)c1ccccc1	301381	QYBKBPXLDZLBEB-UHFFFAOYSA-N	230.247	2.112	50	40	BEGB	
CC1(C)[C@@H](C/C=N/NC(N)=O)[C@H]2CC[C@@H]1C2	4184341	KRGNEQSPPKUQAK-XXSXKJDKSA-N	223.320	2.103	50	40	BEGB	
COc1ccccc1/C=C/C=N/NC(=O)C1CC1	6684289	QTMBIEZOSYYFIR-SQXCIYSKSA-N	244.294	2.220	50	40	BEGB	
O=C(CCBr)N1CCCCCC1	41674697	HLRKLLZGYOBARH-UHFFFAOYSA-N	234.137	2.174	50	40	BEGB	
N#Cc1cc([N+](=O)[O-])ccc1CBr	64034328	VIVZUXLVICWXPD-UHFFFAOYSA-N	241.044	2.361	50	40	BEGB	
COC(=O)c1csc(CBr)c1	147521749	CROQSEZSPUAIOV-UHFFFAOYSA-N	235.102	2.430	50	40	BEGB	
COc1ccc2occ(/C=C/C=O)c(=O)c2c1	2024633	LDFBJKKHWHBTQO-NSCUHMNNSA-N	230.219	2.014	50	40	BEGB	biogenic
CC(C)C[C@@H](NC(=O)CCCCCl)C(=O)O	2042298	KLRYJQNMJWGJLL-SECBINFHSA-N	249.738	2.011	50	40	BEGB	
O=C(NNc1ccccn1)NC1CCCCC1	18192055	MIXWZLYIXCBMCQ-UHFFFAOYSA-N	234.303	2.040	50	40	BEGB	
CCOc1ccc(OCC(=O)Cl)cc1	33433329	AAWZWSVNYNIBHJ-UHFFFAOYSA-N	214.648	2.230	50	40	BEGB	
CC(C)n1ccc(CBr)n1	76499776	KGUBDMJGKKNOEW-UHFFFAOYSA-N	203.083	2.359	50	40	BEGB	
O=C(O)[C@]12CC[C@@H](C[C@@H]1Br)C2	100182719	YOBWYLCYNUIVKF-HAFWLYHUSA-N	219.078	2.025	50	40	BEGB	
COc1ccc(CNCCCCl)cc1	6940443	HBLLKTFOZRYANW-UHFFFAOYSA-N	213.708	2.414	50	40	BEGB	
COC[N+](C)(C)c1ccc(/C=C\C=O)cc1	17104409	SYBTXLAGQKPOAI-PLNGDYQASA-N	220.292	2.070	50	40	BEGB	
CC1(C)OOC(C)(C)OOC(C)(C)OO1	100066009	ZTLXICJMNFREPA-UHFFFAOYSA-N	222.237	2.053	50	40	BEGB	
CC(C)C(=O)OCCSCCCl	1671130	AUFBNDIPQOQLEF-UHFFFAOYSA-N	210.726	2.158	50	40	BEGB	
ClC[C@@H]1CO[C@@H](C(Cl)(Cl)Cl)O1	2037899	DADNQTMXKHQSRJ-QWWZWVQMSA-N	239.913	2.337	50	40	BEGB	
CCS[C@@H]1CC(C#N)=CC[C@@H]1OC(C)=O	4267655	XYHALCDBIONIDS-WDEREUQCSA-N	225.313	2.284	50	40	BEGB	biogenic
COC(=O)c1ccc(C(=O)CCCCl)o1	85394231	JXCCNBFKFHUIAN-UHFFFAOYSA-N	230.647	2.268	50	40	BEGB	
Nc1ccc([N+](=O)[O-])cc1CBr	238603273	BVORHKKCYOSPJZ-UHFFFAOYSA-N	231.049	2.072	50	40	BEGB	
O[C@]1(CCl)CSC(c2ccccc2)=N1	163385	WYXKFWSZVUVTBE-SNVBAGLBSA-N	227.716	2.107	50	40	BEGB	
COc1cc(CNCCCl)cc(OC)c1	1667744	DROAUVFYRGSICW-UHFFFAOYSA-N	229.707	2.032	50	40	BEGB	
CC(=O)c1cccc(NC(=O)NCCCl)c1	3225405	YLXTZBCYMLYAPF-UHFFFAOYSA-N	240.690	2.250	50	40	BEGB	
C[C@@H]1NC(=C(C#N)C#N)Nc2ccccc21	6545555	NIGXDULEPZOWCD-QMMMGPOBSA-N	210.240	2.021	50	40	BEGB	
Cc1ccccc1N1C[C@@H](C(=O)Cl)CC1=O	22124417	JRUMZHUVWKTLDE-VIFPVBQESA-N	237.686	2.113	50	40	BEGB	
O=C(O)c1cccc(CBr)c1F	90627561	OXFZIBDRTJCLNM-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	
C[C@@H](Cl)C(=O)NC(=O)Nc1ccccc1F	36904966	XMHPNSLHYGRMOM-ZCFIWIBFSA-N	244.653	2.101	50	40	BEGB	in-vitro
ClC[C@H](Cc1cnc[nH]1)NCc1ccccc1	19939761	UJXAKNNVMUDNLF-LBPRGKRZSA-N	249.745	2.349	50	40	BEGB	
CC(C)(C)N1C(=O)CCC(C=O)=C1Cl	257198087	SFWALCRTNWSCHR-UHFFFAOYSA-N	215.680	2.057	50	40	BEGB	
COC(=O)c1ccc(C(Cl)Cl)nc1	1848350199	UZQXKBFAQOVQFY-UHFFFAOYSA-N	220.055	2.344	50	40	BEGB	
CC(=O)N/N=C1/CC(C)(C)[C@@H]2CC[C@@H]1C2	104279895	WUEKNJXUHBWDRN-IUVOVWGLSA-N	208.305	2.325	50	40	BEGB	
CCc1ccc2c(c1)C(=C(C#N)C#N)C(=O)N2	558700	DSUQEKVWAJAATR-UHFFFAOYSA-N	223.235	2.002	50	40	BEGB	
Nc1ccccc1C(=O)N/N=C/c1ccccc1	568059	PMEKSNNGRFHPLU-MHWRWJLKSA-N	239.278	2.033	50	40	BEGB	
CC1=C/C(=N/NC(N)=O)[C@@H](C(C)C)CC1	4266534	MMHNCDFKONMERY-BLKPKJALSA-N	209.293	2.023	50	40	BEGB	
C[C@@H]1Cc2cc(/C=C(/C#N)C(=O)O)ccc2O1	98063832	PPGJJNCGJNNMAW-QKNMJKLUSA-N	229.235	2.002	50	40	BEGB	
N#C[C@H](O)c1ccc(C(F)(F)F)cc1	100546872	NYWXAQVYSYFVIG-QMMMGPOBSA-N	201.147	2.262	50	40	BEGB	in-vitro
CCOC(=O)c1cc(C(=O)Cl)n(C(C)C)n1	408717603	JXBGKJHKDQKRGN-UHFFFAOYSA-N	244.678	2.020	50	40	BEGB	
C[C@@]1(C(=O)NC2CCCC2)C[C@H]1Br	2272243	DGAMAFULZGOSQN-PSASIEDQSA-N	246.148	2.219	50	40	BEGB	
N#C/C=C/S(=O)(=O)c1ccc(Cl)cc1	5569972	PMXNFHBBEHWDAK-LREOWRDNSA-N	227.672	2.151	50	40	BEGB	in-vitro
CO[Si](C)(CNc1ccccc1)OC	196858432	BNQFLOSSLHYGLQ-UHFFFAOYSA-N	211.337	2.003	50	40	BEGB	
O=C=NC1(c2ccccc2)CCOCC1	26340364	HKKGHFQAYVPNAN-UHFFFAOYSA-N	203.241	2.028	50	40	BEGB	in-vitro
C[C@@H](Br)[C@H](Br)C#N	6036899	TWLGLYVADVLALB-QWWZWVQMSA-N	226.899	2.057	50	40	BEGB	in-vitro
COc1ccc(/C(C)=N/NC(=O)C(C)C)cc1	18194437	JMIDNSXNSFKNHC-GXDHUFHOSA-N	234.299	2.191	50	40	BEGB	
O=C(N=C=S)c1cncc(Br)c1	35660259	WUIMDTYJLCWJPS-UHFFFAOYSA-N	243.085	2.087	50	40	BEGB	
CC(=O)c1ccc(OCCCl)cc1O	43465124	LQZIFKPHHRXCLE-UHFFFAOYSA-N	214.648	2.212	50	40	BEGB	
C/C(=N/NC(=O)c1ccco1)c1ccccc1O	100890517	UTLLNYWFFQRPPJ-ZROIWOOFSA-N	244.250	2.139	50	40	BEGB	
CN(C)C(=O)[C@]12CC[C@@H](C[C@@H]1Br)C2	104106347	PPKHWGBZVYUOKV-NRPADANISA-N	246.148	2.028	50	40	BEGB	
N#CC1=C(N)Oc2ccccc2[C@@H]1c1ccco1	7516628	ZCZFVTYYRAAHHJ-ZDUSSCGKSA-N	238.246	2.498	50	40	BEGB	
CN(C)/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	26423523	MVQNRLYQOQCWJJ-MDZDMXLPSA-N	239.278	2.320	50	40	BEGB	
CC(=O)NNc1cc(Cl)ccc1Cl	71789953	AUCOJRKPJQDINM-UHFFFAOYSA-N	219.071	2.456	50	40	BEGB	
Cc1ccnc(NCCBr)c1	228966108	KFYOPXHSFNSXAW-UHFFFAOYSA-N	215.094	2.197	50	40	BEGB	
CC(C)(C)CNCCCBr	1686749	FOANFUUFFWENPF-UHFFFAOYSA-N	208.143	2.407	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1ccc(C#N)cc1	3887334	YJKWYWDSLSGVDW-SSDOTTSWSA-N	208.648	2.124	50	40	BEGB	in-vitro
COC(=O)[C@H](OCCCl)c1ccccc1	72417731	KWJUQOJDDQFEOE-SNVBAGLBSA-N	228.675	2.156	50	40	BEGB	
O=C(Cl)C(C(F)(F)F)C(F)(F)F	80440414	AZKSSGUJWJNPPY-UHFFFAOYSA-N	214.492	2.493	50	40	BEGB	in-vitro
COc1ccc2c(c1)C[C@@H](Br)C2=O	36421579	VDAOMAGKUNHGSS-SECBINFHSA-N	241.084	2.198	50	40	BEGB	
O=C1Nc2ccccc2N[C@@H]1CCCl	38700831	FAJIZLFALYZEKI-SECBINFHSA-N	210.664	2.048	50	40	BEGB	
Cc1oc(C(C)(C)C)cc1C(=O)NN(C)C	85565	XALFDJRCIURNSU-UHFFFAOYSA-N	224.304	2.092	50	40	BEGB	
O=c1[nH]c2ccccc2cc1CBr	16940247	LSAQTAKXZBLFIX-UHFFFAOYSA-N	238.084	2.423	50	40	BEGB	
CC(C)OC(=O)NN(C)c1ccccc1	1666697	FYMYOBALWFWHKM-UHFFFAOYSA-N	208.261	2.172	50	40	BEGB	
O=CN/N=C/c1ccc(Cl)cc1Cl	1710926	DDFQYHXCMSAYIV-NYYWCZLTSA-N	217.055	2.073	50	40	BEGB	
CC/C(=N\NC(=O)C1CC1)c1ccc(O)cc1	13117079	CABVSWWUQVXVTP-WYMLVPIESA-N	232.283	2.033	50	40	BEGB	
Cc1ccc(-c2cc(=O)[nH]c(CCl)n2)cc1	72207452	YVNKADPWSHTYIA-UHFFFAOYSA-N	234.686	2.484	50	40	BEGB	
NC(=O)N/N=C1/CCCCCC[C@@H]2C[C@H]12	382887	KZGDHRSXCJFQOY-JIBFJXAJSA-N	209.293	2.001	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1cccc(C#N)c1	2535255	IUQFOTOMLHSZIN-KPKJPENVSA-N	226.235	2.028	50	40	BEGB	in-vitro
O=C(N/N=C/Cc1ccccc1)c1cccnc1	5602546	MEOZUMKNOOMDJK-MHWRWJLKSA-N	239.278	2.040	50	40	BEGB	
CC(C)CC(=O)N/N=C1/C[C@@H]2C=CC[C@H]12	5906975	XJUPDZASDXCRDZ-BCJGJUAWSA-N	206.289	2.101	50	40	BEGB	
C/C(CCC1CCCCC1)=N/NC(N)=O	17161757	OTLBWZLUUMEBCS-LCYFTJDESA-N	211.309	2.391	50	40	BEGB	
Cc1cccc(C(=O)N/N=C\c2ccco2)c1	33294403	LZSYTRACBOBHJM-ZROIWOOFSA-N	228.251	2.352	50	40	BEGB	
CCOC(=O)c1cc(CBr)ccn1	95936112	RCCHLEICDBVAAA-UHFFFAOYSA-N	244.088	2.153	50	40	BEGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc[nH]2)n1	409371507	WVFNJFPQDOQHHP-YRNVUSSQSA-N	240.266	2.075	50	40	BEGB	
NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1	91379	CSIJNNYNKHESOD-UHFFFAOYSA-N	236.658	2.204	50	40	BEGB	
N#CC(C#N)=Cc1cc([N+](=O)[O-])cs1	808862	PCZBTHNKJSGTLZ-UHFFFAOYSA-N	205.198	2.087	50	40	BEGB	
Cc1ccc([C@@H](O)CBr)cc1	36222333	PFFFYUUCYZSKRI-VIFPVBQESA-N	215.090	2.423	50	40	BEGB	
O=C(Cl)c1cccnc1C(F)(F)F	39057406	LOMWLEQMDWJIIF-UHFFFAOYSA-N	209.554	2.479	50	40	BEGB	
CC(C)C12C[C@@H]3C[C@H](CC(C(=O)NN)(C3)C1)C2	100243564	YRDJRMGJSXUGFL-BCVKRFQSSA-N	236.359	2.219	50	40	BEGB	
CCOC(=O)/C(C#N)=C(\O)c1ccc(C)cc1	100541738	MBHFXBYWRYRXHL-QXMHVHEDSA-N	231.251	2.351	50	40	BEGB	
Clc1cnc2n1[C@H](Br)C=CO2	238511465	WWDGDCIRISMCQX-BYPYZUCNSA-N	235.468	2.336	50	40	BEGB	
O=C(C[C@@H]1CCCC[C@H]1O)NNc1ccccc1	1716487	QXHSBZRUGINJTA-WCQYABFASA-N	248.326	2.071	50	40	BEGB	
COc1ccc(C(=O)CCl)cc1OC	9246001	NHBJPPQEPIPTLF-UHFFFAOYSA-N	214.648	2.125	50	40	BEGB	in-vitro
O=C(Cl)c1cc(F)cc2c1OCOC2	16158794	BVBRUBNOWFISPE-UHFFFAOYSA-N	216.595	2.071	50	40	BEGB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Cl	22124619	OAMBFZKJLQPBIU-UHFFFAOYSA-N	228.635	2.040	50	40	BEGB	
COC(=O)C(=O)[C@H](Cl)c1ccc(C)cc1	82540557	SJZWGZDVQIMLDL-SECBINFHSA-N	226.659	2.017	50	40	BEGB	
CC(C)Cc1sc(C(=O)NN)cc1Cl	85393281	JTIZBKWNTQCNNV-UHFFFAOYSA-N	232.736	2.204	50	40	BEGB	
O[C@@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br	5049093	CSJYFLLSUHDSCX-GWOFURMSSA-N	239.112	2.396	50	40	BEGB	
CN(C)[C@@H](Br)C(=O)c1ccccc1	31924388	AYQAIGJLXPTLMV-SNVBAGLBSA-N	242.116	2.152	50	40	BEGB	
CN(C)c1ccc(C#CCBr)cc1	95633001	UEYVFXFUOLEHGC-UHFFFAOYSA-N	238.128	2.499	50	40	BEGB	
O[C@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Br	104105542	CSJYFLLSUHDSCX-UKKRHICBSA-N	239.112	2.396	50	40	BEGB	
O=C(N/N=C\c1ccccn1)Nc1ccccc1	136941037	WNRXRWDGBRXIJC-GDNBJRDFSA-N	240.266	2.237	50	40	BEGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)NC	408601418	JSZNXMGNXKNMAT-FMIVXFBMSA-N	244.294	2.128	50	40	BEGB	
N#CC(C#N)=C(N)c1ccccc1Cl	91695901	MPRIYZSQUVZBHZ-UHFFFAOYSA-N	203.632	2.057	50	40	BEGB	
CC1(C)[C@@H]2C[C@H]1[C@H]1CC[C@H]3C(=O)OC(=O)[C@@H]3[C@@H]1C2	103899859	VGXLDXXABXEBLX-URIQBSJHSA-N	248.322	2.394	50	40	BEGB	
O=C(OCCCCl)OCCCCl	114215465	BMGKTHTXANSOFR-UHFFFAOYSA-N	215.076	2.397	50	40	BEGB	
O=C(Nc1cccnc1Cl)C(Cl)Cl	2750597	SUKUVRZKQHORQM-UHFFFAOYSA-N	239.489	2.477	50	40	BEGB	
O=C(CCl)NC1(c2ccccc2)CCC1	58033229	SGBHZXYUBGEFEJ-UHFFFAOYSA-N	223.703	2.421	50	40	BEGB	in-vitro
ClCCCCCCOCN1CCOCC1	31761117	XAUWHBJSDHAQDJ-UHFFFAOYSA-N	235.755	2.092	50	40	BEGB	
CN(C)C[C@H]1CCCC[C@H](Br)C1=O	5119322	DJSDSZLTDWYGFJ-BDAKNGLRSA-N	248.164	2.071	50	40	BEGB	
NC(=O)N/N=C1\C=C[C@]2(CC=CCC2)CC1	5600514	NHBCPECHRVEKFI-HLVNSREUSA-N	219.288	2.087	50	40	BEGB	
C[C@H](Br)C(=O)NCC1CCCC1	41691246	CAPNLOZDAYTNOG-ZETCQYMHSA-N	234.137	2.076	50	40	BEGB	
O=C(Cl)c1cc(O)cc(C(=O)Cl)c1	100517138	PVOFLWDXEXGWNT-UHFFFAOYSA-N	219.023	2.150	50	40	BEGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(O)c1	41709014	MUWZJGROPTYFSU-CEXMDJMXSA-N	244.294	2.214	50	40	BEGB	
CCN(Cc1ccc(OC)cc1)C(=O)CCl	37501653	UJXQWKYGXFVAQT-UHFFFAOYSA-N	241.718	2.283	50	40	BEGB	in-vitro
C[C@H](NC(=O)CCl)c1cccs1	3445778	VRCUYEBCUHAHLH-LURJTMIESA-N	203.694	2.164	50	40	BEGB	in-vitro
C[C@@H]1CCCC/C1=N\NC(=O)c1ccccn1	5920162	WKKJJAUQODOJPZ-YMQUWAGYSA-N	231.299	2.378	50	40	BEGB	
O=[N+]([O-])c1ccc(/N=N/NCCCl)cc1	18141507	BTGNUWUGMKPDQE-UHFFFAOYSA-N	228.639	2.422	50	40	BEGB	
COc1cc(CN)ccc1CBr	140371816	LCETUELVPIWNMB-UHFFFAOYSA-N	230.105	2.049	50	40	BEGB	
O=C(N/N=C/c1cccs1)c1cccc(O)c1	3579889	UQKORGRCCYGNNG-MDWZMJQESA-N	246.291	2.218	50	40	BEGB	
CC/C(CCCc1ccccc1)=N\NC(N)=O	4701382	NNIWWWCKAPIOEH-NTCAYCPXSA-N	233.315	2.444	50	40	BEGB	
O=C1c2cc(F)ccc2O[C@H]1Br	98210843	DZMXWFHXQBHTNW-MRVPVSSYSA-N	231.020	2.122	50	40	BEGB	in-vitro
C[C@@](O)(C#N)c1ccc(Br)cc1	100893799	LADZEJMOHOCFEO-SECBINFHSA-N	226.073	2.180	50	40	BEGB	
O=C=Nc1ccc(OC(F)F)c(F)c1	238528408	RAAFORDAYRKXGI-UHFFFAOYSA-N	203.119	2.394	50	40	BEGB	
Cc1sc(C=C(C#N)C#N)cc1[N+](=O)[O-]	43811	YLNIVYHUNUXQJA-UHFFFAOYSA-N	219.225	2.395	50	40	BEGB	
Cn1cc2ccc(NC(=O)CCCl)cc2n1	4187329	IAIXKCOQUKCUBY-UHFFFAOYSA-N	237.690	2.141	50	40	BEGB	
O=C1C[C@H](C(=O)CCl)C2(CCCCC2)O1	5290006	PKSKXRXSHMEHSH-MRVPVSSYSA-N	230.691	2.060	50	40	BEGB	
O[C@@H]1CC[C@@H]2C[C@H]1[C@H](CBr)C2	33414705	ZGZKEENVMYNWHQ-XSPKLOCKSA-N	219.122	2.178	50	40	BEGB	
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Cl)cc1	36904951	ZELGUTOPLDGYAE-MRVPVSSYSA-N	240.690	2.270	50	40	BEGB	
COc1ccccc1[C@H](C)N(C)C(=O)CCl	37654153	FNPUQTZECOTDQY-VIFPVBQESA-N	241.718	2.453	50	40	BEGB	in-vitro
CC(C)C(=O)NNC(=O)c1ccc(C(C)C)cc1	9377886	VEIWWZABVCHASR-UHFFFAOYSA-N	248.326	2.227	50	40	BEGB	
CCOC(=O)/C(C#N)=C/[C@]1(C)CCC(C)=CO1	5328729	SLWMQBCRIDZYCI-HJTPGIPUSA-N	235.283	2.472	50	40	BEGB	
CCOC(=O)/C(C#N)=C/N1CCc2ccccc21	12062381	SAABVXMJSODQCK-ZRDIBKRKSA-N	242.278	2.020	50	40	BEGB	
O=C(NN=C1CCCC1)c1ccc2c(c1)OCO2	5164092	HLOMWDUJNGQONF-UHFFFAOYSA-N	246.266	2.075	50	40	BEGB	
C[C@H]1CCCN(C(=O)[C@H](C)Br)C1	41738307	AOEQZEUUTTZQRC-YUMQZZPRSA-N	234.137	2.028	50	40	BEGB	
Cc1c(Cl)cccc1-n1cccc1C(=O)NN	223725237	QPTSYUBVJCEIHD-UHFFFAOYSA-N	249.701	2.043	50	40	BEGB	
C[C@H](C#N)OC[C@H](Br)C(F)(F)F	1083811085	VDXPHHMHWORQGE-UHNVWZDZSA-N	246.026	2.241	50	40	BEGB	
Br[C@H]1CCC[C@@H]2CNCC[C@@H]12	2380434	IIYRCTSNIWCZEC-HLTSFMKQSA-N	218.138	2.160	50	40	BEGB	
COc1cc(NC=C(C#N)C#N)cc(OC)c1	11612397	FVNZHLUTGMYUPJ-UHFFFAOYSA-N	229.239	2.047	50	40	BEGB	
CC(=O)NNc1nc(-c2ccccc2)cs1	18084605	KRVULIVFYNLJDY-UHFFFAOYSA-N	233.296	2.273	50	40	BEGB	
O=C(Cl)c1ccc(OCCF)cc1	39057153	SDJCERIPFFAVGJ-UHFFFAOYSA-N	202.612	2.414	50	40	BEGB	
O=C=Nc1ccnc(N2CCCCC2)c1	95763563	NMIAGLUVGFMQHM-UHFFFAOYSA-N	203.245	2.039	50	40	BEGB	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)CCl)C1	215990660	HQENNLPSMHGVPZ-MRVPVSSYSA-N	247.722	2.051	50	40	BEGB	
Cc1cc(C(=O)N/N=C/c2ccco2)c(C)o1	32441	LHMSRICAIQLHPI-NTUHNPAUSA-N	232.239	2.253	50	40	BEGB	
COC(CCCl)(CCCl)OC	1648348	GONFBMLMMWTSOO-UHFFFAOYSA-N	201.093	2.233	50	40	BEGB	
Cl[C@@H]1O[C@@H](Cl)[C@@H](Cl)O[C@H]1Cl	1684618	YLVGPWIKMNWIOD-AJSXGEPRSA-N	225.886	2.293	50	40	BEGB	
CC(/C=C/c1ccc(Cl)cc1)=N\NC(N)=O	16942391	UBQZSMHZGXEIDH-SLCPPWGYSA-N	237.690	2.397	50	40	BEGB	
C/C(CCc1cccc(Cl)c1)=N\NC(N)=O	17013639	HCRPYSXEDHXRLY-RIYZIHGNSA-N	239.706	2.317	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2cccn2C)cc1	44061929	AKPSRJQJZJBJLB-XNTDXEJSSA-N	241.294	2.097	50	40	BEGB	
O=C1ON=C(CCl)/C1=C/c1ccccc1	44804564	BTQCQXBKIFZOCS-TWGQIWQCSA-N	221.643	2.222	50	40	BEGB	
N#Cc1ccccc1CN(C(=O)CCl)C1CC1	79420202	XGRNBUOJURQEFJ-UHFFFAOYSA-N	248.713	2.288	50	40	BEGB	
O=C(CBr)OC[C@H]1C[C@@H]2C=C[C@@H]1C2	100190563	YMUCCFYCQVTQAP-IWSPIJDZSA-N	245.116	2.137	50	40	BEGB	
CC1(C)[C@H]2CC=C(C[C@@H]3CC(=O)OC3=O)[C@@H]1C2	100494153	YARPWBYZMQQPAT-VWYCJHECSA-N	234.295	2.459	50	40	BEGB	
CCc1c(C)nn(CCC(=O)Cl)c1C	34927125	MCXPMLZWZXMQLM-UHFFFAOYSA-N	214.696	2.218	50	40	BEGB	
Cn1cc/c(=N\C=C(C#N)C#N)c2ccccc21	12341444	ORVZFBOINIDDAY-GHRIWEEISA-N	234.262	2.010	50	40	BEGB	
COc1ccc(C(=O)N/N=C/c2ccoc2)cc1	14015890	UCKIDAFAFFYCJD-RIYZIHGNSA-N	244.250	2.052	50	40	BEGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)O	4114269	WIGSRGGIUBUTLZ-DHZHZOJOSA-N	229.235	2.243	50	40	BEGB	
BrCCCN1CCCCC1	39375564	WCMWECARVLBXHJ-UHFFFAOYSA-N	206.127	2.257	50	40	BEGB	
O=C(NNC1CCCCC1)c1ccccc1	1729736	PSEGQGAZPYBNLY-UHFFFAOYSA-N	218.300	2.254	50	40	BEGB	
Cc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1	22124429	DTRFHZCFUCGHRH-SECBINFHSA-N	237.686	2.113	50	40	BEGB	
CC(C)(C)OC(=O)N1CC[C@@H](Cl)C1	72194517	BFJADPWUALFXHF-SSDOTTSWSA-N	205.685	2.235	50	40	BEGB	
CCCCC[C@@H](Br)C(=O)O	2035994	NQRFAUVGDLHPGH-ZCFIWIBFSA-N	209.083	2.415	50	40	BEGB	
BrCc1nc2ccccc2[nH]1	13284914	GTQILGWKIWRZSM-UHFFFAOYSA-N	211.062	2.458	50	40	BEGB	
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]1[C@@H]2Br	100227232	DPSPXRTZVZNQIK-XSPKLOCKSA-N	233.105	2.112	50	40	BEGB	
CC1(C)COCC[C@@H]1CBr	575631058	NWXBSNFPNDVPBJ-SSDOTTSWSA-N	207.111	2.444	50	40	BEGB	
O=C(O)COc1ccc(CBr)cc1	2392190	COFFWUSSQYARLB-UHFFFAOYSA-N	245.072	2.045	50	40	BEGB	
O=C(CCl)Nc1cccc(Cl)c1O	9236905	ZDKAQOBCSTYELX-UHFFFAOYSA-N	220.055	2.223	50	40	BEGB	
O=c1[nH]c(CCl)nc2cc(Cl)ccc12	13550895	TZKMSVDMQKWFBI-UHFFFAOYSA-N	229.066	2.315	50	40	BEGB	in-vitro
Br[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12	103911353	PAQFAVIIPCLMHD-VXCSOLLFSA-N	229.117	2.193	50	40	BEGB	
N#Cc1ccc(NC(=O)CCl)cc1Cl	3349431	FSBJKVDUYDPVGA-UHFFFAOYSA-N	229.066	2.389	50	40	BEGB	
C/C=N/NC(=O)COc1cccc2ccccc12	4263291	ITCFZWFGXGVSGY-RSSMCMFDSA-N	242.278	2.341	50	40	BEGB	
CCCCc1ccc(/C=N\NC(N)=O)s1	12410962	KPZYPASOCXSCQJ-GHXNOFRVSA-N	225.317	2.093	50	40	BEGB	
O=C1O[C@H](Br)c2ccc(F)cc21	169797481	MVFKYPBSKNRFBG-ZETCQYMHSA-N	231.020	2.390	50	40	BEGB	
COc1ccc(OC)c(C(=O)Cl)c1	2565980	YARKPRSRXZGKNI-UHFFFAOYSA-N	200.621	2.083	50	40	BEGB	in-vitro
C=CCOc1ccc(/C=N\NC(=O)C(C)C)cc1	58885372	YBSDUDJRQBJRGT-GDNBJRDFSA-N	246.310	2.358	50	40	BEGB	
CC[C@@H](C)n1c(CC(C)C)ccc1C(=O)NN	226022969	OKRFLUHWBVAKLM-SNVBAGLBSA-N	237.347	2.261	50	40	BEGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2N=C=S	4782917	BRPOQWPCHGVQFZ-XLDPMVHQSA-N	209.314	2.483	50	40	BEGB	
O=C(CCl)NCCCCc1ccccc1	6338938	JLYLPENIFFWWRQ-UHFFFAOYSA-N	225.719	2.364	50	40	BEGB	in-vitro
N#C/C(=C\c1cccc(F)c1)C(=O)N1CCCC1	16437909	RBNGEZAOSAXJPS-XYOKQWHBSA-N	244.269	2.355	50	40	BEGB	
CC1CCC(NC(=O)[C@@H](C)Cl)CC1	19802927	LLZCJQSORRHCSU-QJAFJHJLSA-N	203.713	2.309	50	40	BEGB	in-vitro
CCOC(=O)[C@@H](Br)c1ccncc1	68675248	MGHVHQLCGVMIPR-QMMMGPOBSA-N	244.088	2.081	50	40	BEGB	
O=C(Cl)[C@H]1CCCC[C@H]1C(=O)Cl	100338541	YKZFIPRBWVEQBE-OLQVQODUSA-N	209.072	2.324	50	40	BEGB	
NNC(=O)CCc1ccc(-c2ccccc2F)o1	171933300	XDNWRUBASGUPSU-UHFFFAOYSA-N	248.257	2.008	50	40	BEGB	
CCOC(=O)c1sc(N)c(SC#N)c1C	374380	ZVHGVWDEGAATHK-UHFFFAOYSA-N	242.325	2.389	50	40	BEGB	
ClCCCc1nnnn1C1CCCCC1	2584133	KKLPBIXVEVQXTF-UHFFFAOYSA-N	228.727	2.350	50	40	BEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(N)=O)[C@H]2Br	2666644	OUSRFFNMRBJHKQ-QUNWWBBNSA-N	246.148	2.062	50	40	BEGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCl	5547282	QBQQMOMVEZGHTF-UHFFFAOYSA-N	242.662	2.471	50	40	BEGB	
N#C[C@H](O)c1ccc(Br)cc1F	59261492	KIHZCXGBIKZKML-QMMMGPOBSA-N	230.036	2.145	50	40	BEGB	in-vitro
Cc1ccc(C(=O)N/N=C/c2ccccc2O)o1	5618435	SPEHFNUZSXTUPX-RIYZIHGNSA-N	244.250	2.058	50	40	BEGB	
C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	12403647	ASNVURYQQIMESY-JYRVWZFOSA-N	247.254	2.111	50	40	BEGB	
CCCCC(=O)N/N=C\c1ccccc1OC	17424233	ADEKVZWQQYOIFU-UVTDQMKNSA-N	234.299	2.336	50	40	BEGB	
O=[P+](c1ccccc1)c1ccccc1	45331659	YFPJFKYCVYXDJK-UHFFFAOYSA-N	201.185	2.465	50	40	BEGB	
CCOC(=O)C[C@@H](Cl)C(F)(F)F	72265753	STBCGAHPQSTVTR-SCSAIBSYSA-N	204.575	2.109	50	40	BEGB	in-vitro
COC(=O)c1ccc(F)c(CCl)c1	96675732	NLQDFKNBCFHDMM-UHFFFAOYSA-N	202.612	2.351	50	40	BEGB	in-vitro
C[C@H]1CC(C)(C)C[C@]2(CC(=O)OC2=O)C1	100915478	XQGJAQBFNIXTGN-QPUJVOFHSA-N	210.273	2.293	50	40	BEGB	
CCOC(=O)/C(C#N)=C\N(C)Cc1ccccc1	17061991	JSNRBTVVDSMCCO-QBFSEMIESA-N	244.294	2.089	50	40	BEGB	
O=C(CCl)NCC1(c2ccccc2)CCC1	32626883	ZKJCUASSISRGIP-UHFFFAOYSA-N	237.730	2.463	50	40	BEGB	in-vitro
O=[N+]([O-])c1ccc([C@H]2OC[C@H](CCl)O2)cc1	549138	KTCHZUQSHQYOGX-UWVGGRQHSA-N	243.646	2.248	50	40	BEGB	
BrC[C@H]1CC(c2ccco2)=NO1	217842277	GFDWRKPBIBEMPU-ZCFIWIBFSA-N	230.061	2.168	50	40	BEGB	
O=Cc1cc([N+](=O)[O-])ccc1OCCCl	95635510	JXNLLPVALFMECS-UHFFFAOYSA-N	229.619	2.025	50	40	BEGB	
CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(N)=O	408603080	QAFMGPSOLDWDTR-ZDIKFAODSA-N	244.294	2.256	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccco1	100616498	OECOHRVWINQQES-MAWBYYTLSA-N	232.283	2.431	50	40	BEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccn1	75618	UFHVNJIPPMYVHJ-UHFFFAOYSA-N	244.206	2.209	50	40	BEGB	biogenic
CC1CCC(C#N)(N(C)C(=O)CCl)CC1	2619126	GBUSHWBESOLAKN-UHFFFAOYSA-N	228.723	2.156	50	40	BEGB	
CC1(C(=O)NNC(=O)c2ccccc2)CCCC1	60796414	XIQBLCQSMLBJGH-UHFFFAOYSA-N	246.310	2.028	50	40	BEGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(C)cc1	100205504	KDMYZZUPYLVGAF-LUAWRHEFSA-N	230.267	2.378	50	40	BEGB	
C/C(=N\NC(=O)C1CC1)c1ccc(C)cc1	5164115	RGPVYXXNGLFHHS-GXDHUFHOSA-N	216.284	2.245	50	40	BEGB	
O=C(CBr)NCC1CCCCC1	41719836	REBBVMCUZYBHKW-UHFFFAOYSA-N	234.137	2.078	50	40	BEGB	
N#C[C@H](C(=O)CBr)c1ccccc1	3445942	SOGLZSJNZSEDMH-VIFPVBQESA-N	238.084	2.258	50	40	BEGB	
O=C(CCl)N1CCCn2c1nc1ccccc12	20153972	ZPCSCCMKHPGCNS-UHFFFAOYSA-N	249.701	2.012	50	40	BEGB	
CC1=C[C@@H]2C=C(C=O)C(Cl)=N[C@@H]2C=C1	3883575	ULRUSTJZUWACSI-PSASIEDQSA-N	207.660	2.264	50	40	BEGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(C)=O)cc1	409010653	CTSJLWVXXSZUSJ-GMROUXNLSA-N	234.299	2.334	50	40	BEGB	
O=C1C[C@H](CCCc2ccccc2)C(=O)O1	104250995	FCXLUBZHFBRSMQ-NSHDSACASA-N	218.252	2.099	50	40	BEGB	
C[C@H](F)[C@@H](C)I	238449369	FPYZVHUYVYYUAI-IUYQGCFVSA-N	202.010	2.168	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cccnc1	5676439	VHKDIJVGHHZMCU-VETDHQSRSA-N	241.294	2.009	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccc(OC)cc1	50977984	CONABPXNCHINFM-VIFPVBQESA-N	214.648	2.148	50	40	BEGB	
O=C(Cl)CCc1ccc([N+](=O)[O-])c(F)c1	98213488	CCDJWMCKCFUOTJ-UHFFFAOYSA-N	231.610	2.432	50	40	BEGB	
CC1(C)[C@H]2C[C@H]3[C@H](CC[C@H]4C(=O)OC(=O)[C@H]34)[C@@H]1C2	103899866	VGXLDXXABXEBLX-HGWFIAQESA-N	248.322	2.394	50	40	BEGB	
C[Si](C)(C)OC(=O)/C=C/CBr	196223541	GXBZWSOCDQRPJV-SNAWJCMRSA-N	237.169	2.316	50	40	BEGB	
Cc1ccsc1/C=C(\C#N)C(=O)NC(C)C	4506785	VCUGXNAZUOLJNZ-UXBLZVDNSA-N	234.324	2.488	50	40	BEGB	
C[C@H]1CN(C)[C@H](c2ccccc2)[C@H](C)[C@]1(O)C#N	97949753	YYWGOFGEYIAJJS-JURCDPSOSA-N	244.338	2.200	50	40	BEGB	
O=C1c2ccccc2C(=O)N1C/C=C/CCl	2506539	VSGHWUAHVBTJIU-ONEGZZNKSA-N	235.670	2.078	50	40	BEGB	
O=C(Cc1ccccc1)N/N=C\c1cccs1	13113880	RAFJTHHORYWJDF-UVTDQMKNSA-N	244.319	2.441	50	40	BEGB	
O=NN(CCCl)C(=S)NC1CCCCC1	17108501	ZJAWPSOAROEISR-UHFFFAOYSA-N	249.767	2.416	50	40	BEGB	
O=C1Nc2ccccc2O[C@@H]1CCCl	38700842	INCAQECSMCHXJT-SECBINFHSA-N	211.648	2.015	50	40	BEGB	
CCOc1ccccc1/C=C(/C#N)C(=O)N(C)C	59334906	AVYJYYVTKGUECK-XFXZXTDPSA-N	244.294	2.080	50	40	BEGB	
CC1(C)[C@@]2(C)CC[C@]1(N)[C@@H]2Br	85398815	BMTYUXQSZCZYBW-YEPSODPASA-N	218.138	2.287	50	40	BEGB	
O=C1c2cccc(F)c2O[C@H]1Br	103571511	GFQSXLSRQROHND-MRVPVSSYSA-N	231.020	2.122	50	40	BEGB	
COc1cccc(C(=O)N/N=C/c2ccco2)c1	369292	UZMRPUGNPHPXOH-NTEUORMPSA-N	244.250	2.052	50	40	BEGB	
CC[C@H](C)NC(=O)[C@@H](Br)C(C)C	19429599	FOIQOQJYXJRHIR-YUMQZZPRSA-N	236.153	2.321	50	40	BEGB	
Cc1c(NC(=O)CCCl)cccc1[N+](=O)[O-]	32626845	JBXFXIYQGXSQKL-UHFFFAOYSA-N	242.662	2.471	50	40	BEGB	in-vitro
ClCc1nc(CCl)nc(CCl)n1	269425	RICRAVHJCLFPFF-UHFFFAOYSA-N	226.494	2.088	50	40	BEGB	biogenic
CC(=O)OC[C@@](C)(C(=O)Cl)c1ccccc1	1593038	SZFABOSRLQNUBG-GFCCVEGCSA-N	240.686	2.273	50	40	BEGB	
COC(=O)[C@H](Cl)c1cc(F)ccc1F	50978087	GCDGKSGBGFCCLD-MRVPVSSYSA-N	220.602	2.418	50	40	BEGB	
COc1cc(C(=O)[C@@H](C)Cl)ccc1O	71455476	RSGCVNHRLABSCX-ZCFIWIBFSA-N	214.648	2.211	50	40	BEGB	
COc1cc(C#N)cc(CBr)c1	95836329	RPCBOONVWDCPDR-UHFFFAOYSA-N	226.073	2.462	50	40	BEGB	
CC(C)CN1CC[C@@H](CBr)C1	87760239	ZIHWFAKLOPMFCX-VIFPVBQESA-N	220.154	2.359	50	40	BEGB	
NC(=O)N[C@@H](c1ccccc1)C(Cl)Cl	3138934	JNPOYQJGDIAMQR-ZETCQYMHSA-N	233.098	2.200	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1cccs1	4721989	RULXBTAXOUSEDI-VURMDHGXSA-N	207.254	2.218	50	40	BEGB	in-vitro
C/C(CCC1CCCCC1)=N\NC(N)=O	5742862	OTLBWZLUUMEBCS-UKTHLTGXSA-N	211.309	2.391	50	40	BEGB	
CCOC(=O)[C@H](Cc1ccccc1)N=C=S	6645481	YQTZICAZVVTABT-NSHDSACASA-N	235.308	2.264	50	40	BEGB	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)CCl	17040390	DAFSFIUMRVWVBV-PLNGDYQASA-N	225.631	2.416	50	40	BEGB	
ClCN1CCn2c1nc1ccccc12	20534066	XTYIFEZVYMSADI-UHFFFAOYSA-N	207.664	2.053	50	40	BEGB	
CC(=O)N(c1nc(CCl)cs1)C1CC1	68592112	ORMXNHDRBMVEGN-UHFFFAOYSA-N	230.720	2.397	50	40	BEGB	
C[C@@H](Br)C(=O)c1ccccn1	39055613	YUHLUAKEWIXBCM-ZCFIWIBFSA-N	214.062	2.048	50	40	BEGB	
C[C@H](Br)C(=O)N1CCCC[C@H]1C	41671925	ODMJVSPHJAURSZ-SFYZADRCSA-N	234.137	2.171	50	40	BEGB	
C=C(C[C@@H]1CC(=O)OC1=O)CC(C)(C)C	100011635	XAYJXUKJLBCHEQ-SECBINFHSA-N	210.273	2.459	50	40	BEGB	
NNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1	3200714	MTXOIGHCNMMMPK-SOFGYWHQSA-N	246.241	2.089	50	40	BEGB	
C[C@@]1(CCl)N(O)C2=C(CCCC2)[N+]1=O	15979524	ZUCHTHZCCXWSCX-SECBINFHSA-N	217.676	2.211	50	40	BEGB	
COC(=O)C(=O)[C@@H](Cl)c1ccc(C)cc1	82540556	SJZWGZDVQIMLDL-VIFPVBQESA-N	226.659	2.017	50	40	BEGB	
COC(=O)c1cccc(CSC#N)c1	201987066	PMOYVMYUFKGACL-UHFFFAOYSA-N	207.254	2.187	50	40	BEGB	
O=C(O)c1cccc(F)c1CBr	1722306	MBDWCWUDDXKTDU-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2cccnc2)s1	32578333	BNOLJYUIXMCNRH-ZSOIEALJSA-N	245.307	2.215	50	40	BEGB	
O=C1O[C@@H](CCl)CN1c1ccc(F)cc1	38478230	RMTPDKPOZFDWEA-VIFPVBQESA-N	229.638	2.390	50	40	BEGB	
O=C(CCN1CCCCC1)NNc1ccccc1	5684107	JZTJPPCALOBELV-UHFFFAOYSA-N	247.342	2.006	50	40	BEGB	
O=C1Nc2ccccc2O[C@H]1CCCl	38700840	INCAQECSMCHXJT-VIFPVBQESA-N	211.648	2.015	50	40	BEGB	
Cc1ccnc(Br)c1N=C=O	242548491	LNUWFDFZIZFSOE-UHFFFAOYSA-N	213.034	2.120	50	40	BEGB	
O=NN(CCCl)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2	100372123	VGFFLHYAQABHTR-CIUDSAMLSA-N	245.710	2.107	50	40	BEGB	
CCCCOC(=O)N/N=C/c1cccc(C)n1	59484692	APKVQWCAGZEMFF-UKTHLTGXSA-N	235.287	2.250	50	40	BEGB	
CC/C(C)=N/NC(=O)[C@H](OC)c1ccccc1	408719390	DGAZKKGDDGNZFG-HLVNSREUSA-N	234.299	2.276	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1F	40868937	ZVODQDDNKSGZHO-XFFZJAGNSA-N	232.258	2.257	50	40	BEGB	
C/C(=N\NC(=O)c1ccoc1C)c1ccco1	32445	SSAYSFCCUGSYJM-MDWZMJQESA-N	232.239	2.335	50	40	BEGB	
CCC(CC)[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	4074252	VXYFHUVLLRTRPN-NSHDSACASA-N	246.314	2.324	50	40	BEGB	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C=C1C=O	1531865072	LJWODXAAZXYQPT-SECBINFHSA-N	225.288	2.346	50	40	BEGB	
C[C@@H]1CCCN(C(=O)[C@@H](C)Br)C1	41738298	AOEQZEUUTTZQRC-HTQZYQBOSA-N	234.137	2.028	50	40	BEGB	
CC(C)CN1CC[C@H](CBr)C1	87760237	ZIHWFAKLOPMFCX-SECBINFHSA-N	220.154	2.359	50	40	BEGB	
Cn1cccc1C(=O)N/N=C/[C@H]1CC=CCC1	95938985	SJTOAPGBAUMGCX-IWQAVIMZSA-N	231.299	2.097	50	40	BEGB	
COC(=O)[C@@H](N=C=S)c1ccccc1	50512071	SCWSLEVKFWIFPI-VIFPVBQESA-N	207.254	2.004	50	40	BEGB	
COC(=O)/C(C#N)=C\c1ccc(C)s1	42521	OMQZMFNONMIFMI-YVMONPNESA-N	207.254	2.137	50	40	BEGB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CCl	4218980	HHQVWQLHIHVNGR-UHFFFAOYSA-N	228.635	2.081	50	40	BEGB	in-vitro
O=C(CCl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	35222749	YPZAICAWEBJFND-RNFRBKRXSA-N	243.656	2.463	50	40	BEGB	
CCN(C(=O)CCl)c1ccc(F)cc1	4206172	FVMCZMNCHWFXQS-UHFFFAOYSA-N	215.655	2.417	50	40	BEGB	in-vitro
CN(C(=O)CCCl)C1CCCCC1	5718352	FTVIMNLJNZPMDZ-UHFFFAOYSA-N	203.713	2.406	50	40	BEGB	
C/C(Cc1ccccc1)=N\NC(=O)C1CC1	15938370	FXJHZQLABHKJAZ-GXDHUFHOSA-N	216.284	2.131	50	40	BEGB	
O=C1OC(=O)c2ccc(S)c3cccc1c23	104160464	PQVNEWCHEGZDPV-UHFFFAOYSA-N	230.244	2.439	50	40	BEGB	
CCOC(=O)N/N=C/c1c(F)cccc1F	3235441	NVSBWGFBOPDHST-AWNIVKPZSA-N	228.198	2.045	50	40	BEGB	
C[C@H]1C(=O)Nc2ccc(C(=O)CCl)cc21	4207153	SAYAASKDUFAACE-ZCFIWIBFSA-N	223.659	2.164	50	40	BEGB	in-vitro
CCOC(=O)N/N=C\c1ccccc1C	5049250	DAVYYRWYGOSNOL-WQLSENKSSA-N	206.245	2.075	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1ccc(C#N)cc1	3887333	YJKWYWDSLSGVDW-ZETCQYMHSA-N	208.648	2.124	50	40	BEGB	in-vitro
O=C(N/N=C/C1CCCCC1)c1cccnc1	4490159	RZDYAGJCMUQQKO-OQLLNIDSSA-N	231.299	2.378	50	40	BEGB	
Br[C@H]1CCNc2ccncc21	41058398	FRFWITTUEVJUTJ-ZETCQYMHSA-N	213.078	2.333	50	40	BEGB	
ClCc1nc2ncc(Br)cc2[nH]1	43460983	HOLWVXFJMTYFQR-UHFFFAOYSA-N	246.495	2.459	50	40	BEGB	in-vitro
O=C(c1ccc2c(c1)OCCO2)C(Cl)Cl	100022953	FTVGPRBYUWPNSG-UHFFFAOYSA-N	247.077	2.444	50	40	BEGB	
CC1CC(COCCBr)C1	252492363	MJWRAYGLHBJLQV-UHFFFAOYSA-N	207.111	2.444	50	40	BEGB	
Cc1nc(/C=C(/N)C#N)cn1-c1ccccc1	101669130	YFTQLKREOAIMPA-YRNVUSSQSA-N	224.267	2.004	50	40	BEGB	
CCn1cc(-c2cnc(CCl)o2)cn1	96525743	SZJKUGYOMQJRAE-UHFFFAOYSA-N	211.652	2.297	50	40	BEGB	
CCOC(=O)/C(C#N)=C(\C)c1ccccc1O	16952657	XRULGEOQRYPCDU-PKNBQFBNSA-N	231.251	2.252	50	40	BEGB	
N#CC(C#N)=C(C#N)c1c[nH]c2ccccc12	1669379	OXWKGNTUTLLMEW-UHFFFAOYSA-N	218.219	2.492	50	40	BEGB	
Cc1csc(NNC(=O)c2ccccc2)n1	3765502	DVMUDUNVSMTOGN-UHFFFAOYSA-N	233.296	2.208	50	40	BEGB	
C[C@H](c1ccccc1)N(C)C(=O)CCl	4205436	QBURJKXCINMVEV-SECBINFHSA-N	211.692	2.445	50	40	BEGB	
CCCCOC(=O)[C@H](C)Br	14807153	INMAEXGIVZJYIJ-LURJTMIESA-N	209.083	2.113	50	40	BEGB	in-vitro
O=C(O)CCCC[C@@H](F)CBr	98174878	PKFHNCCJXSTBMV-ZCFIWIBFSA-N	227.073	2.364	50	40	BEGB	
[C-]#[N+][C@H](Cc1ccccc1)C(=O)N1CCCC1	100263222	VXAXHJLDFHOWLK-CYBMUJFWSA-N	228.295	2.139	50	40	BEGB	
O=C(CBr)c1cccc(F)c1O	328578560	OWRXYCNQRGNICR-UHFFFAOYSA-N	233.036	2.109	50	40	BEGB	
CC(=O)N/N=C/c1c(Cl)cccc1Cl	3094638	WWJJGGAUHRLMFV-LFYBBSHMSA-N	231.082	2.463	50	40	BEGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccccc1O	5945828	SNCZJVGXKKDFKM-BFQJWLLSSA-N	242.278	2.074	50	40	BEGB	
CCN(Cc1ccc(F)cc1)C(=O)CCl	79418672	KMIJKOGMCSDVOI-UHFFFAOYSA-N	229.682	2.413	50	40	BEGB	
COC(=O)c1cc(CCCCl)nc(Cl)n1	85395081	IYTQMLKVBUKTPV-UHFFFAOYSA-N	249.097	2.088	50	40	BEGB	
O=C(Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1	98213517	GFNGCLIQAVCWPR-UHFFFAOYSA-N	224.603	2.455	50	40	BEGB	
CN(C)NC(=O)Nc1ccc2ccccc2c1	1758597	AQLUKTLWXNYXFY-UHFFFAOYSA-N	229.283	2.438	50	40	BEGB	
C[C@H](NC(=O)NCCCl)c1ccccc1	6437462	ICTVPPGDQKBWNY-VIFPVBQESA-N	226.707	2.286	50	40	BEGB	
C[C@]1(c2ccccc2)CC[C@@H]2C(=O)OC(=O)[C@@H]2C1	98042692	FHXWBKINEAZKEX-ZOWXZIJZSA-N	244.290	2.444	50	40	BEGB	
COC(=O)/C(C#N)=C/c1ccc(Cl)cc1	99824	PZMKZVIGENYNFE-RMKNXTFCSA-N	221.643	2.420	50	40	BEGB	
COc1ccc(NC=C(C#N)C#N)cc1OC	125358	WMZIWEMKWUXHBE-UHFFFAOYSA-N	229.239	2.047	50	40	BEGB	
CC(=O)N/N=C/c1cc(Cl)c(O)c(Cl)c1	4510444	FYMARHYDCMKERD-UUILKARUSA-N	247.081	2.169	50	40	BEGB	
CC(C)(C)[Si](C)(C)OCc1cc(=N)[nH][nH]1	575432144	SKJCLHGJPHUGGY-UHFFFAOYSA-N	227.384	2.344	50	40	BEGB	
ClC[C@@H]1CO[C@H](c2ccc3c(c2)OCO3)O1	1674895	GGVRTQFRYSUGCB-KCJUWKMLSA-N	242.658	2.068	50	40	BEGB	
CCOc1cc(C=O)ccc1OC(=O)CCl	275657	XKYXIOLLSAFYRF-UHFFFAOYSA-N	242.658	2.042	50	40	BEGB	
CC(C)[C@H](Br)C(=O)N1CCCCC1	19384895	NWPLYOWYQKNZNZ-VIFPVBQESA-N	248.164	2.418	50	40	BEGB	in-vitro
O=C1CC(c2ccc(Cl)cc2)CC(=O)O1	72399599	OCZRLOJECISNAO-UHFFFAOYSA-N	224.643	2.287	50	40	BEGB	in-vitro
OB(O)CCCc1cccc2ccccc12	216544006	TZTLATWBEWHGFC-UHFFFAOYSA-N	214.073	2.245	50	40	BEGB	
O=C1N[C@H](c2ccc(Cl)c(Cl)c2)C(=O)O1	1772714794	VYYZTKPFFGZVSO-SSDOTTSWSA-N	246.049	2.301	50	40	BEGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccccc1O	58573	KBPHACZLQCYTHO-HGLKBHAMSA-N	244.294	2.464	50	40	BEGB	
CC(C)(C)c1nnc(NC(=O)CCl)s1	870027	QGFUIOYVGOURCJ-UHFFFAOYSA-N	233.724	2.013	50	40	BEGB	
C/C=N\N(C)C(=O)COc1ccc(Cl)cc1	19851045	YJEAQIPKPWWOHF-DXNYSGJVSA-N	240.690	2.183	50	40	BEGB	
COc1cc2c(cc1C=C(C#N)C#N)O[C@@H](C)C2	23100799	XFKBCJBXNORZIR-VIFPVBQESA-N	240.262	2.449	50	40	BEGB	
CCN(Cc1cccc(C#N)c1)C(=O)CCl	79420765	FAMHTPPVQAOUFP-UHFFFAOYSA-N	236.702	2.146	50	40	BEGB	
O=C1C[C@@H](Cl)C(=O)N1c1ccc(Cl)cc1	100746729	ZSCVNWGUPQHEMB-MRVPVSSYSA-N	244.077	2.211	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C/c1cccs1	4506759	WBZMJSOGTCYWDB-RMKNXTFCSA-N	220.297	2.180	50	40	BEGB	
C[C@@H](Cl)C(=O)NCc1ccccc1F	19486186	KEXAYYLFTCRYHE-SSDOTTSWSA-N	215.655	2.069	50	40	BEGB	
Cc1ccsc1/C=C(/C#N)C(=O)NC(C)C	38194944	VCUGXNAZUOLJNZ-POHAHGRESA-N	234.324	2.488	50	40	BEGB	
CC1(C)[C@@H](C/C=N/NC(N)=O)[C@@H]2CC[C@@H]1C2	100877892	KRGNEQSPPKUQAK-QRTNXLMBSA-N	223.320	2.103	50	40	BEGB	
CN1C(=CC=O)C(C)(C)c2ccccc21	1857775755	GCECACVNILMTRD-UHFFFAOYSA-N	201.269	2.497	50	40	BEGB	
CCOc1cc2c(cc1C=C(C#N)C#N)OCO2	798133	XGOFVGZKAVQWOC-UHFFFAOYSA-N	242.234	2.245	50	40	BEGB	
COC(=O)/C(C#N)=C(/C)c1ccccc1	95725654	MMZBOJAMZZUGPN-LUAWRHEFSA-N	201.225	2.157	50	40	BEGB	
O=C=Nc1cscc1Br	12370497	HVJDEHSHJHNENX-UHFFFAOYSA-N	204.048	2.478	50	40	BEGB	in-vitro
C[C@H]1CCC[C@@H](NC(=O)CCl)[C@@H]1C	5677502	SJQAZCTZMYEFHA-DJLDLDEBSA-N	203.713	2.166	50	40	BEGB	
COc1cc(/C=N/NC(=O)C(C)C)ccc1C	9483435	OPUQLTXOHDMYTA-RIYZIHGNSA-N	234.299	2.110	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1	12341383	MCZHHCGRDBLWOS-OVCLIPMQSA-N	246.241	2.491	50	40	BEGB	
COC(=O)c1ccccc1C[C@H](C#N)SC#N	107754	DUMLWHTUHSKNIY-SNVBAGLBSA-N	246.291	2.122	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1c(F)cccc1F	3262603	ZYVSQXGZYQEJLN-VQHVLOKHSA-N	248.232	2.174	50	40	BEGB	
Cc1ccc(/C=C(/C#N)C(=O)NC(C)C)o1	3304552	YDOALZAICDMMBZ-POHAHGRESA-N	218.256	2.020	50	40	BEGB	
COC(=O)[C@@H](Cl)c1cccc(F)c1	50977708	LRGZIEJDQLKLCK-QMMMGPOBSA-N	202.612	2.279	50	40	BEGB	
O=S(=O)(SC(F)F)c1ccccc1	1848351051	NPYLAQOEYDMMJT-UHFFFAOYSA-N	224.253	2.331	50	40	BEGB	
CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@H]2C(=O)OC(=O)[C@H]12	108559234	WGCKYCGUJYPRCV-IRCOFANPSA-N	234.295	2.481	50	40	BEGB	biogenic
CC[C@@H](CBr)[n+]1ccccc1	5468017	NOJJXLVJIWSUMI-VIFPVBQESA-N	215.114	2.320	50	40	BEGB	
CC(C)Oc1ccc(CNC(=O)CCl)cc1	39390193	SSGHTDMKGDRJPD-UHFFFAOYSA-N	241.718	2.329	50	40	BEGB	
CC(=O)Oc1cccc(C=C(C#N)C#N)c1	34094	FJLLFJWWTTXEQM-UHFFFAOYSA-N	212.208	2.042	50	40	BEGB	
CC(=O)N/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C	4964171	FFTKQXMPLXIUPM-XFAIUPSKSA-N	208.305	2.325	50	40	BEGB	
O=C(NCc1ccc(F)cc1)C(Cl)Cl	5673757	OSSMBHYTALYCGP-UHFFFAOYSA-N	236.073	2.246	50	40	BEGB	
Cc1csc(/C(C#N)=C/c2ccn(C)n2)n1	6925361	XOFBVJDAIOWRLU-WEVVVXLNSA-N	230.296	2.249	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1ccc(C#N)cc1	8653229	NDRZEZOQINRJMQ-GHXNOFRVSA-N	226.235	2.028	50	40	BEGB	
CC(C)C12C[C@@H]3C[C@@H](CC(C(=O)NN)(C3)C1)C2	13306677	YRDJRMGJSXUGFL-WHCAJBEMSA-N	236.359	2.219	50	40	BEGB	
Cc1ccc(C(=O)/C(C#N)=C/N(C)C)cc1	29753683	FNUVUUPRYIYVRL-FMIVXFBMSA-N	214.268	2.147	50	40	BEGB	
O=S1(=O)C[C@@]23CC=CC[C@@]2(CCC3)[C@@H]1Cl	45070627	UOJKVQLSIHFTMP-OUAUKWLOSA-N	246.759	2.486	50	40	BEGB	
CCOC(=O)N/N=C/c1ccccc1OCC	171976	IRLIIJWNOQQCID-UKTHLTGXSA-N	236.271	2.165	50	40	BEGB	
O=[N+]([O-])c1ccc([C@@H]2OC[C@@H](CCl)O2)cc1	549136	KTCHZUQSHQYOGX-NXEZZACHSA-N	243.646	2.248	50	40	BEGB	
CO[Si](CCCC#N)(CCCC#N)OC	170013196	FQKGSCOHCDSKAC-UHFFFAOYSA-N	226.352	2.329	50	40	BEGB	
CC(C)CC(=O)N/N=C1/C[C@H]2C=CC[C@H]12	5906964	XJUPDZASDXCRDZ-DREUUTDHSA-N	206.289	2.101	50	40	BEGB	
CC(=O)N/N=C/C(C)=C/c1ccccc1	5725139	DZJOGGNULPQLQG-IAQVKYGWSA-N	202.257	2.212	50	40	BEGB	
Cc1csc(NC(=O)CCCCl)n1	5748687	IOTKQLIYSKZWFN-UHFFFAOYSA-N	218.709	2.409	50	40	BEGB	
CC[C@H](Br)C(=O)NC1CC(C)C1	85395892	VOBPVGSDYPEMMP-RRQHEKLDSA-N	234.137	2.075	50	40	BEGB	
Cl[C@H](CN1CCOCC1)c1ccccc1	23583891	ARZJEJJMKGJDDN-GFCCVEGCSA-N	225.719	2.299	50	40	BEGB	
O=C(Br)C(F)(F)C(F)(F)F	34743892	FNEKGVCFIGGBOZ-UHFFFAOYSA-N	226.926	2.106	50	40	BEGB	
C[C@H](Cc1c(F)cccc1F)NC(=O)CCl	37654200	SZEMVUWHJWLLPV-SSDOTTSWSA-N	247.672	2.251	50	40	BEGB	in-vitro
Br[C@H]1CCOC2(CCC2)C1	88107929	FTEWGHWHMRMMML-ZETCQYMHSA-N	205.095	2.483	50	40	BEGB	
N#C/C(=C/c1ccccc1Cl)C(=O)O	95911163	SPTXWNXTYIDOON-YVMONPNESA-N	207.616	2.332	50	40	BEGB	
N#CC(C#N)=C(N)/C(C#N)=C/C=C/c1ccco1	97964117	OZLQEDSPICVKML-SNYYELSHSA-N	236.234	2.003	50	40	BEGB	
C[C@H]1CC[C@@H]2CCCC[C@@H]2/C1=N\NC(N)=O	104255189	WWVLXISZVLCBQT-DQTVOLGSSA-N	223.320	2.247	50	40	BEGB	
CCCC/C=N/NC(=O)c1ccc(N)cc1	4737300	OIUKIDCOFAPNJV-NTEUORMPSA-N	219.288	2.175	50	40	BEGB	
CC1CCC(NC(=O)[C@H](C)Cl)CC1	19802928	LLZCJQSORRHCSU-MGURRDGZSA-N	203.713	2.309	50	40	BEGB	in-vitro
O=C(CCl)Cc1c(F)cccc1F	87448567	AAKKLVBLZWKHEL-UHFFFAOYSA-N	204.603	2.315	50	40	BEGB	
Cc1cc(-c2noc(CCl)n2)ccn1	96032023	SOVYZWKIKIFCMP-UHFFFAOYSA-N	209.636	2.179	50	40	BEGB	
N#CCSc1ccccc1NC(=O)CCl	3887089	PSQPTDYINCRYJB-UHFFFAOYSA-N	240.715	2.480	50	40	BEGB	
Cc1noc(-c2ccc(C(=O)Cl)cc2)n1	12370445	GCORHRRKXNSGLW-UHFFFAOYSA-N	222.631	2.424	50	40	BEGB	
CC1(C)[C@H]2CC[C@]1(C(=O)Cl)C(=O)C2	45071173	SFQJZTMMKIFIGJ-QUBYGPBYSA-N	200.665	2.147	50	40	BEGB	
CC(=O)N/N=C/c1cccn1-c1ccccc1C	409020231	MWOLGGIDHQIMOT-XNTDXEJSSA-N	241.294	2.256	50	40	BEGB	
CSc1nccc(CBr)n1	1436135	NQXTUWGQPKLTQI-UHFFFAOYSA-N	219.107	2.093	50	40	BEGB	
ClC[C@H]1CO[C@H]([C@H]2CC=CCC2)O1	4706099	UWVVFCPWRRMIFU-GUBZILKMSA-N	202.681	2.323	50	40	BEGB	
BrC[C@H]1CN=C(c2cccs2)O1	12505630	JNPIBXWWOPXVDZ-LURJTMIESA-N	246.129	2.288	50	40	BEGB	
C/C(=C/[C@H]1CC(=O)OC1=O)CC(C)(C)C	104364659	VAWNKQGQEGSSNK-RDOCRHDPSA-N	210.273	2.459	50	40	BEGB	
O=C/C=C/c1coc2ccc(F)cc2c1=O	2274768	OUCLRJGZNJLFCZ-OWOJBTEDSA-N	218.183	2.144	50	40	BEGB	
Cc1cccc(C(=O)NN=C2CCCC2)c1O	16971430	RTDAUCYZBXPQKR-UHFFFAOYSA-N	232.283	2.360	50	40	BEGB	
CC(=O)Oc1c(C)cccc1C(=O)Cl	39214693	IUMLXMMQIRVXME-UHFFFAOYSA-N	212.632	2.299	50	40	BEGB	
N#C/C(=C\c1ccccc1F)C(=O)NC1CC1	45295710	LKMGCUPHJPFSAW-JXMROGBWSA-N	230.242	2.011	50	40	BEGB	
C/C(=N/NC(=O)c1cccc(N)c1)c1ccco1	45784	JYAKZOIEQMZICV-DHDCSXOGSA-N	243.266	2.016	50	40	BEGB	
Nc1ccc(/C=C/C2(CCl)OCCO2)cc1	1697079	JNIBNNJWQQUVFI-AATRIKPKSA-N	239.702	2.264	50	40	BEGB	
CC(C)n1nccc1NC(=O)[C@H](C)Cl	3394488	YIYHEKWPQOHKFS-ZETCQYMHSA-N	215.684	2.030	50	40	BEGB	
COC(=O)[C@H](Cl)c1cccc(C#N)c1	70453739	ANUJRPHRZIUHOG-SECBINFHSA-N	209.632	2.011	50	40	BEGB	in-vitro
C[C@H](Br)c1ccc(C#N)cn1	148942100	RKHOBFIUGKHINZ-LURJTMIESA-N	211.062	2.409	50	40	BEGB	
COc1ccc(OC)c(OC(=O)Cl)c1	2362803672	VWLPXJFTGJJLFI-UHFFFAOYSA-N	216.620	2.441	50	40	BEGB	
N#CS[C@@H](CN1CCCC1)C(F)(F)F	55112356	QSIFSXKWTVBOAZ-ZETCQYMHSA-N	224.251	2.227	50	40	BEGB	
O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccccc1O	104045009	DKXXKFGVKUORKZ-KDHZCHSCSA-N	244.294	2.298	50	40	BEGB	
CC(C)c1ccccc1-n1cccc1C(=O)NN	223734397	DOBUHAKIFSUHGH-UHFFFAOYSA-N	243.310	2.204	50	40	BEGB	
CN(C)c1ccc(NC(=O)NCCCl)cc1	1614880	IXVYGUGUBGAJLW-UHFFFAOYSA-N	241.722	2.113	50	40	BEGB	
CCCC(=O)N/N=C/c1ccc(F)cc1	5417369	XBWDTKWGDMRNRL-MDWZMJQESA-N	208.236	2.076	50	40	BEGB	
CC1(C)C(=O)Nc2ccc(C(=O)CCl)cc21	34433326	DYFQBCCRZMIKMW-UHFFFAOYSA-N	237.686	2.338	50	40	BEGB	in-vitro
CC1(C)OB([C@H](N)CCCCCl)OC1(C)C	1307209429	OKKITCAAOMJTHT-SECBINFHSA-N	247.575	2.354	50	40	BEGB	
O=NN(CCCl)C(=O)Nc1ccccc1	5933904	NTFJBCLCDARIRQ-UHFFFAOYSA-N	227.651	2.441	50	40	BEGB	
C[C@@H](Cl)C(=O)NC1CCCCCC1	8074993	FRWGFIWRNMFYNE-MRVPVSSYSA-N	203.713	2.453	50	40	BEGB	in-vitro
O=C(CCl)N[C@@H]1CCc2ccccc21	34307541	PXOJBWMHNNIZLL-SNVBAGLBSA-N	209.676	2.029	50	40	BEGB	in-vitro
Fc1ccccc1-n1cc(CCl)nn1	52224999	XONDFUFXPBEWMF-UHFFFAOYSA-N	211.627	2.145	50	40	BEGB	
O=c1cc(-c2ccccc2)nc(CCl)[nH]1	72207447	APOGDTWXRDNFGM-UHFFFAOYSA-N	220.659	2.176	50	40	BEGB	
Cn1nccc1-c1csc(CCl)n1	96528233	SIFNWORZMWGNQB-UHFFFAOYSA-N	213.693	2.282	50	40	BEGB	
COc1ccccc1[C@H](C)NC(=O)CCl	3407822	FULKALPYHHSNAS-QMMMGPOBSA-N	227.691	2.111	50	40	BEGB	in-vitro
O=C(N/N=C\c1ccco1)c1ccccc1	4579363	FLSCWWXUVAYOLY-LCYFTJDESA-N	214.224	2.044	50	40	BEGB	
O=C(N/N=C\c1ccsc1)c1ccccc1O	33447692	NTVKRIJTUUCOSS-QPEQYQDCSA-N	246.291	2.218	50	40	BEGB	
O=C(CCl)Nc1cc(Cl)ccc1C(=O)O	3246439	MQBUFMHSXZTGPL-UHFFFAOYSA-N	248.065	2.216	50	40	BEGB	
CCOC(=O)N/N=C(/C)c1cccs1	5315580	PAYRZDBWIVXDFT-YFHOEESVSA-N	212.274	2.218	50	40	BEGB	
C#CCOc1cccc(C=C(C#N)C#N)c1	5638385	KBPHYGCMDAJIHT-UHFFFAOYSA-N	208.220	2.129	50	40	BEGB	
CC(C)(C)CC(=O)NCCCBr	36721345	CXZJRAGEAOJPGL-UHFFFAOYSA-N	236.153	2.324	50	40	BEGB	
C/C(=N/NC(=O)c1ccco1)c1ccco1	28629	SOBUKTXLTJVEDH-WQLSENKSSA-N	218.212	2.027	50	40	BEGB	
CC1=C[C@H](O)N2C(=C1C#N)Nc1cc(C)ccc12	5547763	SYCKEDDVSTWOEF-ZDUSSCGKSA-N	239.278	2.240	50	40	BEGB	
COC(=O)/C(C#N)=C1/C=Cc2ccccc2N1C	12341502	XKFWFKGSSUJGEB-QBFSEMIESA-N	240.262	2.100	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C\c1cccs1	33584476	WBZMJSOGTCYWDB-TWGQIWQCSA-N	220.297	2.180	50	40	BEGB	
C[C@H]1CCCN(C(=O)[C@@H](C)Br)C1	41738301	AOEQZEUUTTZQRC-JGVFFNPUSA-N	234.137	2.028	50	40	BEGB	
COc1cccc(CBr)c1O	144046191	GRZFXLFHEKUUDE-UHFFFAOYSA-N	217.062	2.296	50	40	BEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCCC2	128780	DEFAKIWOJUKDFS-UHFFFAOYSA-N	244.294	2.278	50	40	BEGB	
O=C(CCl)c1ccc2c(c1)OCCCO2	4975333	SPKGWHDVENEFOI-UHFFFAOYSA-N	226.659	2.269	50	40	BEGB	
O=C(NCCCl)Nc1ccc(F)cc1F	40413404	LTCDQZKNUWVVML-UHFFFAOYSA-N	234.633	2.325	50	40	BEGB	
CC(C)[C@H]1C(=O)OC(=O)c2ccccc21	103697371	RQPWKYMFHSJUAT-SNVBAGLBSA-N	204.225	2.123	50	40	BEGB	
O=P1(C(Cl)Cl)OCCCO1	1704306	AUURCWZUBWUWJN-UHFFFAOYSA-N	204.977	2.378	50	40	BEGB	
CCS[C@@H]1CC(C#N)=CC[C@H]1OC(C)=O	4267659	XYHALCDBIONIDS-GHMZBOCLSA-N	225.313	2.284	50	40	BEGB	biogenic
CC1(C)C2=CCC[C@H]2CC/C1=N/NC(N)=O	31716391	FEQDXVPSJQJFAJ-JMULNHFYSA-N	221.304	2.167	50	40	BEGB	
O=C(CCl)c1nnc(-c2ccccc2)o1	12505176	IKWRJPFRLRJQNI-UHFFFAOYSA-N	222.631	2.158	50	40	BEGB	
C[C@]1(CCl)N(O)C2=C(CCCC2)[N+]1=O	15979527	ZUCHTHZCCXWSCX-VIFPVBQESA-N	217.676	2.211	50	40	BEGB	
N#C[C@@H](O)c1ccc(C(F)(F)F)cc1	100546870	NYWXAQVYSYFVIG-MRVPVSSYSA-N	201.147	2.262	50	40	BEGB	in-vitro
Cc1ccccc1C(=O)N/N=C/c1ccco1	362244	JJTOUTVLJJTZOX-NTEUORMPSA-N	228.251	2.352	50	40	BEGB	
O=[N+]([O-])c1cccc([C@@H]2OC[C@H](CCl)O2)c1	1679854	BKAKWQFHVRRSNA-VHSXEESVSA-N	243.646	2.248	50	40	BEGB	
O=C=NCCc1ccc(Br)cc1	19729095	OJKQPPXUOKGDFT-UHFFFAOYSA-N	226.073	2.327	50	40	BEGB	
C/C(=N\NC(=O)C(C)C)c1ccccc1	20064382	XQPYWJROPKCCIW-JLHYYAGUSA-N	204.273	2.183	50	40	BEGB	
O=C(CCl)NCC1(c2ccccc2)CC1	32626888	MNQFKJOYCGFKKX-UHFFFAOYSA-N	223.703	2.073	50	40	BEGB	in-vitro
CN(C)NC(=O)Cc1ccc(Cl)cc1Cl	6549736	AXKMFYFLBYGDCW-UHFFFAOYSA-N	247.125	2.129	50	40	BEGB	
CC(=O)N[C@@H]1C[C@H](c2ccccc2)C=C(C#N)O1	4267430	PMIHZUUKQWXHFO-OCCSQVGLSA-N	242.278	2.060	50	40	BEGB	biogenic
CN(c1cc(N=C=O)ccn1)C(C)(C)C	536951078	OEXFTSPQTMRNCX-UHFFFAOYSA-N	205.261	2.284	50	40	BEGB	
O=C1c2ccc(Cl)nc2CC[C@@H]1Cl	169805083	NEGSSDIASSTAEU-LURJTMIESA-N	216.067	2.471	50	40	BEGB	
NC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	272141	QCCNCFRIOFHVMJ-VIZOYTHASA-N	247.229	2.088	50	40	BEGB	
CC[C@H](C)n1nccc1NC(=O)[C@H](C)Cl	3411336	QDHSSHZCWDNOQE-YUMQZZPRSA-N	229.711	2.420	50	40	BEGB	in-vitro
O=C(N/N=C/CCc1ccccc1)C1CC1	4113243	CHJJSALPSALJHP-GXDHUFHOSA-N	216.284	2.131	50	40	BEGB	
COC(=O)[C@@H](Br)Cc1ccccc1	20272468	OUCLVXLFVUBZAV-VIFPVBQESA-N	243.100	2.166	50	40	BEGB	
C=CC(=O)OC[C@H](Br)C(F)(F)F	1083811103	WMMKTZJXJAKJHI-BYPYZUCNSA-N	247.010	2.041	50	40	BEGB	
COC(=O)/C(C#N)=C/c1ccc(Cl)s1	370145	JTLZIIBPTQBJLZ-GQCTYLIASA-N	227.672	2.481	50	40	BEGB	
Nc1ccc2c(CCl)cc(=O)oc2c1	2565788	VIEYMVWPECAOCY-UHFFFAOYSA-N	209.632	2.114	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1ccc(N(C)C)cc1	2650189	OAIDFHBXMANHNY-MRVPVSSYSA-N	226.707	2.318	50	40	BEGB	in-vitro
CC(=O)N[C@@H](Cl)C(Cl)(Cl)Cl	3165060	IMEQPJDEOWUNNN-GSVOUGTGSA-N	224.902	2.058	50	40	BEGB	
O=C(CCl)N1CC[C@H]2CCCC[C@@H]2C1	4218528	DNDCGDMWWJNDNP-NXEZZACHSA-N	215.724	2.264	50	40	BEGB	in-vitro
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(N)=O	6863138	PTDVTDLDCLRKGD-YVMONPNESA-N	240.184	2.098	50	40	BEGB	
C/C(=N/NC(N)=O)[C@H]1C[C@]1(C)C(C)(C)C	13749584	CKQDLWSKFIVAEJ-ZCCXGGGGSA-N	211.309	2.103	50	40	BEGB	
CN(C)c1ccc([N+](=O)[O-])cc1C=C(C#N)C#N	409001301	OYYJLWNAHQVWCG-UHFFFAOYSA-N	242.238	2.091	50	40	BEGB	
Cl[C@@H]1COCc2nc3ccccc3n2C1	210319	HCOJFMIBZNCVOX-QMMMGPOBSA-N	222.675	2.174	50	40	BEGB	
NC(=O)N/N=C/c1ccc([C@H]2C=CCC2)s1	5517432	GLXQVVVNMIQRSK-MTDSNMTDSA-N	235.312	2.184	50	40	BEGB	
COC(=O)[C@H](CBr)c1ccccc1	40556420	LJKQRNDCJLRTCJ-SECBINFHSA-N	243.100	2.338	50	40	BEGB	
BrC[C@H]1COc2ccccc2N1	143830479	BHTIWDQGJQDYNV-ZETCQYMHSA-N	228.089	2.254	50	40	BEGB	
CN(C)CCOC(=O)c1ccccc1CCl	1720502	XRNAMYAMXBHRDF-UHFFFAOYSA-N	241.718	2.144	50	40	BEGB	
O=C(Cl)c1ccc(C(F)(F)F)nc1O	16125574	QMUIXVQMFFDHAT-UHFFFAOYSA-N	225.553	2.185	50	40	BEGB	
Br[C@@H]1CCCCCC12OCCO2	5104423	CUPUHWFXOULUCT-MRVPVSSYSA-N	235.121	2.457	50	40	BEGB	
C[C@@H](Cl)C(=O)NCC1CCCCC1	11537448	MMDLAOWBVVETGY-MRVPVSSYSA-N	203.713	2.310	50	40	BEGB	in-vitro
CCOc1ccc(C(=O)CCl)c(O)c1	96288147	OBUGAMBYISEWLC-UHFFFAOYSA-N	214.648	2.212	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1ccc(C)c(OC)c1	408727603	USBQKHXWIUIOSF-KPKJPENVSA-N	245.278	2.474	50	40	BEGB	
C[N+](CCCl)(CCCl)CCCl	1672792	KPXMKVROTQAAPB-UHFFFAOYSA-N	219.563	2.149	50	40	BEGB	
C[C@H](Cl)C(=O)N1CCc2sccc2C1	19470317	PWKBWZRQYRSKLR-ZETCQYMHSA-N	229.732	2.260	50	40	BEGB	in-vitro
Cc1ccc([C@@H]2NC[C@@H](CCl)O2)cc1	19230037	ADZPAMCMIRQXAV-GHMZBOCLSA-N	211.692	2.221	50	40	BEGB	
O=NN(CCCl)C(=O)Nc1cccc(O)c1	5080399	GPTZXZSQGBSWBA-UHFFFAOYSA-N	243.650	2.146	50	40	BEGB	
O=C(O)c1ccc2[nH]c(CCCCl)nc2c1	225294179	IROGPYOCZVJLHL-UHFFFAOYSA-N	238.674	2.433	50	40	BEGB	
O=C(CCl)Nc1cccc(OC(F)F)c1	1465836	FDATWJDNFGBXCA-UHFFFAOYSA-N	235.617	2.465	50	40	BEGB	
CC(=O)N(C)Cc1ccc(C(=O)CCl)cc1	3412799	KASXQVKGTIOCGV-UHFFFAOYSA-N	239.702	2.086	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccco1	4577520	OECOHRVWINQQES-ORORVGOPSA-N	232.283	2.431	50	40	BEGB	
N#CC1=C(N)Oc2ccccc2[C@H]1c1ccco1	7516629	ZCZFVTYYRAAHHJ-CYBMUJFWSA-N	238.246	2.498	50	40	BEGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCC1	16437861	VZGAAXAAHRVXFN-FMIVXFBMSA-N	244.269	2.355	50	40	BEGB	
CN1CCN(C[C@@H](Cl)c2ccccc2)CC1	23583883	BQFUFWBRLUQWFC-CYBMUJFWSA-N	238.762	2.214	50	40	BEGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1Cl	59333589	TZLOIJDGYXBKSK-YFHOEESVSA-N	234.686	2.335	50	40	BEGB	
O=C(CBr)c1ccc2nc[nH]c2c1	34611346	HBMCWXQHVRXQTB-UHFFFAOYSA-N	239.072	2.141	50	40	BEGB	
CCN(Cc1cccc(F)c1)C(=O)CCl	8183759	RWKMWGAZGHLOAP-UHFFFAOYSA-N	229.682	2.413	50	40	BEGB	in-vitro
Cc1nc(C(F)(F)F)ccc1N=C=O	36047172	BRXUOLWIERBAPA-UHFFFAOYSA-N	202.135	2.376	50	40	BEGB	in-vitro
C[C@@H](Cl)C(=O)N(C)C1CCCCC1	3316889	VXOMDVJGNBUFAL-MRVPVSSYSA-N	203.713	2.405	50	40	BEGB	
CCCCc1ccc(NC(=O)NN)cc1	37287340	IICGAZBUQLPAEP-UHFFFAOYSA-N	207.277	2.024	50	40	BEGB	
CC1(NC(=O)CCl)CCCCCC1	225298052	GLFYECPKMZLNNP-UHFFFAOYSA-N	203.713	2.454	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccccc1C(=O)O	1702885	GLSMUMQYSLRUHS-NTEUORMPSA-N	248.282	2.025	50	40	BEGB	
O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccc(O)cc1	104045262	GTOJNROBWPRSFC-VWFOJELTSA-N	244.294	2.298	50	40	BEGB	
O=C(O)CCCCCI	39307002	STHOLCAXALUYCX-UHFFFAOYSA-N	242.056	2.066	50	40	BEGB	
O=C=N[C@@H](Cl)C(Cl)(Cl)Cl	39199739	FHKUICFKULHZGP-UWTATZPHSA-N	208.859	2.257	50	40	BEGB	
COC(=O)/C(C#N)=C\C=C\c1ccccc1	12367603	IWGMHVHTDDLNEA-VQDMZCOGSA-N	213.236	2.323	50	40	BEGB	
COC(=O)/C(C#N)=C1/CCc2ccccc21	12495779	ODQZYGFFVQHIMJ-QXMHVHEDSA-N	213.236	2.083	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C\c1cccc(F)c1	33410315	FYTQQVIQDGNYNL-XFFZJAGNSA-N	230.242	2.035	50	40	BEGB	
CC(C)N(C(=O)CCl)[C@H](C)c1cnccn1	79435576	ALBVGQSQCOJDOK-SECBINFHSA-N	241.722	2.013	50	40	BEGB	
CCOC(=O)N/N=C\c1cc(Cl)ccc1O	104106268	LSWNJACXLUTMOQ-SDQBBNPISA-N	242.662	2.126	50	40	BEGB	
CCc1cc([N+](=O)[O-])ccc1NC(=O)CCl	226315012	WKRYNBFHYKHVNM-UHFFFAOYSA-N	242.662	2.335	50	40	BEGB	
O=C(NCCCl)N1CCCc2ccccc21	5668777	UCCPMBVHTHNZLW-UHFFFAOYSA-N	238.718	2.388	50	40	BEGB	
COc1ccc(/C=N\NC(=O)c2ccco2)cc1	30731207	ADYPKROBDYAJKS-ZROIWOOFSA-N	244.250	2.052	50	40	BEGB	
O=C(F)[C@](F)(OC(F)(F)F)C(F)(F)F	100424317	GAKSVIQMUADMSK-REOHCLBHSA-N	232.026	2.247	50	40	BEGB	
ClC[C@H]1CC(c2cccs2)=NO1	217845067	DXVKJMZYZBIVKN-ZCFIWIBFSA-N	201.678	2.480	50	40	BEGB	
N#CC(C#N)=Cc1ccc2c(c1)O[C@H](Cl)O2	5941367	HECLSTDDTVREDK-LLVKDONJSA-N	232.626	2.411	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)C(C)C)cc1	36087853	JVRWLPYIZZTASI-JYRVWZFOSA-N	204.273	2.101	50	40	BEGB	
COC(=O)[C@H](Cl)c1ccccc1OC	50977868	KCRSTPVSWXALIN-SECBINFHSA-N	214.648	2.148	50	40	BEGB	
CCOC(=O)/C(C#N)=C\Nc1ccccc1F	100205487	GUXJSHDCEAORRS-HJWRWDBZSA-N	234.230	2.208	50	40	BEGB	
O=C=Nc1ccc(Br)nc1Cl	242687486	UIKYQDBILVPOKX-UHFFFAOYSA-N	233.452	2.465	50	40	BEGB	
Cc1noc(C(F)(F)F)c1C(=O)Cl	2570633	LBYWKQKWBJMFKM-UHFFFAOYSA-N	213.542	2.381	50	40	BEGB	
NC(=O)N/N=C1/C=C[C@@]2(CC=CCC2)CC1	5431087	NHBCPECHRVEKFI-GVIGZQTCSA-N	219.288	2.087	50	40	BEGB	
Cc1nc2c(C)cccn2c1C(=O)Cl	73647996	TWWOVTPIHUEMEV-UHFFFAOYSA-N	208.648	2.330	50	40	BEGB	
Nc1cc(Cl)c(F)cc1C(=O)Cl	199747514	NGKLLJIJHMDYIV-UHFFFAOYSA-N	208.019	2.440	50	40	BEGB	
CCC1=C(Cl)[C@@H](Br)OC1=O	256052961	PJRJJAZRIZBXCK-YFKPBYRVSA-N	225.469	2.167	50	40	BEGB	
CC(C)(C)N(C#N)CCCBr	1708302	GAXBOMNAKVDOFS-UHFFFAOYSA-N	219.126	2.353	50	40	BEGB	
Cc1cc(C)cc(C(=O)N(N)C(C)(C)C)c1	114352145	ZLHGTUBOTOKPQP-UHFFFAOYSA-N	220.316	2.418	50	40	BEGB	
COc1cc(CCCl)cc(OC)c1OC	34172415	LGAAWMCNBATHDY-UHFFFAOYSA-N	230.691	2.494	50	40	BEGB	
CC(C)(NCCCl)[C@H](O)c1ccccc1	1608708	ZMUPSFOTLZFXGY-LLVKDONJSA-N	227.735	2.327	50	40	BEGB	
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Cl	3887376	WYGRWDASSJWJGQ-YIZRAAEISA-N	203.713	2.309	50	40	BEGB	
CC(C)=CC1=C(C#N)C(=O)NC(C)(C)C1	5283298	SHMQVUOCILFFIZ-UHFFFAOYSA-N	204.273	2.071	50	40	BEGB	
O[C@H](CBr)C1CCCCC1	96373585	ZYMQUWLINDTINR-MRVPVSSYSA-N	207.111	2.323	50	40	BEGB	
ClCc1nc(-c2ccc3c(c2)OCO3)no1	12375229	VVLQMOKXVARULQ-UHFFFAOYSA-N	238.630	2.204	50	40	BEGB	
O=C(Cl)c1cccc(F)c1[N+](=O)[O-]	67801574	VVFRPFIZSXRDJH-UHFFFAOYSA-N	203.556	2.113	50	40	BEGB	
O=C(Cc1ccccc1)N/N=C/c1ccsc1	369679	IJWYVFYHXSKXIE-NTEUORMPSA-N	244.319	2.441	50	40	BEGB	
Cc1cc(C)cc(OCC(=O)N=C=S)c1	70461503	NOPXNOZCXSWQLP-UHFFFAOYSA-N	221.281	2.312	50	40	BEGB	
ON=C(CBr)c1ccccc1	253618206	CPIZBNJPBHXWFN-UHFFFAOYSA-N	214.062	2.260	50	40	BEGB	
CC(C)/C=N/NC(=O)c1ccc(Cl)cc1O	16972479	JFLPIBQBUILMER-AWNIVKPZSA-N	240.690	2.417	50	40	BEGB	
COc1ccc(C(=O)O)cc1CCl	72233302	UTHHEPHRPIIYCH-UHFFFAOYSA-N	200.621	2.132	50	40	BEGB	
BrCCCCCCn1cncn1	575435693	CEBTWXLTEBLRJK-UHFFFAOYSA-N	232.125	2.233	50	40	BEGB	
CC1=C(/C=N/NC(N)=O)[C@H](C)c2ccccc21	13405166	PRCIILUEVISNEC-BQNBSLLUSA-N	229.283	2.231	50	40	BEGB	
CC(C)N(CC(F)(F)F)C(=O)CCl	37654171	JXEUPQZJHKBZML-UHFFFAOYSA-N	217.618	2.025	50	40	BEGB	in-vitro
COc1cc(CC(=O)Cl)cc(OC)c1	98213486	ICUFRGNIOMCGHA-UHFFFAOYSA-N	214.648	2.012	50	40	BEGB	
N#CCCOC[C@@H](Br)C(F)(F)F	1083810984	ISCLJWSBEBQELV-RXMQYKEDSA-N	246.026	2.242	50	40	BEGB	
CC(C)=NNC(=O)[C@H]1CC=C[C@@H]1C(Cl)Cl	5181170	BCYYMWKWWPQFPX-YUMQZZPRSA-N	249.141	2.494	50	40	BEGB	
CCOC(=O)N/N=C/c1cccc(Cl)c1	50292	KEPBMVOWLHWONN-KPKJPENVSA-N	226.663	2.420	50	40	BEGB	
Nc1ccc(C(=O)CCl)c(Cl)c1	1563986	XXZPWZDTGSHCRX-UHFFFAOYSA-N	204.056	2.344	50	40	BEGB	
Cc1ccc2nsnc2c1NC(=O)CCl	873295	PZFSOXXVENMMMU-UHFFFAOYSA-N	241.703	2.177	50	40	BEGB	
BrC[C@@H]1CN=C(c2cccs2)O1	12505629	JNPIBXWWOPXVDZ-ZCFIWIBFSA-N	246.129	2.288	50	40	BEGB	
C[C@]1(C(=O)NC2CCCC2)C[C@H]1Br	2272244	DGAMAFULZGOSQN-SCZZXKLOSA-N	246.148	2.219	50	40	BEGB	
ClC[C@H]1CO[C@@H]([C@H]2CC=CCC2)O1	4706097	UWVVFCPWRRMIFU-LPEHRKFASA-N	202.681	2.323	50	40	BEGB	
C=CCC/C(=N/NC(N)=O)c1ccccc1	5426535	LWWUTAUGDVQMRQ-KAMYIIQDSA-N	217.272	2.025	50	40	BEGB	
Cc1cccc(-c2nc(CCl)cc(=O)[nH]2)c1	14989106	UBOPIEGEUWHIBL-UHFFFAOYSA-N	234.686	2.484	50	40	BEGB	
N#C/C(=C/c1ccoc1)C(=O)NC1CCCC1	409193657	KJPUYNFMZQGFCR-XFFZJAGNSA-N	230.267	2.245	50	40	BEGB	
CCOC(=O)c1cncc(CBr)c1	95093460	DZIIEYIOMDDTHJ-UHFFFAOYSA-N	244.088	2.153	50	40	BEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(N)=O)[C@@H]2Br	4185007	OUSRFFNMRBJHKQ-DRTBCBBWSA-N	246.148	2.062	50	40	BEGB	
O=C(O)[C@H](Br)Cc1ccc(F)cc1	4753889	AVZQUBVTIHNGRC-MRVPVSSYSA-N	247.063	2.216	50	40	BEGB	
Cc1cc(C)nc(NNC(=O)CC2CCCC2)n1	13004171	GFVXQLOYRNMKNR-UHFFFAOYSA-N	248.330	2.117	50	40	BEGB	
O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C(Cl)Cl	104061331	XVNAYJMJVIAOHN-BIIVOSGPSA-N	236.142	2.343	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(F)cc1F	3241927	JLCLNTPILPKYCG-AWNIVKPZSA-N	228.198	2.045	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1cccc(C#N)c1	3316874	DRHDBTSQPVQVLB-ZETCQYMHSA-N	208.648	2.124	50	40	BEGB	in-vitro
O=C1C[C@@H](CCCc2ccccc2)C(=O)O1	104250991	FCXLUBZHFBRSMQ-LLVKDONJSA-N	218.252	2.099	50	40	BEGB	
O=C(NN=C1CCCCC1)c1cccc(O)c1	1509751	AYTIYCAKCONQGK-UHFFFAOYSA-N	232.283	2.442	50	40	BEGB	
CC[C@@H]1CCC/C1=N\NC(=O)c1ccncc1	4567422	WCYNLLWXUZZSAJ-ABQLBJTMSA-N	231.299	2.378	50	40	BEGB	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCl	37654101	BOYKEHUDPWIENY-BDAKNGLRSA-N	203.713	2.262	50	40	BEGB	in-vitro
C[C@H](Br)C(=O)N1CCCC[C@@H]1C	41671926	ODMJVSPHJAURSZ-YUMQZZPRSA-N	234.137	2.171	50	40	BEGB	
COC(=O)c1ccc(Cl)nc1CCl	95836061	TUJJDUMNJRNYGZ-UHFFFAOYSA-N	220.055	2.260	50	40	BEGB	in-vitro
O=C(CCCCl)NCCc1ccccc1	2747384	SQPOBCKXGMGMDA-UHFFFAOYSA-N	225.719	2.364	50	40	BEGB	
CC1=C(C#N)c2nc3ccccc3n2C(=O)C1	8306575	LRLNPWHKKWKMLD-UHFFFAOYSA-N	223.235	2.377	50	40	BEGB	
CC(C)(C)OC(=O)N1CCC/C(=C\C#N)C1	85471813	SNIXSVYUUCIRRS-UXBLZVDNSA-N	222.288	2.467	50	40	BEGB	
C/C(=N/NC(N)=O)[C@@H]1C[C@]1(C)C(C)(C)C	13749582	CKQDLWSKFIVAEJ-UKDXTEQMSA-N	211.309	2.103	50	40	BEGB	
CC[C@H](Br)C(=O)Nc1cc(C)on1	7988996	XJVMTBXUJAQJKS-LURJTMIESA-N	247.092	2.095	50	40	BEGB	
O=c1c2ccccc2nc2n1CC[C@@H]2Cl	519066	CGUCKVVMNRSFLG-QMMMGPOBSA-N	220.659	2.080	50	40	BEGB	biogenic
Cc1ccc(C[C@H](Br)C(=O)O)cc1	77391802	PEXAMVGPCDOBIV-VIFPVBQESA-N	243.100	2.386	50	40	BEGB	
O=S1(=O)C[C@@]23CCCC[C@@]2(CC3)[C@H]1Cl	45070019	BJJXKSWXELLVLY-LPEHRKFASA-N	234.748	2.320	50	40	BEGB	
NNC(=O)CSCc1cccc2ccccc12	83410	TXNPYVHNSAKCCH-UHFFFAOYSA-N	246.335	2.063	50	40	BEGB	
CC1(C)[C@@H](CBr)CC[C@@]1(C)C(N)=O	3845931	DVZREXQMNIVJCX-XCBNKYQSSA-N	248.164	2.309	50	40	BEGB	biogenic
COc1ccccc1O[C@@H](C)C(=O)Cl	33433333	INMRICQPQLUQGW-ZETCQYMHSA-N	214.648	2.228	50	40	BEGB	
C[n+]1c2n(c3ccccc31)C[C@@H](Cl)CS2	4868276	SOGSQIAXSOAXIA-MRVPVSSYSA-N	239.751	2.179	50	40	BEGB	
O=C1C[C@@H](C/C=C/c2ccccc2)C(=O)O1	100052234	PMGSFRAJPLOXHM-TZOMUSMUSA-N	216.236	2.180	50	40	BEGB	
Nc1ccccc1C(=O)N/N=C\c1cccs1	33303542	PDTTUJLZZIMNIE-ZSOIEALJSA-N	245.307	2.094	50	40	BEGB	
C=C(C)C(=O)Oc1ccc([N+](=O)[O-])cc1	1873960	NACSMDAZDYUKMU-UHFFFAOYSA-N	207.185	2.076	50	40	BEGB	
CC(C)OC(=O)CCCBr	21989767	MHBIPWRIXWNMJS-UHFFFAOYSA-N	209.083	2.113	50	40	BEGB	in-vitro
O=C(Br)c1cccc([N+](=O)[O-])c1	34614811	YPLWRVLXVBKSIU-UHFFFAOYSA-N	230.017	2.130	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccc(F)cc1F	50977845	ZFQUMTKBXWPQMF-QMMMGPOBSA-N	220.602	2.418	50	40	BEGB	
COC(=O)[C@H](Cl)c1ccccc1F	50978026	XDVYWTDSCCNRIR-MRVPVSSYSA-N	202.612	2.279	50	40	BEGB	in-vitro
CC1=C[C@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	73240976	IHLZMAMVGXEIGC-YBXAARCKSA-N	234.295	2.170	50	40	BEGB	
C[C@]1(C(F)(F)F)CC(=O)C=C(C=O)C1	91251965	QMAZOGXZKYYBDU-MRVPVSSYSA-N	206.163	2.043	50	40	BEGB	
C[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]1[C@@H]1OC[C@H](CCl)O1	100929359	RWLBJPNYLMZBCM-KUYXLPFXSA-N	246.734	2.170	50	40	BEGB	
CCC#CC[Si](OCC)(OCC)OCC	238314205	JSXSWMDFSWUQRA-UHFFFAOYSA-N	230.380	2.448	50	40	BEGB	
CC(=O)N/N=C(\C)c1ccc(C)cc1C	175223	HRZZXCGXPPNOLX-JLHYYAGUSA-N	204.273	2.164	50	40	BEGB	
CC1(C)[C@@H]2CC[C@]1(C(=O)Cl)C(=O)C2	101049400	SFQJZTMMKIFIGJ-LHLIQPBNSA-N	200.665	2.147	50	40	BEGB	
COc1ccc(CN(C)C(=O)CCl)cc1F	3440629	UHZAUBGPJYHEQT-UHFFFAOYSA-N	245.681	2.032	50	40	BEGB	
C[C@H](Cl)C(=O)N[C@H]1CCCC[C@@H]1C	6566686	WYGRWDASSJWJGQ-CIUDSAMLSA-N	203.713	2.309	50	40	BEGB	in-vitro
CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	301315	GITRNMVQQFFZHQ-SNVBAGLBSA-N	244.319	2.388	50	40	BEGB	
C/C(=N\NC(N)=O)[C@H]1C[C@@]2(C)CC[C@H]1C2(C)C	103212582	VFLILMXHJULMAP-HGEGAJDOSA-N	237.347	2.493	50	40	BEGB	
O=C=N[C@H](Cl)C(Cl)(Cl)Cl	39199738	FHKUICFKULHZGP-REOHCLBHSA-N	208.859	2.257	50	40	BEGB	
COc1c(C(=O)Cl)cc(C)cc1[N+](=O)[O-]	35242964	CFDNAFHJSWLRRD-UHFFFAOYSA-N	229.619	2.291	50	40	BEGB	
C[C@@H](C(=O)Cl)n1ccc(C(F)(F)F)n1	72209608	JOUYHDPSEKQUDP-BYPYZUCNSA-N	226.585	2.228	50	40	BEGB	
CCOc1cccc(/C=C(/C#N)C(N)=S)c1	408541671	CSNNFEOXMSVZNO-POHAHGRESA-N	232.308	2.278	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1ccccc1F	2682624	HLOJTCVHPNYDPX-DHZHZOJOSA-N	230.242	2.035	50	40	BEGB	
CNc1ccc(CCl)cc1[N+](=O)[O-]	34585906	VYTKQQBCZAWJMA-UHFFFAOYSA-N	200.625	2.375	50	40	BEGB	
CC(=O)N/N=C1\CC(C)(C)[C@H]2CC[C@@H]1C2	5602088	WUEKNJXUHBWDRN-MSDULNSGSA-N	208.305	2.325	50	40	BEGB	
O=C1O[C@H](CCl)CN1c1ccc(F)cc1	38478231	RMTPDKPOZFDWEA-SECBINFHSA-N	229.638	2.390	50	40	BEGB	
O=C(O)C1CCC(Br)CC1	145607524	MLEASHATKJSLCC-UHFFFAOYSA-N	207.067	2.025	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)Cc2ccccc2)o1	59577	HGWPFPDQRDKJTG-XNTDXEJSSA-N	242.278	2.281	50	40	BEGB	
O=C(O)c1cc(F)cc2[nH]c(CCl)nc12	36379605	XUXZCTVCAIXAMK-UHFFFAOYSA-N	228.610	2.139	50	40	BEGB	
O=C(CBr)c1cccnc1Cl	95761700	CDPOPLQSBPBLCR-UHFFFAOYSA-N	234.480	2.313	50	40	BEGB	
O=C(CCl)c1cc(F)cc(F)c1O	98213459	BCLQHNPXVFHBIL-UHFFFAOYSA-N	206.575	2.092	50	40	BEGB	
C[C@]12CC3CC(CC(=O)NN)(C1)C[C@](C)(C3)C2	101345799	QSGUTXXGKBGRPA-ATDZDNBSSA-N	236.359	2.363	50	40	BEGB	
Fc1cncc(CCBr)c1	60712497	LHWJPTIFVPAZDY-UHFFFAOYSA-N	204.042	2.158	50	40	BEGB	
COC(=O)/C(C#N)=C/c1ccccc1C	102659	UAHBSTHMSSDNRL-YRNVUSSQSA-N	201.225	2.075	50	40	BEGB	
NCCSSc1ccccc1C(=O)O	1579484	MDWMGDVMLUFHTD-UHFFFAOYSA-N	229.326	2.084	50	40	BEGB	
C[C@@H](NC(=O)CCl)c1ccc(F)cc1F	3445776	BOFNYQXSXAJQLI-ZCFIWIBFSA-N	233.645	2.381	50	40	BEGB	
Nc1cccc(C(=O)N/N=C/c2ccsc2)c1	3309383	OXRBVTMDOVKZDB-VGOFMYFVSA-N	245.307	2.094	50	40	BEGB	
ClC[C@H]1CO[C@@H]([C@H]2C[C@H]3C=C[C@@H]2C3)O1	5382697	IMAZNHMBJHURDA-HPENLJRUSA-N	214.692	2.179	50	40	BEGB	
C[C@@H]1CN(C)[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)C#N	229883685	YYWGOFGEYIAJJS-RJZRQDKASA-N	244.338	2.200	50	40	BEGB	
CCOc1ccc(C(=O)OCCCl)cc1	1586632	MUFKKYUFKGTFQR-UHFFFAOYSA-N	228.675	2.481	50	40	BEGB	
N#CSc1ccc(NC2=NC(=O)CS2)cc1	13914064	CVSLPEPOKHIVKT-UHFFFAOYSA-N	249.320	2.301	50	40	BEGB	
C/C(=N\NC(=O)c1ccncc1)c1cccs1	12410318	ZVBINISUCJCXIC-NTEUORMPSA-N	245.307	2.297	50	40	BEGB	
CCOC(=O)c1ncccc1CBr	39414103	OYZLMPCMWIONLS-UHFFFAOYSA-N	244.088	2.153	50	40	BEGB	
O[C@@H](CBr)C1CCCCC1	96373586	ZYMQUWLINDTINR-QMMMGPOBSA-N	207.111	2.323	50	40	BEGB	
CC1(C)CCC2(CC1)CC(=O)OC(=O)C2	100494492	ALLMSNNHIBSONY-UHFFFAOYSA-N	210.273	2.437	50	40	BEGB	
COc1ccc(F)cc1C(=O)CCl	4200406	ANFSUNDCMZJLCI-UHFFFAOYSA-N	202.612	2.256	50	40	BEGB	
C[C@H](Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1	100901299	PBIMBCFTHLZFNG-HLTSFMKQSA-N	203.713	2.118	50	40	BEGB	
O=[N+]([O-])c1cccc([C@H]2OC[C@H](CCl)O2)c1	1679853	BKAKWQFHVRRSNA-UWVGGRQHSA-N	243.646	2.248	50	40	BEGB	
O=C(N/N=C/C=C/c1ccco1)c1cccnc1	2272949	CTXDMWBPCBADRF-JTWRYOSZSA-N	241.250	2.104	50	40	BEGB	
NNC(=O)c1ccc(-c2cccc(Cl)c2)o1	40537907	XIMUYEBZQYLCAR-UHFFFAOYSA-N	236.658	2.204	50	40	BEGB	
CC(C)[C@H]1CC[C@@H](C)C/C1=N/NC(N)=O	100365433	QWQKGHCCVVXGRH-CVFBAYSTSA-N	211.309	2.103	50	40	BEGB	
CCCNC(=O)NNc1cccc(C)c1	6550047	HNSLORHOCVAJRW-UHFFFAOYSA-N	207.277	2.031	50	40	BEGB	
CCCOc1ccccc1/C=N/NC(=O)C1CC1	15933917	ICOPLFFBNZIZLW-XNTDXEJSSA-N	246.310	2.336	50	40	BEGB	
NC(=O)N/N=C1/CCCCCCC[C@H]2C[C@H]12	34209371	JTXTZAHECBFCCD-CRLTZBKTSA-N	223.320	2.391	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccc(C#N)cc1	68577278	SCRAESCCIFDCDR-VIFPVBQESA-N	209.632	2.011	50	40	BEGB	in-vitro
CCc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1	68729201	YMKSDYDDEJVXJT-UHFFFAOYSA-N	248.326	2.056	50	40	BEGB	
COc1ccc([C@@H](C)NC(=O)CCl)cc1	72329863	ZQEXSNUQXWBMBA-MRVPVSSYSA-N	227.691	2.111	50	40	BEGB	
O[C@@H](CBr)c1cccs1	36222356	QUVDAWIQZAZLSH-YFKPBYRVSA-N	207.092	2.176	50	40	BEGB	
CC(C)[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21	59607102	XZULMDZCPVPLFQ-LBPRGKRZSA-N	230.267	2.218	50	40	BEGB	
N#C[C@H](Cl)Cc1cccc([N+](=O)[O-])c1	3071199	HKAWRAJOVWSAMP-MRVPVSSYSA-N	210.620	2.268	50	40	BEGB	
Cc1ccc2c(c1)/C(=N/NC(N)=O)CC[C@@H]2C	4266693	HFFWRSWZOPLOBY-ODBMRUODSA-N	231.299	2.265	50	40	BEGB	
CSc1ccc(CNC(=O)CCl)cc1	79420469	RZOCBCSWUPAFIE-UHFFFAOYSA-N	229.732	2.264	50	40	BEGB	
CC(C)(C)OC(=O)N1CCC=C(C#N)C1	83287764	QUSCGRQFCLLVHE-UHFFFAOYSA-N	208.261	2.077	50	40	BEGB	
N#CC(C#N)=C(N)/C(C#N)=C/C=C/c1ccccc1	97965924	FFTXNOJZMKHKKD-ZAUJTXRMSA-N	246.273	2.410	50	40	BEGB	
C[C@H]1CCC[C@@H](NC(=O)N(CCCl)N=O)C1	4933734	FFCHNDRHTRPWMU-DTWKUNHWSA-N	247.726	2.497	50	40	BEGB	
ClC[C@@H](Cl)CNC[C@@H](Cl)CCl	104362017	OTQRTHJORYSENK-OLQVQODUSA-N	238.973	2.268	50	40	BEGB	
O=C(CCl)c1ccc(N2CCCC2=O)cc1	9953616	RTWLIFXUFILKGU-UHFFFAOYSA-N	237.686	2.235	50	40	BEGB	
N#C/C(=C/C=C/c1ccccc1)C(N)=S	33280143	ZFQNTRNDIHSZDF-KXBBGWRGSA-N	214.293	2.436	50	40	BEGB	
Cc1nn(C)c2c1C(C=O)=C[C@@H](C(C)(C)C)N2	225815281	PCENSMVDKKZDIC-JTQLQIEISA-N	233.315	2.151	50	40	BEGB	
CN(C)c1cccc(C(=O)CBr)c1	34206831	IXQKQBZTCOJGEJ-UHFFFAOYSA-N	242.116	2.330	50	40	BEGB	
COC(=O)N/N=C/[C@H](C)c1ccccc1	6249261	AMNCMGFCHCWFCX-KWINOFQJSA-N	206.245	2.132	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C)o2)o1	6278836	FKFJYRZGFSEBBC-NTUHNPAUSA-N	232.239	2.253	50	40	BEGB	
CCNC(=O)C(C#N)=C1CCCCCC1	233419	RBMGRPCAVXRXEU-UHFFFAOYSA-N	206.289	2.297	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccncc2)s1	12410360	PWAZOSYCMVBHKQ-RIYZIHGNSA-N	245.307	2.215	50	40	BEGB	
NCc1ccc(F)c(CBr)c1	199710941	YQDCATZOOPZHGG-UHFFFAOYSA-N	218.069	2.179	50	40	BEGB	
CC(C)(O)C(=O)NNc1ccc2ccccc2c1	509816	CPGGCCYKHWAWFV-UHFFFAOYSA-N	244.294	2.054	50	40	BEGB	
C[C@H](NC(=O)CCl)c1ccc(F)cc1	3887078	RAKOSWBWXGXGRF-ZETCQYMHSA-N	215.655	2.242	50	40	BEGB	
CC[C@H]1CCC/C1=N\NC(=O)c1cc(C)n[nH]1	13144721	CFFQWEWILLUSGJ-SUFRGBFDSA-N	234.303	2.014	50	40	BEGB	
O=C(CCCCl)NCc1cccc(F)c1	70124985	QPMJXKOSGXDNHH-UHFFFAOYSA-N	229.682	2.461	50	40	BEGB	
Cc1cc(C(=O)Cl)nn1C(C)(C)C	2577984	BUXVJLQSMVDBHC-UHFFFAOYSA-N	200.669	2.326	50	40	BEGB	
O=S1(=O)C[C@@]23CC=CC[C@]2(CC3)[C@H]1Cl	101042451	PGYMHWHBBBQCOG-GUBZILKMSA-N	232.732	2.096	50	40	BEGB	
O=c1cc(-c2ccc(F)cc2)nc(CCl)[nH]1	72207454	YKJALAOTRVVJAZ-UHFFFAOYSA-N	238.649	2.315	50	40	BEGB	
O=C1O[C@@H](Br)c2ccc(F)cc21	169797479	MVFKYPBSKNRFBG-SSDOTTSWSA-N	231.020	2.390	50	40	BEGB	
O=C1CCC(F)(F)C[C@H]1Br	238665910	JDECVWOYTPHXMO-SCSAIBSYSA-N	213.021	2.138	50	40	BEGB	
O=C(NN=C1CCCC1)c1ccccc1[N+](=O)[O-]	342635	CDEKGLPPPXLCLF-UHFFFAOYSA-N	247.254	2.255	50	40	BEGB	
CC1(C)[C@H](CBr)CC[C@]1(C)C(N)=O	3845932	DVZREXQMNIVJCX-OIBJUYFYSA-N	248.164	2.309	50	40	BEGB	biogenic
CCOC(=O)N/N=C(/C)c1ccc(OC)cc1	5181411	MDAMGLVNTWVXAK-LCYFTJDESA-N	236.271	2.165	50	40	BEGB	
O=C(CCl)N[C@@H](c1ccccc1)C1CC1	37389645	KQLGOYCOSZJVLX-LBPRGKRZSA-N	223.703	2.493	50	40	BEGB	in-vitro
O=[N+]([O-])c1ccc(NCCCl)cc1	96316046	CUBOVPYKALVPOT-UHFFFAOYSA-N	200.625	2.246	50	40	BEGB	
NCCSSc1ccccc1[N+](=O)[O-]	1579489	CCFSHFKBXSRZTJ-UHFFFAOYSA-N	230.314	2.294	50	40	BEGB	
COc1c(Cl)cc(C(C)C)cc1C(=O)NN	57339239	STHOSTMEPBFBSD-UHFFFAOYSA-N	242.706	2.076	50	40	BEGB	
COc1ccc(CC(=O)CCl)cc1OC	32015649	DVNZDXGTZMUGRM-UHFFFAOYSA-N	228.675	2.054	50	40	BEGB	
Cc1ccccc1-n1nc(C)c(C(=O)Cl)n1	45946699	CSQZJQFYNZLYDU-UHFFFAOYSA-N	235.674	2.263	50	40	BEGB	
COC[C@H](Br)CCBr	242548850	LWQLCNOTELUSDJ-RXMQYKEDSA-N	245.942	2.181	50	40	BEGB	
COC(=O)/C(C#N)=C/c1sccc1C	301497	IRHGJQJMVSTMMC-VMPITWQZSA-N	207.254	2.137	50	40	BEGB	
N#CCCN(C(=O)CCl)c1ccccc1	3289351	DYHYCJDQTUYWML-UHFFFAOYSA-N	222.675	2.172	50	40	BEGB	in-vitro
CC(=O)N(N=O)c1ccc([N+](=O)[O-])cc1Cl	4962199	JLFFSPAHPVNBNR-UHFFFAOYSA-N	243.606	2.283	50	40	BEGB	
COc1ccc2c(c1)CC(C=O)=C2Cl	72170961	KPMHPYIHQXSLLB-UHFFFAOYSA-N	208.644	2.400	50	40	BEGB	
Oc1ccc(CCI)cc1	1688764	OGMCDNXCHXQKHO-UHFFFAOYSA-N	248.063	2.370	50	40	BEGB	
O=C1OC(=O)[C@@H]2CC(c3ccccc3)=CC[C@H]12	100494386	JKYWPOLMZPJQML-NWDGAFQWSA-N	228.247	2.180	50	40	BEGB	
CC(=O)OC[C@H](C(=O)Cl)c1ccccc1	22005623	PWWISFVVAKCNEF-JTQLQIEISA-N	226.659	2.099	50	40	BEGB	in-vitro
CCN(CCCl)Cc1ccc2c(c1)OCO2	1718317	FZJUTOFEUOTHNZ-UHFFFAOYSA-N	241.718	2.476	50	40	BEGB	
CCn1nc(C)c(/C=C/C(=O)Cl)c1C	6125629	KMWOYOUXENCOSJ-AATRIKPKSA-N	212.680	2.298	50	40	BEGB	
COc1c(F)cc(F)cc1C(=O)Cl	39712909	AHUJYAFOUSHYKX-UHFFFAOYSA-N	206.575	2.352	50	40	BEGB	
ClCc1nnc2ccc(Cl)cn12	228962798	NJVDVIDPZPUZEZ-UHFFFAOYSA-N	202.044	2.122	50	40	BEGB	
O[C@H](CBr)c1cccs1	36222355	QUVDAWIQZAZLSH-RXMQYKEDSA-N	207.092	2.176	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1cnn(CCCCF)c1	96509064	VVPLTHZIJMDFOX-MRVPVSSYSA-N	247.701	2.199	50	40	BEGB	
C[C@@H](Cl)S(=O)(=O)c1ccccc1	6443160	CJHONDZWLQBAMB-ZETCQYMHSA-N	204.678	2.045	50	40	BEGB	
CC[C@]1(c2ccc(C)cc2)CC(=O)OC1=O	59093817	SOQAYLWCCUWIFB-CYBMUJFWSA-N	218.252	2.116	50	40	BEGB	in-vitro
O=C(CCl)Nc1ccccc1OC(F)F	3319608	VSWMMCQGPNBKSH-UHFFFAOYSA-N	235.617	2.465	50	40	BEGB	
COCc1cc(Cl)nc(CCl)n1	72209934	NNIUALBUDQSKMA-UHFFFAOYSA-N	207.060	2.015	50	40	BEGB	
CCC/C(=N\NC(=O)C(C)(C)O)c1ccccc1	4860329	JMVAXHISONWDFE-NTCAYCPXSA-N	248.326	2.078	50	40	BEGB	
CCOC(=O)C(CC)(CC)C(=O)Cl	1752445	BTZMVIQHCCBGII-UHFFFAOYSA-N	206.669	2.121	50	40	BEGB	
CC(/C=C\c1ccc(C)cc1)=N\NC(N)=O	5519342	WSUKPCLIPVWORY-IOBBEBRSSA-N	217.272	2.052	50	40	BEGB	
COC(=O)N/N=C\c1ccccc1Cl	31723629	CRQYZVSUKGORJG-WDZFZDKYSA-N	212.636	2.030	50	40	BEGB	
O=C(Cl)CCC(=O)OCc1ccccc1	39245572	YLMXBLNHRHWZHV-UHFFFAOYSA-N	226.659	2.275	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccccc1OC	1702892	ADEKVZWQQYOIFU-GXDHUFHOSA-N	234.299	2.336	50	40	BEGB	
Cc1ccsc1CN(C)C(=O)CCl	8390471	HOKKZQIVVHJFIS-UHFFFAOYSA-N	217.721	2.254	50	40	BEGB	
NNC(=O)CCc1ccc(-c2ccc(F)cc2)o1	216923958	WVYTVIFEGUQSMX-UHFFFAOYSA-N	248.257	2.008	50	40	BEGB	
CCOC(=O)c1cc(C)cnc1CCl	98179680	QFBRIFBWBLEBMM-UHFFFAOYSA-N	213.664	2.306	50	40	BEGB	
COc1ccc([C@H]2OC[C@H](CCl)O2)cc1	1674903	ZHOGESWPZCQJQH-QWRGUYRKSA-N	228.675	2.348	50	40	BEGB	
O=C(O)[C@@H](Br)C1CCCCC1	2042751	HQZXUBBDWRDPCS-ZETCQYMHSA-N	221.094	2.415	50	40	BEGB	
COc1cc(CCCl)cc2c1OCO2	22012908	COMIJTXREIPMRO-UHFFFAOYSA-N	214.648	2.205	50	40	BEGB	
COc1cc(C)c(C=C(C#N)C#N)cc1OC	78326113	KNVSBLVNXXTFQB-UHFFFAOYSA-N	228.251	2.443	50	40	BEGB	
C[C@H]1Cc2cc(/C=C(/C#N)C(=O)O)ccc2O1	98063833	PPGJJNCGJNNMAW-OITNDJBGSA-N	229.235	2.002	50	40	BEGB	
O=P1(O)c2ccccc2Oc2ccccc21	1561723	RPCNCQRKBZHGIG-UHFFFAOYSA-N	232.175	2.014	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1sccc1C#N	8231202	LPLPGROPGQEDBX-RXMQYKEDSA-N	214.677	2.186	50	40	BEGB	in-vitro
CN(N=O)C(=O)NCc1ccc(Cl)cc1	4887208	WCDOPVLFGFQFPN-UHFFFAOYSA-N	227.651	2.163	50	40	BEGB	
CC(=O)N/N=C/c1ccc(C(F)(F)F)cc1	5613232	ODGHNDZRGPTIQV-MKMNVTDBSA-N	230.189	2.175	50	40	BEGB	
CN1C(=O)CCc2cc(C(=O)CCl)ccc21	11730019	MQDJHRBDWKGNMX-UHFFFAOYSA-N	237.686	2.017	50	40	BEGB	
N#C/C(=C/C=C/c1ccccc1)C(=O)NC1CC1	43079579	BQOMGPOCYALQEE-XOHVCTMJSA-N	238.290	2.428	50	40	BEGB	
ClCc1cccc(CN2CCOCC2)c1	45205621	NVMAOAAINXQCCX-UHFFFAOYSA-N	225.719	2.258	50	40	BEGB	
CC1(C)Cc2cc(/C=C(/C#N)C(=O)O)ccc2O1	71857480	UZKXMXPEWCCGNM-WDZFZDKYSA-N	243.262	2.392	50	40	BEGB	
CC(C)NC(=O)[C@@H](Br)C(C)(C)C	158179	DLBAEXFSTOUKHJ-SSDOTTSWSA-N	236.153	2.321	50	40	BEGB	
C[C@@]1(c2ccccc2)CCC/C1=N/NC(N)=O	5742869	YPZADWPHMJUIFG-WZMONFQBSA-N	231.299	2.153	50	40	BEGB	
Cc1ccc(NNC=C(C#N)C#N)c(C)c1	15241582	YZBAFFGGNUKHFE-UHFFFAOYSA-N	212.256	2.151	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2cccc(O)c2)o1	573523	PJBDHIJUGMQBDF-RIYZIHGNSA-N	244.250	2.058	50	40	BEGB	
CCCc1oc(C(N)=O)cc1CCl	1443527	ARMMWMKMNGYFQR-UHFFFAOYSA-N	201.653	2.070	50	40	BEGB	
O=C1C2=C(CCCC2)C(=O)[C@H](Cl)[C@H]1Cl	1559520	FYXBVPZNMWMTTH-HTQZYQBOSA-N	233.094	2.224	50	40	BEGB	
N#C/C(=C\c1ccco1)C(=O)NC1CCCC1	14178317	YKMQJFMQEMZQIX-CSKARUKUSA-N	230.267	2.245	50	40	BEGB	
CCCOc1cccc(CNC(=O)CCl)c1	41738329	MBRQHNKSBMHHOB-UHFFFAOYSA-N	241.718	2.330	50	40	BEGB	in-vitro
CC(C)N(C(=O)CCl)C1CCCC1	68583577	HYUOJAMLEBGBOR-UHFFFAOYSA-N	203.713	2.405	50	40	BEGB	in-vitro
C[C@@H](C(=O)Cl)c1cccc([N+](=O)[O-])c1	98213495	FOZBKTAVTFTHSE-ZCFIWIBFSA-N	213.620	2.464	50	40	BEGB	
O=C(CCl)Nc1ccc(F)c(F)c1F	153143	AZIDVVHPGTUFEB-UHFFFAOYSA-N	223.581	2.281	50	40	BEGB	in-vitro
C/C(Cc1cccc2ccccc12)=N\NC(N)=O	5538858	FTCXFIYHROOREY-MHWRWJLKSA-N	241.294	2.427	50	40	BEGB	
O=C(NCCCCl)Nc1cc(Cl)ccn1	38240951	UGMADHBRHILYJS-UHFFFAOYSA-N	248.113	2.485	50	40	BEGB	
Cc1ccc(NP2(=O)NCCCN2)cc1	104392599	BPKSZWZBDJZIOJ-UHFFFAOYSA-N	225.232	2.098	50	40	BEGB	
O=C(Cl)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Cl	149745416	MNCRMCGXPHYWEZ-VZFHVOOUSA-N	221.083	2.180	50	40	BEGB	
N#CSc1ccc2nc(NCO)sc2c1	1573685	STMGDZTUNMMOFO-UHFFFAOYSA-N	237.309	2.231	50	40	BEGB	
CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1	3162412	MROJFKUEMPGAQL-NTEUORMPSA-N	218.300	2.454	50	40	BEGB	
Cc1ccccc1C(=O)N/N=C/C(C)C	6217936	LETYGPPACBQOCQ-MDWZMJQESA-N	204.273	2.367	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C\c1sccc1C	26686815	JDUPPBTUCAQRQG-YFHOEESVSA-N	232.308	2.266	50	40	BEGB	
O=C(COc1ccccc1Cl)N=C=S	39293472	QMBPEFLTMSCWHN-UHFFFAOYSA-N	227.672	2.348	50	40	BEGB	
COc1ccccc1Cn1cc(CCl)nn1	52225492	OCKSHEFPWDBKIP-UHFFFAOYSA-N	237.690	2.074	50	40	BEGB	
CC(C)(C)OC(=O)NC1CSSC1	68577616	QSZSBFIOTUHZKI-UHFFFAOYSA-N	221.347	2.275	50	40	BEGB	
Cn1nc(-c2ccccc2)cc1NC(=O)CCl	161327	WVJIBRQRQMRZHQ-UHFFFAOYSA-N	249.701	2.264	50	40	BEGB	
O=C1c2ccsc2C[C@@H]1Br	3095023	LXOWTJOHNVUDAI-YFKPBYRVSA-N	217.087	2.250	50	40	BEGB	biogenic
N#CC(C(=O)CCl)=C1Nc2ccccc2N1	3269735	ZRXPGNKNRKKOQA-UHFFFAOYSA-N	233.658	2.067	50	40	BEGB	
C/C=N\NC(=O)COc1cc(C)c(C)c(C)c1	4652638	KUXTTXVQXCDIFW-RZNTYIFUSA-N	234.299	2.113	50	40	BEGB	
O=C/C=C/c1ccc([N+](=O)[O-])cc1Cl	16953061	VDKXIAGMRMTHAF-OWOJBTEDSA-N	211.604	2.460	50	40	BEGB	
C[C@@H](Cl)C(=O)c1c[nH]c2ncccc12	20431128	GIIPPRSBUWRMAQ-ZCFIWIBFSA-N	208.648	2.373	50	40	BEGB	in-vitro
O=C(O)Cc1cccc(CBr)c1F	169796673	GZKMGPVYDLLRDS-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
O=C(CBr)OC[C@@H]1C[C@H]2C=C[C@@H]1C2	1676806	YMUCCFYCQVTQAP-YIZRAAEISA-N	245.116	2.137	50	40	BEGB	
Cc1csc(NC(=O)OCCCl)n1	2380498	AGRSZBFQTDEZNF-UHFFFAOYSA-N	220.681	2.239	50	40	BEGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccncc1	13687910	CWGLTZALEUVWSU-DHDCSXOGSA-N	243.266	2.137	50	40	BEGB	
O=C1Cc2c(CCBr)cccc2N1	22005669	KJFSOQQZVCONSQ-UHFFFAOYSA-N	240.100	2.119	50	40	BEGB	in-vitro
O=C(OCCCCCl)[C@@H]1CC[C@@H]2O[C@H]2C1	100929332	IZIFHUQKQJUOBQ-UTLUCORTSA-N	232.707	2.116	50	40	BEGB	
O=C(Cl)c1cnc(Cl)c([N+](=O)[O-])c1	34510849	CZDMAPPDNNZHMH-UHFFFAOYSA-N	220.999	2.022	50	40	BEGB	
CC(C)(CBr)[n+]1ccccc1	5380154	UELQBCKCMGKZJZ-UHFFFAOYSA-N	215.114	2.104	50	40	BEGB	
C/C(=N\NC(=O)C(C)C)c1cccc([N+](=O)[O-])c1	18194427	LUOPWNRDPIFMMM-UKTHLTGXSA-N	249.270	2.091	50	40	BEGB	
N#Cc1ccc(-c2nc(CCl)no2)cc1	26514707	MUYXYQQIUVIAFA-UHFFFAOYSA-N	219.631	2.347	50	40	BEGB	
CCOC(=O)c1c(C)ccnc1CCl	95629411	CWBKMOUAFFCXKG-UHFFFAOYSA-N	213.664	2.306	50	40	BEGB	
C[C@H](NC(=O)CCl)[C@@H]1C[C@H]2CC[C@H]1C2	100769244	LARFYGYUBWEGFA-XKNYDFJKSA-N	215.724	2.166	50	40	BEGB	
O=C1ON=C(CCl)/C1=C/c1cccs1	44804587	VGLLAGLVHKOFFO-DAXSKMNVSA-N	227.672	2.283	50	40	BEGB	
O=C(CCl)Cc1cccc(F)c1F	87224283	GSZCMZJXEFUZHX-UHFFFAOYSA-N	204.603	2.315	50	40	BEGB	
COc1ccc2[nH]cc(/C=C\C=O)c2c1	90645364	ONSRRKPJZKYJJU-IHWYPQMZSA-N	201.225	2.389	50	40	BEGB	
CC(=O)N/N=C/c1cccn1-c1ccccc1F	563900	FKBBSXWYCQVQLB-OQLLNIDSSA-N	245.257	2.086	50	40	BEGB	
BrC[C@@H]1CN=C(c2ccccc2)O1	5759391	GVPJXTUWFCKWEA-SECBINFHSA-N	240.100	2.227	50	40	BEGB	
O=C(O)[C@@]12CC[C@H](C[C@@H]1Br)C2	100182723	YOBWYLCYNUIVKF-GKROBHDKSA-N	219.078	2.025	50	40	BEGB	
C[C@@]1(C(F)(F)F)CC(=O)C=C(C=O)C1	91251964	QMAZOGXZKYYBDU-QMMMGPOBSA-N	206.163	2.043	50	40	BEGB	
CC(C)[C@@H]1CCCCN1C(=O)CBr	96510182	PUEAXWLQADKOQL-VIFPVBQESA-N	248.164	2.418	50	40	BEGB	
O=C(O)Cc1c(F)cccc1CBr	169796657	BMQICMRGTGFSPE-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
BrCc1ncc2ccccn12	225744558	TWGZYWRWPFETSX-UHFFFAOYSA-N	211.062	2.229	50	40	BEGB	
COC(=O)N/N=C/C=C/c1ccccc1	1754299	VYXNBWARTDJNOV-LRELXJSQSA-N	204.229	2.042	50	40	BEGB	
CCc1nnc(NC(=O)CCCCl)s1	2084709	BFGUYBAAUUVVKQ-UHFFFAOYSA-N	233.724	2.058	50	40	BEGB	
Br[C@@H]1CC[C@H]2CNCC[C@@H]2C1	4277205	QSYBGLAAGQLQGI-HRDYMLBCSA-N	218.138	2.160	50	40	BEGB	
ICCCc1cccnc1	138895230	WDSKLPKCQAOHBK-UHFFFAOYSA-N	247.079	2.449	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1ccc(F)cc1	4956978	OSTPLWBGNXWIBG-YFHOEESVSA-N	219.215	2.296	50	40	BEGB	
ClCc1nnc(Cc2ccccc2)o1	26470030	DVUSDXWUQFEAQB-UHFFFAOYSA-N	208.648	2.399	50	40	BEGB	in-vitro
O=C(CBr)c1cc(Cl)ccn1	34560562	DNWCOKGJSPMPGE-UHFFFAOYSA-N	234.480	2.313	50	40	BEGB	
Nc1nc(F)nc(C(Cl)Cl)c1Cl	97949893	FCTMEEASGINQIJ-UHFFFAOYSA-N	230.457	2.328	50	40	BEGB	
Cc1c(F)ccc([N+](=O)[O-])c1NC(=O)CCl	142520491	MDHASBCQZKNWJI-UHFFFAOYSA-N	246.625	2.220	50	40	BEGB	
CCOC(=O)N/N=C/c1sccc1C	267787	USJXPEHEQNKZMD-UXBLZVDNSA-N	212.274	2.137	50	40	BEGB	
BrCCOc1ccc2c(c1)OCO2	19843592	URIVYBLQEIFBAU-UHFFFAOYSA-N	245.072	2.189	50	40	BEGB	
Cc1cc(C(=O)NN)c(C)n1C1CCCCC1	223697591	PMJSSSAQMVKQFT-UHFFFAOYSA-N	235.331	2.214	50	40	BEGB	
CC/C(C)=N/NC(=O)c1ccc(OC)cc1	175385	WACRJRITHGVIII-UKTHLTGXSA-N	220.272	2.211	50	40	BEGB	
CC[C@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	278692	HZNDBXQQYMISPZ-UFBFGSQYSA-N	246.310	2.380	50	40	BEGB	
COCCN(C(=O)CCl)c1ccccc1C	2005704	SXAAVRUIADQETA-UHFFFAOYSA-N	241.718	2.213	50	40	BEGB	
CCOC(=O)c1c(C)noc1CBr	34083736	YAZBZCVAONLBJW-UHFFFAOYSA-N	248.076	2.055	50	40	BEGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	12362521	KRVPCWQFLRNSLB-MDWZMJQESA-N	247.254	2.111	50	40	BEGB	
Cc1nc(NC(=O)[C@H](C)Cl)sc1C	35186621	OZEDIFZCRIZLKA-BYPYZUCNSA-N	218.709	2.326	50	40	BEGB	in-vitro
CN(Cc1nccc2ccccc12)C(=O)CCl	79422067	QBRLXSSIJVTCAR-UHFFFAOYSA-N	248.713	2.432	50	40	BEGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(N)=O	5567428	VJDIXURAMZTJBM-QPJJXVBHSA-N	241.077	2.386	50	40	BEGB	
Nc1ccc(OCCBr)cc1	5933316	GRWGPHWXWQLOFK-UHFFFAOYSA-N	216.078	2.043	50	40	BEGB	
CC(=O)c1cc(F)cc(CCl)c1O	3269710	AZSSDSLYWMMKHX-UHFFFAOYSA-N	202.612	2.473	50	40	BEGB	in-vitro
CCCCCOC(=O)[C@H](C)SC#N	5550549	PZTYPGZCKTWAAV-QMMMGPOBSA-N	201.291	2.323	50	40	BEGB	
CC[C@H](C)C(=O)N/N=C1/CCc2ccccc21	84721254	QWUCTZVQXXHHED-ZSNVJIKNSA-N	230.311	2.499	50	40	BEGB	
O=C(O)Cc1cc(F)ccc1CBr	169796661	WVTVUNMBJZVJDL-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
O=C1C[C@H](c2ccc(CCl)cc2)CCN1	199776070	LBCRWFABLNONRO-LLVKDONJSA-N	223.703	2.419	50	40	BEGB	
O=C/C=C/c1coc2ccccc2c1=O	2299197	DCPRFNVBXFOOCK-ONEGZZNKSA-N	200.193	2.005	50	40	BEGB	
OB(O)c1cc2ccc3cccc4ccc(c1)c2c34	196077245	CUUUGHNUZXDVBQ-UHFFFAOYSA-N	246.074	2.264	50	40	BEGB	
C[C@@H](Br)c1nc(C2CC2)no1	95097278	DYALUPQSXDJWKD-SCSAIBSYSA-N	217.066	2.403	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1cccnc1	100965227	VHKDIJVGHHZMCU-QZKMCVAUSA-N	241.294	2.009	50	40	BEGB	
CC(/C=C/c1ccc(C)cc1)=N/NC(N)=O	17140396	WSUKPCLIPVWORY-OMPPTPSCSA-N	217.272	2.052	50	40	BEGB	
O[C@@H]1CC[C@H]2C[C@H]1[C@H](CBr)C2	169795844	ZGZKEENVMYNWHQ-RYPBNFRJSA-N	219.122	2.178	50	40	BEGB	
COC/C(Br)=C\SC#N	12432974	ITIXERDQCSBMKB-HWKANZROSA-N	208.080	2.083	50	40	BEGB	
C=CCOc1ccccc1NC(=O)CCl	13609036	JQEACYUJGUBTQJ-UHFFFAOYSA-N	225.675	2.429	50	40	BEGB	
N#Cc1cccc(-c2nc(CCl)no2)c1	26514709	RUTZHBJOSPBPDQ-UHFFFAOYSA-N	219.631	2.347	50	40	BEGB	
COc1ccc(C2(N=C=O)CC2)cc1F	41215559	OUJLRVMMKLTMSG-UHFFFAOYSA-N	207.204	2.159	50	40	BEGB	
[C-]#[N+][C@H](CSCc1ccccc1)C(=O)OC	95698046	KSOJWQDBWLMSJI-LLVKDONJSA-N	235.308	2.381	50	40	BEGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC=CCC2)O1	4706096	UWVVFCPWRRMIFU-KXUCPTDWSA-N	202.681	2.323	50	40	BEGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC1CC1	7163938	FLDNWBVCOOYUHN-JXMROGBWSA-N	230.242	2.011	50	40	BEGB	
O[C@@H]1[C@H](Cl)[C@H]2C[C@H]1C(F)(F)[C@]2(F)Cl	100945320	VQTGDXWDCHAADO-TVIMKVIFSA-N	235.032	2.144	50	40	BEGB	
O=C(Cl)Cc1ccc2c(c1)OCCCO2	14000354	BKGHJCAAKGYCSE-UHFFFAOYSA-N	226.659	2.156	50	40	BEGB	
O=C(CCl)Oc1ccc(F)cc1F	71195824	MXZVQIVBHFMPBW-UHFFFAOYSA-N	206.575	2.109	50	40	BEGB	
O=C(/C=C\c1ccccc1)OCCCl	17162045	GHJSRAZVKRJERL-SREVYHEPSA-N	210.660	2.482	50	40	BEGB	
O=C(Cl)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Cl	59199048	MNCRMCGXPHYWEZ-RNGGSSJXSA-N	221.083	2.180	50	40	BEGB	
Cc1c(N=C=S)c(=O)n(-c2ccccc2)n1C	3245268	GJYUDKCCGFCEBA-UHFFFAOYSA-N	245.307	2.219	50	40	BEGB	
N=C(N)c1ccc(CBr)c(F)c1	199561021	XNLBYRVDIZFZEP-UHFFFAOYSA-N	231.068	2.005	50	40	BEGB	
O=[N+]([O-])c1cccc([N+](=O)[O-])c1CCCl	34223687	QKWZQCZGYVHHNP-UHFFFAOYSA-N	230.607	2.284	50	40	BEGB	
COc1cccc(/C=N/NC(=O)c2ccco2)c1	28633	HIQXRWDKWCKIPY-NTEUORMPSA-N	244.250	2.052	50	40	BEGB	
O=C/C(Cl)=C/Nc1ccc(C(=O)O)cc1	31623510	AGFUQBOGCOWSKN-YVMONPNESA-N	225.631	2.076	50	40	BEGB	
O=C(O)c1ccc(F)c(CBr)c1	59426266	UHKFCEMXGKVBIC-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	
C=CCCC/C=C\C[C@H]1CC(=O)OC1=O	100009090	XPIQJMUYUKAKNX-GFVADAIESA-N	208.257	2.379	50	40	BEGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1cccs1	4646953	IBUZHAWKTWSTTF-NODHTMHHSA-N	232.308	2.430	50	40	BEGB	
O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)C(=O)O1	1772714663	FSVKVDAMILDKIP-ZETCQYMHSA-N	245.156	2.013	50	40	BEGB	
O=C(O)[C@@H]1CCCC[C@@H]1Br	1621879	NDMRQGSTDXPLEP-RITPCOANSA-N	207.067	2.025	50	40	BEGB	
S/C(=N/Cc1ccccc1)NCCl	6574877	XDPJTLBXKIRMFH-UHFFFAOYSA-N	214.721	2.258	50	40	BEGB	
CCn1c(CC2CCCCC2)ccc1C(=O)NN	226023656	UNLWNQLMXQHWBM-UHFFFAOYSA-N	249.358	2.234	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)s1	2759592	LZZRWMFGEJHKCN-RMKNXTFCSA-N	232.308	2.242	50	40	BEGB	
C/C(=N/NC(=O)c1cccs1)c1ccco1	4889121	NEGZLVDLFUDVRT-WQLSENKSSA-N	234.280	2.495	50	40	BEGB	
CCOC(=O)c1noc(CC)c1CCl	34925032	UBGMKJIZDYNRKT-UHFFFAOYSA-N	217.652	2.153	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	1704789	GCFFFLGSOPNFCH-UKTHLTGXSA-N	249.270	2.235	50	40	BEGB	
O=C/C=C(\Cl)c1ccc([N+](=O)[O-])cc1	2035738	KVPVZOJJVXTLKN-UITAMQMPSA-N	211.604	2.373	50	40	BEGB	
CC1=C[C@@H](O)N2C(=C1C#N)Nc1cc(C)ccc12	5547764	SYCKEDDVSTWOEF-CYBMUJFWSA-N	239.278	2.240	50	40	BEGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(O)cc1	5862212	FNMRCDIWUHLNPV-HGLKBHAMSA-N	244.294	2.464	50	40	BEGB	
C[C@H]1C=C[C@@H](c2ccccc2)[C@H]2C(=O)OC(=O)[C@H]12	104183487	DRAQQDZPAHZFFN-FTYKPCCVSA-N	242.274	2.292	50	40	BEGB	
CCCC[C@H]1CCC/C(=N\NC(N)=O)C1	17156700	RHUAYXYWSQMVHS-CVZWZAMJSA-N	211.309	2.391	50	40	BEGB	
BrC[C@H]1OCC2(CCCCC2)O1	1577506	OKXXOPVPSDEADX-QMMMGPOBSA-N	235.121	2.457	50	40	BEGB	
N#C/C(=C\c1c[nH]c2ccccc12)[N+](=O)[O-]	5604852	QOGGUBBBQQUZRU-WEVVVXLNSA-N	213.196	2.309	50	40	BEGB	
COC(=O)[C@H](Br)c1ccccc1F	82553273	JILMPHBWGHVZJX-MRVPVSSYSA-N	247.063	2.435	50	40	BEGB	in-vitro
N#CC(C#N)=C1CC[C@H]2C(=C(C#N)C#N)CC[C@@H]12	1618109	ABHNJQPWUGYABV-KBPBESRZSA-N	234.262	2.494	50	40	BEGB	
CCCCC(=O)NNC(=O)CC1CCCCC1	4553338	LFQUQUWANLMDBX-UHFFFAOYSA-N	240.347	2.294	50	40	BEGB	
COC(=O)/C(C#N)=C1\C=Cc2ccccc2N1	18021158	BUSQCSHTGYPEFQ-ZRDIBKRKSA-N	226.235	2.076	50	40	BEGB	
Cc1ccc([C@@H]2NC[C@H](CCl)O2)cc1	19230039	ADZPAMCMIRQXAV-WDEREUQCSA-N	211.692	2.221	50	40	BEGB	
Cc1ccc(/C=C(/C#N)C(=O)N(C)C)s1	59334963	LUJJNTVNTMLNCX-TWGQIWQCSA-N	220.297	2.052	50	40	BEGB	
Fc1cnc(CBr)c(F)c1	83428663	KYLLSIJJZYPFIN-UHFFFAOYSA-N	208.005	2.255	50	40	BEGB	
CC(C)OC(=O)OOC(=O)OC(C)C	2041124	BWJUFXUULUEGMA-UHFFFAOYSA-N	206.194	2.025	50	40	BEGB	
C/C(=N/NC(N)=O)C1=C[C@]2(C)CC[C@H]1C2(C)C	4267031	MUWXGLGFBULXSQ-YYVXLQPGSA-N	235.331	2.413	50	40	BEGB	
CCNc1nc(CCl)c(C(=O)OCC)s1	12394368	CBOPNTDYWBMHTK-UHFFFAOYSA-N	248.735	2.490	50	40	BEGB	
BrCCCOc1cccnc1	68983516	NNEDVBTXDIIWNX-UHFFFAOYSA-N	216.078	2.245	50	40	BEGB	
CC(=O)Nc1ccc(C(=O)CCl)cc1F	71485028	FHNGGAREQKYHFL-UHFFFAOYSA-N	229.638	2.206	50	40	BEGB	
Nc1cc(CCl)cc(C(F)(F)F)n1	95761867	CJBITFSJKNWRID-UHFFFAOYSA-N	210.586	2.421	50	40	BEGB	
CC(=O)OCCCC[C@@H](F)CBr	98174931	PFUBUHMKLAXSFV-MRVPVSSYSA-N	241.100	2.453	50	40	BEGB	
CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Cl	3411330	QDHSSHZCWDNOQE-HTQZYQBOSA-N	229.711	2.420	50	40	BEGB	in-vitro
CCCc1n[nH]c2c1[C@@H](CCC)C(C#N)=C(N)O2	6529144	LCTPTGIUIWNNDO-QMMMGPOBSA-N	246.314	2.332	50	40	BEGB	
C[Si](C)(C)OC(=O)CCCN=C=S	195777514	SERVFTLKAMKZNN-UHFFFAOYSA-N	217.366	2.248	50	40	BEGB	
C/C(=N\NC(=O)CC(C)C)c1ccccc1O	100083419	CWOUKOOQICJJML-GXDHUFHOSA-N	234.299	2.279	50	40	BEGB	
CC(C)=NNC(=O)[C@H]1CC=C[C@H]1C(Cl)Cl	5181172	BCYYMWKWWPQFPX-SFYZADRCSA-N	249.141	2.494	50	40	BEGB	
CCOc1ccc(CC(=O)NN=C(C)C)cc1	12651287	TUGUPHJLNHRVSO-UHFFFAOYSA-N	234.299	2.140	50	40	BEGB	
Cc1cc(CCCBr)on1	34742502	OXPHSDYGWOTNMN-UHFFFAOYSA-N	204.067	2.311	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccco1	100616497	OECOHRVWINQQES-ZNRITWNKSA-N	232.283	2.431	50	40	BEGB	
COC(=O)[C@H](N=C=S)c1ccccc1	50512069	SCWSLEVKFWIFPI-SECBINFHSA-N	207.254	2.004	50	40	BEGB	
Br[C@@H]1CC[C@@H]2CNCC[C@H]2C1	4277206	QSYBGLAAGQLQGI-DJLDLDEBSA-N	218.138	2.160	50	40	BEGB	
CC(C)Cc1oc(C(N)=O)cc1CCl	4720924	ACAIRARMLVZABK-UHFFFAOYSA-N	215.680	2.316	50	40	BEGB	
C[C@]12CCCC[C@@H]1C/C(=N/NC(N)=O)CC2	4984533	HBCIDRSOFPMSHX-SZPPSFLGSA-N	223.320	2.391	50	40	BEGB	
CCN1C(=O)Cc2cc(C(=O)CCl)ccc21	11566757	GCULOOUUFWFQNZ-UHFFFAOYSA-N	237.686	2.017	50	40	BEGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)NC)C1	103793614	DPHQSWLXQVDYSE-RLZNRLDCSA-N	221.304	2.204	50	40	BEGB	
CC(C)O[Si](OC(C)C)OC(C)C	196228494	ZPDGWUWPXOBCRI-UHFFFAOYSA-N	205.350	2.246	50	40	BEGB	
CCOC(=O)[C@H](Br)c1ccccn1	12958779	JNOYCFAVJXWZTO-MRVPVSSYSA-N	244.088	2.081	50	40	BEGB	
Cc1ccc(-c2nc(CCl)cc(=O)[nH]2)cc1	45956683	LMDQAJOCBYCBOO-UHFFFAOYSA-N	234.686	2.484	50	40	BEGB	
N#C/C=C(\N)c1ccc(Br)cc1	12410073	AHDJAZMPXGPTEA-UITAMQMPSA-N	223.073	2.272	50	40	BEGB	in-vitro
Fc1ccc([C@@]2(CCl)CO2)c(F)c1	38301991	SPHILNHUYNCNSY-SECBINFHSA-N	204.603	2.429	50	40	BEGB	
O=C(Cl)c1ccc(-n2cnnc2)c(Cl)c1	70461754	RKCUBTZJFJQAOX-UHFFFAOYSA-N	242.065	2.300	50	40	BEGB	
COc1c(C(=O)Cl)ccc(F)c1F	98213479	UQMSHMKTDDLRIW-UHFFFAOYSA-N	206.575	2.352	50	40	BEGB	
CC(=O)N[C@H]1C[C@@H](c2ccccc2)C=C(C#N)O1	4267433	PMIHZUUKQWXHFO-GXTWGEPZSA-N	242.278	2.060	50	40	BEGB	biogenic
ClCc1nncn1Cc1cccs1	149855113	JOAFKPPIJBAJHF-UHFFFAOYSA-N	213.693	2.127	50	40	BEGB	
Cc1cccc(/C=N/NC(=O)c2ccccn2)c1	232329	FQHZGHDGPLQFAM-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
COC(=O)N/N=C/c1c(O)ccc2ccccc12	491938	KJJYUDAIVVWNPD-RIYZIHGNSA-N	244.250	2.235	50	40	BEGB	
COc1cc(CCl)ccc1[N+](=O)[O-]	50518051	YPGTXBMNSXUGTA-UHFFFAOYSA-N	201.609	2.342	50	40	BEGB	in-vitro
COc1ccccc1-n1cnnc1CCl	149811017	FJCDDCNSFUFXAC-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
O=C/C=C\c1cc([N+](=O)[O-])ccc1Cl	12417128	YGRWDGMIJOLYCX-UPHRSURJSA-N	211.604	2.460	50	40	BEGB	
NC(=O)N/N=C1/CCCCCCC[C@@H]2C[C@H]12	103734762	JTXTZAHECBFCCD-XTOPUIKQSA-N	223.320	2.391	50	40	BEGB	
N#CSc1c(-c2ccccc2)noc1N	616580903	OEEHLRHWGHCDPY-UHFFFAOYSA-N	217.253	2.497	50	40	BEGB	
C[C@H](Cl)S(=O)(=O)c1ccccc1	1692641	CJHONDZWLQBAMB-SSDOTTSWSA-N	204.678	2.045	50	40	BEGB	
COc1cccc([C@H](C)NC(=O)CCl)c1	37501627	RAYKJMQXUASGIP-QMMMGPOBSA-N	227.691	2.111	50	40	BEGB	
Cc1ccccc1CN(C)C(=O)CCl	3333998	OPKQDGDFVIAJGX-UHFFFAOYSA-N	211.692	2.192	50	40	BEGB	in-vitro
CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Cl	3411332	QDHSSHZCWDNOQE-JGVFFNPUSA-N	229.711	2.420	50	40	BEGB	in-vitro
Cc1cccc(OCCNC(=O)[C@H](C)Cl)c1	38338671	OGFFRLJBTDEZCG-JTQLQIEISA-N	241.718	2.117	50	40	BEGB	in-vitro
C[C@H](Cl)C(=O)N1CCc2ccccc2C1	6047161	QRBPVQFQAWBRAO-VIFPVBQESA-N	223.703	2.199	50	40	BEGB	
Cc1ccc(OCC(=O)N=C=S)cc1C	70461489	TUQQYQRHHRGPOP-UHFFFAOYSA-N	221.281	2.312	50	40	BEGB	
COc1ccc(/C=C/C=C(\C#N)C(N)=S)cc1	169605840	KIRCJLMBMDDROL-TTWWKFCBSA-N	244.319	2.444	50	40	BEGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccccc1O	4187629	KBPHACZLQCYTHO-KBVGCWLLSA-N	244.294	2.464	50	40	BEGB	
COc1ccccc1[C@@H](O)CBr	12506184	FROJNSZKFGHHNR-QMMMGPOBSA-N	231.089	2.124	50	40	BEGB	
CC1=NN(c2ccc(C(=O)Cl)cc2)C(=O)C1	34457954	ARLPHJLQRBAHDC-UHFFFAOYSA-N	236.658	2.178	50	40	BEGB	
CC(C)[C@H]1CC[C@H](C)C/C1=N\NC(N)=O	13096615	QWQKGHCCVVXGRH-HDHFVGCISA-N	211.309	2.103	50	40	BEGB	
CCOc1ccc(C=C(C#N)C#N)cc1O	1888994972	WXCPUEQEBZILLB-UHFFFAOYSA-N	214.224	2.221	50	40	BEGB	
C[C@@H](Br)C(=O)Oc1ccccc1	2043871	JWAVCRPHRRVUIT-SSDOTTSWSA-N	229.073	2.375	50	40	BEGB	
Cc1ccc(/C=C(\C#N)S(C)(=O)=O)c(C)c1	10021309	CINCFBKRUKYAST-KPKJPENVSA-N	235.308	2.213	50	40	BEGB	
COc1ccc2[nH]c(=O)c(CCl)cc2c1	11980846	MLZLCZURKBOLMM-UHFFFAOYSA-N	223.659	2.276	50	40	BEGB	
Oc1cccc(NCCBr)c1	1083811760	MSLOWGGHBBABGV-UHFFFAOYSA-N	216.078	2.199	50	40	BEGB	
BrCC1OCc2ccccc2CO1	270779	OWLOTYGUMKJPKR-UHFFFAOYSA-N	243.100	2.454	50	40	BEGB	
BrC[C@H]1CN=C(c2ccccc2)O1	1608220	GVPJXTUWFCKWEA-VIFPVBQESA-N	240.100	2.227	50	40	BEGB	
COc1cc(F)c(F)cc1C(=O)Cl	39712908	NMFFABHDILSBIV-UHFFFAOYSA-N	206.575	2.352	50	40	BEGB	
C=CCCC/C=C/C[C@H]1CC(=O)OC1=O	100009092	XPIQJMUYUKAKNX-FGEFZZPRSA-N	208.257	2.379	50	40	BEGB	in-vitro
Cc1csc(/C(C#N)=C/NC[C@H]2CCCO2)n1	103105119	SIIKKUCKJISORU-CDCCAWJDSA-N	249.339	2.085	50	40	BEGB	
O=[P@@]1(CCl)COCc2ccccc21	64033	REHZHKKTBZYWAD-ZDUSSCGKSA-N	216.604	2.359	50	40	BEGB	
CCOC(=O)c1[nH]c(C)c(C=C(C#N)C#N)c1C	296203	GOGROTZUDIMFJA-UHFFFAOYSA-N	243.266	2.239	50	40	BEGB	
O=C(CCCl)OCCOc1ccccc1	1687344	RZBYMBXYWRHPJF-UHFFFAOYSA-N	228.675	2.238	50	40	BEGB	
N#Cc1ccsc1NC(=O)CCCl	2631670	MSABSTAUNYDPGV-UHFFFAOYSA-N	214.677	2.187	50	40	BEGB	
O=C(N/N=C1/C[C@H]2CC=C[C@H]12)c1ccc(O)cc1	13146571	IRZLLOQNQDTOFR-KLRHKGEASA-N	242.278	2.074	50	40	BEGB	
C[C@H](C(=O)Cl)n1ccc(C(F)(F)F)n1	72209609	JOUYHDPSEKQUDP-SCSAIBSYSA-N	226.585	2.228	50	40	BEGB	
COc1ccc2c(c1)CC(Cl)=C(C=O)C2	1857793549	LNOGARDICXZZDY-UHFFFAOYSA-N	222.671	2.486	50	40	BEGB	
Cc1cc(C)c(OCC(=O)Cl)c([N+](=O)[O-])c1	6188644	JWQGAQNBGXUROA-UHFFFAOYSA-N	243.646	2.356	50	40	BEGB	
CN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	37593800	RNBDCZHGBRYMFH-UHFFFAOYSA-N	246.307	2.293	50	40	BEGB	
N=C(NN)SCc1ccc(N=C=S)cc1	6512347	FIPURTIAVAIXAR-UHFFFAOYSA-N	238.341	2.052	50	40	BEGB	
COc1ccc(/N=N/N(C)C(C)=O)cc1	18154165	ALJQINSLSYSISP-VAWYXSNFSA-N	207.233	2.172	50	40	BEGB	
CCOC(=O)NNc1c(C)cccc1C	34164862	WUOUBRANEUCARI-UHFFFAOYSA-N	208.261	2.376	50	40	BEGB	
Cc1[nH]c2ccccc2c1C[C@@H]1CC(=O)OC1=O	100494161	WOWUGBAHYGWNEQ-SECBINFHSA-N	243.262	2.109	50	40	BEGB	
C[C@H]1[C@@H](c2ccccc2)N(C)C[C@@H](C)[C@]1(O)C#N	102674042	YYWGOFGEYIAJJS-PAPYEOQZSA-N	244.338	2.200	50	40	BEGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccco1	6221969	PRWMNBPARFJWGG-VQHVLOKHSA-N	228.207	2.418	50	40	BEGB	
C[C@@H]1CC[C@@H]2CCCC[C@@H]2/C1=N\NC(N)=O	104255181	WWVLXISZVLCBQT-BACQGATJSA-N	223.320	2.247	50	40	BEGB	
COc1ccccc1[C@@H]1OC[C@H](CCl)O1	1677483	FGZZEMGDNLVORZ-GZMMTYOYSA-N	228.675	2.348	50	40	BEGB	
C/C(=N/NC(=O)[C@H]1CCCO1)c1ccc(C)cc1	17024181	ZNIKCUNXKVXLEH-LKKYZFDUSA-N	246.310	2.014	50	40	BEGB	
BrC[C@@H]1COc2ccccc2N1	143830264	BHTIWDQGJQDYNV-SSDOTTSWSA-N	228.089	2.254	50	40	BEGB	
ClC[C@@H]1CC(c2cccs2)=NO1	217845021	DXVKJMZYZBIVKN-LURJTMIESA-N	201.678	2.480	50	40	BEGB	
O=C(F)[C@H](Br)CC(F)(F)F	1857787626	LRYWAFMHQKENPH-UWTATZPHSA-N	222.963	2.198	50	40	BEGB	
O=[N+]([O-])c1ccc(C2=NO[C@@H](CCl)C2)cc1	217846582	VONDILGSEQKYDY-SECBINFHSA-N	240.646	2.327	50	40	BEGB	
O=C(CCl)NCCc1cccc2cccnc12	78210672	DSXFNHCJSKHINV-UHFFFAOYSA-N	248.713	2.132	50	40	BEGB	
O=C(N/N=C1\C[C@H]2C=CC[C@@H]12)c1cccc(O)c1	8408612	QVYCFPYBEOXJCY-CQFCLUMWSA-N	242.278	2.074	50	40	BEGB	
Cc1c(C)c(O)c2c(c1C)[C@H](C)C(=O)OC2=O	85553787	PXPDDNZJJKVTBG-QMMMGPOBSA-N	234.251	2.118	50	40	BEGB	
CC(C)c1noc(CBr)n1	88107866	FTWUWCBRRPVREH-UHFFFAOYSA-N	205.055	2.088	50	40	BEGB	
CC(C)c1ccc(/C=N/NC(=O)CC#N)cc1	143691	JEDKGDLCYGYAGY-OQLLNIDSSA-N	229.283	2.174	50	40	BEGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)NN	2156476	PYLNEFCRGMTUJK-IVZWLZJFSA-N	214.309	2.047	50	40	BEGB	
CCOC(=O)/C(C#N)=C1/CCC=C(C)C1	16929427	QAIZEEDYXHQEKV-KHPPLWFESA-N	205.257	2.500	50	40	BEGB	
COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	34412200	QFRHEQUPAQAIAD-ACLDMZEESA-N	233.105	2.113	50	40	BEGB	
O=S1[C@H]2CC[C@H](Cl)[C@H]1CC[C@H]2Cl	104213243	SKGSRHXKRVAPBW-RHWYGTMMSA-N	227.156	2.275	50	40	BEGB	
CC1(C)[C@]2(C(N)=O)CC[C@@]1(C)[C@H]2Br	4185006	OUSRFFNMRBJHKQ-WHFVKQHSSA-N	246.148	2.062	50	40	BEGB	
N#CC(C(=O)c1ccccc1)=C(S)S	101330658	WPXMVOFSIWYSLZ-UHFFFAOYSA-N	221.306	2.464	50	40	BEGB	
CC1(C)OB([C@@H](N)CCCCCl)OC1(C)C	1307209430	OKKITCAAOMJTHT-VIFPVBQESA-N	247.575	2.354	50	40	BEGB	
CC(=O)c1ccc(/C(C#N)=C/N(C)C)s1	1391812	FPBUUJWMKVVZJW-VQHVLOKHSA-N	220.297	2.377	50	40	BEGB	
ClC[C@@H](Cl)CNC[C@H](Cl)CCl	1675261	OTQRTHJORYSENK-PHDIDXHHSA-N	238.973	2.268	50	40	BEGB	
CC(C)N(Cc1cncs1)C(=O)CCl	79422032	VXNOSCIIDSZYKC-UHFFFAOYSA-N	232.736	2.119	50	40	BEGB	
CCOC(=O)/C(C#N)=C(/S)Nc1ccccc1	100114884	AOZYOXJUXRMICF-ZHACJKMWSA-N	248.307	2.327	50	40	BEGB	
Cc1ccc2c(c1)NC(=O)[C@H](CCCl)O2	4037200	FYHPPXITQVEGMI-JTQLQIEISA-N	225.675	2.323	50	40	BEGB	
COc1cc(C=O)ccc1OCCCl	9261298	DCBNVCCDXRZXOX-UHFFFAOYSA-N	214.648	2.125	50	40	BEGB	
O=C(Cl)Cn1nc(C2CC2)cc1C(F)F	12357854	XRYDVUHCNQMFTB-UHFFFAOYSA-N	234.633	2.464	50	40	BEGB	
O=C(Cc1cccs1)N/N=C\c1ccccc1	32576899	KHJWSCGGMLAHBS-UVTDQMKNSA-N	244.319	2.441	50	40	BEGB	
O=C1OCc2ccc(CBr)cc21	34496456	VHRAMLJMWLDMGS-UHFFFAOYSA-N	227.057	2.252	50	40	BEGB	
N#C/C(=C\c1c[nH]c2cccc(Cl)c12)C(N)=O	44892273	PYUWHPFOGLPAHB-QPJJXVBHSA-N	245.669	2.214	50	40	BEGB	
O=C(Cl)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1	100350690	OHIVUAREQFICPK-UHFFFAOYSA-N	248.021	2.353	50	40	BEGB	
CC(=O)c1ccc(C(=O)CCl)s1	224638	MFRGLFZRUTXPTQ-UHFFFAOYSA-N	202.662	2.372	50	40	BEGB	
COc1ccc(SC#N)c([N+](=O)[O-])c1	1505870	NZBABHFYCIWRBJ-UHFFFAOYSA-N	210.214	2.177	50	40	BEGB	
CC(C)c1nnc(NC(=O)[C@H](C)Cl)s1	4079126	FJQSBRGVBCYWQO-YFKPBYRVSA-N	233.724	2.227	50	40	BEGB	
C[C@@H](NC(=O)CCl)[C@@H]1C[C@H]2CC[C@H]1C2	100769240	LARFYGYUBWEGFA-KATARQTJSA-N	215.724	2.166	50	40	BEGB	
O=S1(=O)CC[C@H](c2ccc(CCl)cc2)C1	256046271	DWRXPXASMQIRMK-NSHDSACASA-N	244.743	2.328	50	40	BEGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)OCO2	31893268	DOYTXVAKUSDRMY-LURJTMIESA-N	212.632	2.225	50	40	BEGB	
Cc1ccc(SCCNC(=O)CCl)cc1	4206570	MBMIIHXJVPBDLX-UHFFFAOYSA-N	243.759	2.442	50	40	BEGB	
O=c1[nH]c2ccccc2c2oc(CCl)nc12	18106028	UKORJITXSYAZRG-UHFFFAOYSA-N	234.642	2.408	50	40	BEGB	
CC(C)=C1[C@@H]2CC/C(=N\NC(N)=O)[C@@H]1CC2	102318425	GGDFQMOYBOBMDF-VYPZZRPFSA-N	221.304	2.167	50	40	BEGB	
Br[C@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12	103911342	PAQFAVIIPCLMHD-FNADHFCLSA-N	229.117	2.193	50	40	BEGB	
C[Si](C)(C)[Si](C)(O)[Si](C)(C)C	195820129	PPENNDDXLGCDQN-UHFFFAOYSA-N	206.510	2.387	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1cccc(F)c1	8653228	KRAONHPSLKXRMO-POHAHGRESA-N	219.215	2.296	50	40	BEGB	
Cc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	9689716	AVZPFTNYVSVRJI-UHFFFAOYSA-N	248.326	2.192	50	40	BEGB	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Cl)C1	222955735	MBBFRQPJOXZRGY-SSDOTTSWSA-N	233.695	2.009	50	40	BEGB	
Cn1nc(C(=O)Cl)cc1-c1ccco1	12370331	RAYIOTXFHIKMIE-UHFFFAOYSA-N	210.620	2.059	50	40	BEGB	in-vitro
CCOc1ccc(/C=C(\C#N)C(=O)O)cc1OC	151405	AQYIMFBTFQAVIR-UXBLZVDNSA-N	247.250	2.085	50	40	BEGB	
O=C(OCCCCCl)[C@@H]1CC[C@H]2O[C@H]2C1	5376709	IZIFHUQKQJUOBQ-BBBLOLIVSA-N	232.707	2.116	50	40	BEGB	
O=C(N/N=C\c1cccnc1)Nc1ccccc1	33297680	PPWULDSYAUZJON-GDNBJRDFSA-N	240.266	2.237	50	40	BEGB	
CC(=O)N/N=C1/CCCc2c(C)cc(C)cc21	38203757	ZORYHXZBPNKXBI-PEZBUJJGSA-N	230.311	2.480	50	40	BEGB	
COC[C@@H](Br)CCBr	242548851	LWQLCNOTELUSDJ-YFKPBYRVSA-N	245.942	2.181	50	40	BEGB	
COc1ccc([C@H]2OC[C@@H](CCl)O2)cc1	1674901	ZHOGESWPZCQJQH-MNOVXSKESA-N	228.675	2.348	50	40	BEGB	
O=C(N/N=C/c1ccsc1)c1ccc(O)cc1	3526255	UAUABLZVYGUWAJ-NTUHNPAUSA-N	246.291	2.218	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1ccncc1Cl	4541895	BZDRDUFWQQPYOC-WEVVVXLNSA-N	236.658	2.205	50	40	BEGB	
C[C@H](Cl)C(=O)N(C)c1ccccc1C#N	87502689	KEVDKNPKZVZSDH-QMMMGPOBSA-N	222.675	2.148	50	40	BEGB	
O=C(CCl)N1CCC[C@H]2CCCC[C@@H]21	7978623	RDTNIAJMHHVOCO-ZJUUUORDSA-N	215.724	2.406	50	40	BEGB	in-vitro
O=C(O)Cc1cc(CBr)ccc1F	169796660	OTHKDVYWTZUUDE-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
Cc1ccc(NC(=O)NC(=O)CCl)cc1C	4218684	YWEMANOFVYDQII-UHFFFAOYSA-N	240.690	2.190	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)c2cccnc2)s1	4702566	LQRZUMOPGUMWIQ-ZSOIEALJSA-N	245.307	2.215	50	40	BEGB	
O=C1C[C@@H](C(=O)CCl)C2(CCCCC2)O1	5290004	PKSKXRXSHMEHSH-QMMMGPOBSA-N	230.691	2.060	50	40	BEGB	
O=C1C2=C(CCCC2)C(=O)[C@@H](Cl)[C@@H]1Cl	104190905	FYXBVPZNMWMTTH-YUMQZZPRSA-N	233.094	2.224	50	40	BEGB	
CC(=O)Nc1c(F)cccc1C(=O)Cl	199746584	UYLTYZYPYOSURJ-UHFFFAOYSA-N	215.611	2.163	50	40	BEGB	
O=C1N[C@@H](c2cccc(C(F)(F)F)c2)C(=O)O1	1772714805	XDWYVEKQPLIIDP-ZETCQYMHSA-N	245.156	2.013	50	40	BEGB	
Cc1ccc2c(c1)/C(=N/NC(N)=O)CC[C@H]2C	4266695	HFFWRSWZOPLOBY-JWXOYPTNSA-N	231.299	2.265	50	40	BEGB	
C=CCCC/C=C/C[C@@H]1CC(=O)OC1=O	100009087	XPIQJMUYUKAKNX-VQCYPWCPSA-N	208.257	2.379	50	40	BEGB	in-vitro
O=[N+]([O-])c1cccc(C2=NO[C@H](CCl)C2)c1	217846484	ATSXUFASXZIXTK-VIFPVBQESA-N	240.646	2.327	50	40	BEGB	
N#Cc1ccccc1NC(=O)C(Cl)Cl	73786	QQVGMRWVKIFMLM-UHFFFAOYSA-N	229.066	2.300	50	40	BEGB	
CN(C)c1cccc(OC(=O)NCCCl)c1	1616607	YKABOSUKZDYOHM-UHFFFAOYSA-N	242.706	2.080	50	40	BEGB	
CCn1cc(/C=C(\C#N)C(=O)C(C)(C)C)cn1	16971353	UBESXNJLSSWHCM-IZZDOVSWSA-N	231.299	2.425	50	40	BEGB	
C[C@H](Br)C(=O)N1CCC[C@@H](C)C1	41738304	AOEQZEUUTTZQRC-SFYZADRCSA-N	234.137	2.028	50	40	BEGB	
O=C(CBr)Cc1cccc(F)c1	84199279	AWHDBHGJHZETJF-UHFFFAOYSA-N	231.064	2.332	50	40	BEGB	
C[C@@H]1C=C[C@@H](c2ccccc2)[C@H]2C(=O)OC(=O)[C@H]12	104183484	DRAQQDZPAHZFFN-GWNIPJSYSA-N	242.274	2.292	50	40	BEGB	
COC[N+](C)(C)c1ccc(/C=C/C=O)cc1	1563658	SYBTXLAGQKPOAI-SNAWJCMRSA-N	220.292	2.070	50	40	BEGB	
CCCCCCOCCOC[C@@H](O)CCl	16638209	FDRFIFCBNXDSBI-NSHDSACASA-N	238.755	2.200	50	40	BEGB	
O[C@H](CBr)c1ccccc1F	34452657	ATULJZJQJFRUFB-MRVPVSSYSA-N	219.053	2.254	50	40	BEGB	
CC[C@@H](Br)C(=O)NC1CC(C)C1	85395895	VOBPVGSDYPEMMP-KAVNDROISA-N	234.137	2.075	50	40	BEGB	
C/C(=N\NC(=O)CN1CCCCC1)C(C)(C)C	408786737	VTDGUJBBAIYQQE-SDNWHVSQSA-N	239.363	2.011	50	40	BEGB	
CCSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	409129400	GAAZPAAMMRYZLH-MRVPVSSYSA-N	248.307	2.371	50	40	BEGB	
Cn1cccc1C(=O)N/N=C/[C@@H]1CC=CCC1	61460229	SJTOAPGBAUMGCX-ZTMOJVSCSA-N	231.299	2.097	50	40	BEGB	
Cc1ccccc1CCNC(=O)[C@H](C)Cl	39946617	ODUISDFZSWNEHK-JTQLQIEISA-N	225.719	2.281	50	40	BEGB	in-vitro
N#C[C@H](O)c1cccc(Br)c1	100134736	UQYDMAISSWIIRF-QMMMGPOBSA-N	212.046	2.006	50	40	BEGB	
O=C(O)[C@]12CC[C@H](C[C@@H]1Br)C2	5048725	YOBWYLCYNUIVKF-CHKWXVPMSA-N	219.078	2.025	50	40	BEGB	
N#C/C(=C/C=C\c1ccccc1)C(N)=S	6111017	ZFQNTRNDIHSZDF-XGBXBTFKSA-N	214.293	2.436	50	40	BEGB	
O=C1c2ccccc2OC[C@@H]1Br	26478663	FTRRZJIVFMSIJJ-ZETCQYMHSA-N	227.057	2.025	50	40	BEGB	
CC(C)(C)OC(=O)N/N=C1/CCn2cccc21	84199931	ARFMADDCDMHJTA-LCYFTJDESA-N	235.287	2.121	50	40	BEGB	
O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)C(Cl)Cl	104061324	XVNAYJMJVIAOHN-BWZBUEFSSA-N	236.142	2.343	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1ccc(N(C)C)cc1	2650188	OAIDFHBXMANHNY-QMMMGPOBSA-N	226.707	2.318	50	40	BEGB	in-vitro
NC(=O)N/N=C1\CCC[C@@H]2CCCC[C@H]12	4722505	MBXWMIKCSWJUHH-QZIRTXDSSA-N	209.293	2.001	50	40	BEGB	
BrC[C@@H]1OCC2(CCCCC2)O1	2046351	OKXXOPVPSDEADX-MRVPVSSYSA-N	235.121	2.457	50	40	BEGB	
CCCCCC(=O)OCCOCCCl	5417858	APEMSJKHSXTQMJ-UHFFFAOYSA-N	222.712	2.365	50	40	BEGB	
O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1ccc(O)cc1	5672482	GTOJNROBWPRSFC-RMFSPPGISA-N	244.294	2.298	50	40	BEGB	
O=C(CCl)N[C@H]1CCc2ccccc21	34307540	PXOJBWMHNNIZLL-JTQLQIEISA-N	209.676	2.029	50	40	BEGB	in-vitro
N#CC(C#N)=C(N)C(C#N)=C1CCCCC1	100253151	GLMHSZPGJHKXNK-UHFFFAOYSA-N	212.256	2.031	50	40	BEGB	
Cc1ccc(N(CCC#N)C(=O)CCl)cc1	3278515	STVBTIWAWNNCKW-UHFFFAOYSA-N	236.702	2.481	50	40	BEGB	
O=S1[C@@H]2CC[C@@H](Cl)[C@H]1CC[C@@H]2Cl	5664167	SKGSRHXKRVAPBW-LKOYMUOLSA-N	227.156	2.275	50	40	BEGB	
CCOc1ccc(Cl)cc1/C=N/NC(C)=O	58822296	BPKLRGCMWGVELA-NTUHNPAUSA-N	240.690	2.209	50	40	BEGB	
Clc1ccc(N2CCC(Cl)CC2)nn1	72202877	DCGSAPYTOJEKTC-UHFFFAOYSA-N	232.114	2.338	50	40	BEGB	
N#CC(C#N)=C(Nc1ccccn1)C(F)(F)F	784530	SYQACZZBFHCMLB-UHFFFAOYSA-N	238.172	2.357	50	40	BEGB	
CCOC(=O)[C@H](Cl)[C@](C)(O)c1ccccc1	1702316	PKNSTKFOOAFKHC-CMPLNLGQSA-N	242.702	2.065	50	40	BEGB	
C/C(=N\NC(N)=O)c1cc(C(C)(C)C)ccc1O	5370173	SZYNFZNIWAXQLP-OVCLIPMQSA-N	249.314	2.082	50	40	BEGB	
C/C(=N/NC(N)=O)c1ccc(Cl)cc1Cl	5516805	PGPFFHJGOBOZQA-ACAGNQJTSA-N	246.097	2.386	50	40	BEGB	
C[C@H](Br)[C@H](Br)C#N	6021096	TWLGLYVADVLALB-IUYQGCFVSA-N	226.899	2.057	50	40	BEGB	in-vitro
C[C@H](Cl)C(=O)Nc1cnn(CCCCF)c1	96509063	VVPLTHZIJMDFOX-QMMMGPOBSA-N	247.701	2.199	50	40	BEGB	
COc1ccc(CCl)cc1[N+](=O)[O-]	1843200	DKRYRFRNGLTDMB-UHFFFAOYSA-N	201.609	2.342	50	40	BEGB	in-vitro
CC(C)=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1	6203075	KEWHKRFZCCZGKA-UHFFFAOYSA-N	235.243	2.029	50	40	BEGB	
COc1ccccc1-n1nncc1CCl	81147922	GRJSYKGRPMWAKH-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
C/C(=N\NC(=O)c1ccccn1)c1cccs1	12417141	UOTPMOFWQSVDHP-NTEUORMPSA-N	245.307	2.297	50	40	BEGB	
C=C(Cl)CI	82880529	BSQHVKZJTOVHBK-UHFFFAOYSA-N	202.422	2.174	50	40	BEGB	
CC(C)C/C=N/NC(=O)c1ccc(O)cc1	3899055	JFQYZFSOEJNHBZ-MDWZMJQESA-N	220.272	2.154	50	40	BEGB	
COC(=O)c1cccc(CCC(=O)CCl)c1	66325637	HDSBCHDFLYUMFP-UHFFFAOYSA-N	240.686	2.214	50	40	BEGB	
COc1ccccc1OCCN=C=S	8729612	OXAYYHOCBFQTIK-UHFFFAOYSA-N	209.270	2.177	50	40	BEGB	
CN(Cc1ccccc1F)C(=O)CCl	8183794	JNDWIAGBHXCBKP-UHFFFAOYSA-N	215.655	2.023	50	40	BEGB	in-vitro
CN(C)C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	5049281	PPKHWGBZVYUOKV-OYNCUSHFSA-N	246.148	2.028	50	40	BEGB	
O=C(COc1ccccc1)NNc1ccccc1	246574	JRJRZCFIDWTLGU-UHFFFAOYSA-N	242.278	2.209	50	40	BEGB	
CCOC(=O)N/N=C(\C)c1ccc(C)o1	6046863	LOUUMWJCIMLLJS-DHZHZOJOSA-N	210.233	2.058	50	40	BEGB	
O=C(Cl)c1ccnc(Br)c1	21984939	GHNYBTVJFNWDCE-UHFFFAOYSA-N	220.453	2.223	50	40	BEGB	
CC(C)c1nnc(CBr)o1	96511370	KCWPLYQFRBYYJT-UHFFFAOYSA-N	205.055	2.088	50	40	BEGB	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Cl)C1	222955672	MBBFRQPJOXZRGY-ZETCQYMHSA-N	233.695	2.009	50	40	BEGB	
C/C(=N\NC(=O)c1ccccc1)C1CC1	4548996	XGEIMICQFAWRLW-UKTHLTGXSA-N	202.257	2.202	50	40	BEGB	
O=C(N/N=C\c1ccco1)c1ccc(F)cc1	4784522	LHXRWWWWTVMWDS-ZSOIEALJSA-N	232.214	2.183	50	40	BEGB	
O=C(Cl)[C@H]1[C@@H]2CC[C@H](C2)[C@H]1C(=O)Cl	100350660	MNCRMCGXPHYWEZ-GBNDHIKLSA-N	221.083	2.180	50	40	BEGB	
N#CS[C@H](CN1CCCC1)C(F)(F)F	55112359	QSIFSXKWTVBOAZ-SSDOTTSWSA-N	224.251	2.227	50	40	BEGB	
C/C(=N\NC(=O)c1ccc(N)cc1)c1ccco1	12362492	GIMHUBACVIXWKB-OQLLNIDSSA-N	243.266	2.016	50	40	BEGB	
Cc1cccc(C(=O)N/N=C/c2ccccn2)c1	482812	FZVQYNNQHDIWNO-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
CC[C@@H](Cl)C(=O)NCc1ccccc1	8183814	GSGWHVLXMSAXAQ-SNVBAGLBSA-N	211.692	2.320	50	40	BEGB	in-vitro
N#CS[C@@H](C#N)[C@@H](C#N)c1ccccc1	11690618	FFDGJFFHPKCGCN-QWRGUYRKSA-N	213.265	2.400	50	40	BEGB	
CN(C)c1ccc2c3c(cccc13)C(=O)OC2=O	98043317	SYHLMXPDERMJFU-UHFFFAOYSA-N	241.246	2.216	50	40	BEGB	
C[C@@H]1C[C@@H]2O[C@]2(C)C[C@@H]1[C@@H]1OC[C@H](CCl)O1	254611155	RWLBJPNYLMZBCM-AYAQEJOPSA-N	246.734	2.170	50	40	BEGB	
O=C(Oc1ccccc1)C(Cl)Cl	1684096	FALZSEYHTLDSIT-UHFFFAOYSA-N	205.040	2.396	50	40	BEGB	
C/C(=N\NC(=O)c1cccnc1)c1ccccc1	4600611	BVBXCKKSUQBFBZ-LFIBNONCSA-N	239.278	2.236	50	40	BEGB	
ClCCNCCOCc1ccccc1	30834198	CWGLQAKPWDXEPP-UHFFFAOYSA-N	213.708	2.032	50	40	BEGB	
CCCN(CC)c1cncc(N=C=O)c1	536950198	GINPIJJLUKTWHM-UHFFFAOYSA-N	205.261	2.285	50	40	BEGB	
O=C(CBr)Cc1cc(F)cc(F)c1	199549794	AWIZNVLEUCTUFW-UHFFFAOYSA-N	249.054	2.471	50	40	BEGB	
ClCc1ncc(C2CCOCC2)o1	83553961	VYPPYKFCOLBVSY-UHFFFAOYSA-N	201.653	2.307	50	40	BEGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)C#N	100998859	GFZSGLOIRMEDAD-XFXZXTDPSA-N	225.251	2.249	50	40	BEGB	
COC(=O)c1cc(CCl)ccc1OC	1679041	VYBQOEVRXJJHTD-UHFFFAOYSA-N	214.648	2.221	50	40	BEGB	
Br[C@@H]1CCNc2ccncc21	41058399	FRFWITTUEVJUTJ-SSDOTTSWSA-N	213.078	2.333	50	40	BEGB	
Cn1c(CCCl)nc2cc(C(=O)O)ccc21	225296798	WXANZFMMDAQICA-UHFFFAOYSA-N	238.674	2.053	50	40	BEGB	
O=C(CF)N[C@@H](Cl)C(Cl)(Cl)Cl	5516683	DZKPNOCALQUSLE-GSVOUGTGSA-N	242.892	2.007	50	40	BEGB	
C/C(=N\NC(=O)CC#N)c1ccc(Cl)cc1	6962215	MOOJYVXBULZFJY-RIYZIHGNSA-N	235.674	2.094	50	40	BEGB	
Cc1ccc(NC(=O)[C@H](C)Cl)cc1[N+](=O)[O-]	19428838	DDXSRIAXJBYUOR-ZETCQYMHSA-N	242.662	2.469	50	40	BEGB	
COc1ccc(Cl)cc1CNC(=O)CCl	41676936	HVTYJZJMRILKRV-UHFFFAOYSA-N	248.109	2.204	50	40	BEGB	in-vitro
N#CSc1c(-c2ccccc2)n[nH]c1N	75251741	MGEMWKRPHOQACP-UHFFFAOYSA-N	216.269	2.232	50	40	BEGB	
Cc1nn(CCl)c(C)c1Br	4291278	XNBKTIXHTNDFSI-UHFFFAOYSA-N	223.501	2.459	50	40	BEGB	
CN(C)C(/C=C/Nc1ccccc1)=C(C#N)C#N	100924366	JFFPSVGAUFADRX-CMDGGOBGSA-N	238.294	2.475	50	40	BEGB	
COC(=O)N/N=C/c1c(C)[nH]c2ccc(C)cc12	179161	IGZIJODCVXFNAD-VGOFMYFVSA-N	245.282	2.475	50	40	BEGB	
O=C(CCl)c1ccc2c(c1)CCCO2	6681894	ORIACXUZFZHMIG-UHFFFAOYSA-N	210.660	2.433	50	40	BEGB	in-vitro
CN1/C(=C(/C#N)C=O)C(C)(C)c2ccccc21	12524068	FSNRHUFUPQFMBI-RAXLEYEMSA-N	226.279	2.391	50	40	BEGB	
Cc1ccc(NC(=O)NC(=O)[C@H](C)Cl)cc1	36904952	ZELGUTOPLDGYAE-QMMMGPOBSA-N	240.690	2.270	50	40	BEGB	
O=C1Nc2ccccc2[C@@H]1Br	100157145	KQNMNQHOKUHSJP-ZETCQYMHSA-N	212.046	2.075	50	40	BEGB	
Oc1ccccc1-c1nnc(CCl)o1	55359	JIZCIDTXTBDEEH-UHFFFAOYSA-N	210.620	2.181	50	40	BEGB	
CC(=O)N[C@H](C)c1ccc(C(=O)CCl)cc1	4218879	LMIVOOIKJMVTTG-MRVPVSSYSA-N	239.702	2.305	50	40	BEGB	
ClC(Cl)I	95669534	HNLZCOJXSLDGKD-UHFFFAOYSA-N	210.829	2.183	50	40	BEGB	in-vitro
CC1=C(/C=N/NC(N)=O)[C@@H](C)c2ccccc21	13405162	PRCIILUEVISNEC-CUXJQWCSSA-N	229.283	2.231	50	40	BEGB	
CCOC(=O)N/N=C/c1ccccc1C	1712968	DAVYYRWYGOSNOL-XYOKQWHBSA-N	206.245	2.075	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccncc1	4829326	VUCKSEXZWPSNKP-KDVJWSOISA-N	241.294	2.009	50	40	BEGB	
Cc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	40889259	FLPUISVTFHZFGI-JYRVWZFOSA-N	228.295	2.427	50	40	BEGB	
Cc1cccc(/C=N/NC(=O)c2cccnc2)c1	231145	WTBKEOKDCIOZDD-CXUHLZMHSA-N	239.278	2.154	50	40	BEGB	
CCOC(=O)[C@@H](Cl)[C@](C)(O)c1ccccc1	1702317	PKNSTKFOOAFKHC-ZYHUDNBSSA-N	242.702	2.065	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1cccc(C#N)c1	3316875	DRHDBTSQPVQVLB-SSDOTTSWSA-N	208.648	2.124	50	40	BEGB	in-vitro
CC(C)C(=O)N/N=C\c1ccccc1Cl	36008977	CCJMFDXTUMGBGH-QPEQYQDCSA-N	224.691	2.446	50	40	BEGB	
C[C@H](Cl)C(=O)N(C)C1(C#N)CCCCC1	4218634	FYJXCYSNCDIYAS-VIFPVBQESA-N	228.723	2.299	50	40	BEGB	
O=C1C[C@H]2[C@@H]3C[C@@H]4[C@H]([C@@H](Br)C[C@@H]42)[C@@H]13	104107366	MXVLNNRANFLZHC-FZQHGBCYSA-N	241.128	2.241	50	40	BEGB	
NCc1cc(F)ccc1CBr	228963504	JQACJHUMXURDNH-UHFFFAOYSA-N	218.069	2.179	50	40	BEGB	
Cc1ccccc1OCC(=O)N=C=S	39212962	BXOUHCBWDYXCOA-UHFFFAOYSA-N	207.254	2.003	50	40	BEGB	
CC(C)(C)OC(=O)N1CCC(=CC=O)CC1	96032955	WPKUAASNRHYSLX-UHFFFAOYSA-N	225.288	2.143	50	40	BEGB	
C/C(=N\NC(N)=O)[C@H]1C[C@]2(C)CC[C@@H]1C2(C)C	100363144	VFLILMXHJULMAP-YFIQYEKNSA-N	237.347	2.493	50	40	BEGB	
CC(=O)O[Si](C)(C)O[Si](C)(C)C	195751406	QSPUKCHZOMPBLM-UHFFFAOYSA-N	206.390	2.103	50	40	BEGB	
CCCc1ccc(C(=O)NN)n1[C@H](C)CC	226025902	OMGYWRDRIMIPKM-SECBINFHSA-N	223.320	2.015	50	40	BEGB	
CC(C)(C)OC(=O)/C=C/CBr	36449126	GJWISYPNGDTPOP-SNAWJCMRSA-N	221.094	2.279	50	40	BEGB	in-vitro
C[C@H](CBr)NC(=O)OC(C)(C)C	79238890	OTOODTHBNJYOIV-ZCFIWIBFSA-N	238.125	2.295	50	40	BEGB	in-vitro
CC(=O)Nc1cc(NC(=O)CCl)ccc1C	874217	OJOXCRMURUSFRI-UHFFFAOYSA-N	240.690	2.131	50	40	BEGB	
N#Cc1oc2ccccc2c1NC(=O)CCl	2656593	WABHXSZCVUSUFX-UHFFFAOYSA-N	234.642	2.482	50	40	BEGB	
O=C(CCCl)Nc1cccc([N+](=O)[O-])c1	5569090	NXXXXEHIXFYXNA-UHFFFAOYSA-N	228.635	2.162	50	40	BEGB	in-vitro
N#CC(C#N)=C1CC(=O)c2ccc(F)cc21	168602312	HSXULKAPILMKHA-UHFFFAOYSA-N	212.183	2.213	50	40	BEGB	
Cc1cc(C(=O)CBr)ccc1C#N	238485640	JXNQJKDPMAMGFM-UHFFFAOYSA-N	238.084	2.444	50	40	BEGB	
O=C(CCCl)N[C@H]1C[C@@H]1c1ccccc1	1726859	QMAYBXYLXMEPOA-MNOVXSKESA-N	223.703	2.288	50	40	BEGB	
CCN(Cc1ccccc1C#N)C(=O)CCl	37654125	SPCIOOHOKVVGLR-UHFFFAOYSA-N	236.702	2.146	50	40	BEGB	
C[C@H](I)C(F)(F)F	95635089	HHCQMYDFYORZCQ-REOHCLBHSA-N	223.963	2.372	50	40	BEGB	in-vitro
Fc1ccc(-n2cnnc2CCl)cc1	149837305	JNBACIABOQVUCA-UHFFFAOYSA-N	211.627	2.145	50	40	BEGB	
O=C(O)CP(c1ccccc1)c1ccccc1	2565483	GJOGRUGECVQJBK-UHFFFAOYSA-N	244.230	2.204	50	40	BEGB	
C[C@@H](Cl)C(=O)c1ccc2c(c1)CC(=O)N2C	11566760	WGFTVKPVFBJWLG-SSDOTTSWSA-N	237.686	2.016	50	40	BEGB	
F[C@H](I)C(F)(F)F	63926110	JDAWHMRSFSKYTB-PVQJCKRUSA-N	227.926	2.279	50	40	BEGB	
CC(C)=C[C@H]1C=C(C)[C@H](C)[C@H]2C(=O)OC(=O)[C@H]12	114741815	WGCKYCGUJYPRCV-NNYUYHANSA-N	234.295	2.481	50	40	BEGB	
C[Si](C)(C)O[C@H](C(=O)O)[Si](C)(C)C	199702326	YEUFORSTGVNIGY-QMMMGPOBSA-N	220.417	2.169	50	40	BEGB	
O=C/C=C/C=C/C=C/C=C/N1CCCC1	245189635	YCCDCQQFCGVYMW-UHFFFAOYSA-N	203.285	2.463	50	40	BEGB	
C=C1CC(C(=O)N/N=C/c2ccccc2)C1	353901	BAOCIMGBYNJSHE-NTEUORMPSA-N	214.268	2.103	50	40	BEGB	
O=C(Cc1ccccc1)OCCBr	1566479	ZWWGBCATTSMQFJ-UHFFFAOYSA-N	243.100	2.167	50	40	BEGB	
O=C(CCCl)N[C@@H]1C[C@H]1c1ccccc1	1726858	QMAYBXYLXMEPOA-WDEREUQCSA-N	223.703	2.288	50	40	BEGB	
CC(C)C(=O)N/N=C/c1ccc(Cl)cc1	3163638	ABMFXXOTRWFUJQ-NTUHNPAUSA-N	224.691	2.446	50	40	BEGB	
N#CCOc1ccc(C=C(C#N)C#N)cc1	8220410	PJIYXFLPPKHNQL-UHFFFAOYSA-N	209.208	2.020	50	40	BEGB	
COC/C(C#N)=C\c1ccc(OC)cc1	22113456	AIGQWEMKUIXMKJ-XFFZJAGNSA-N	203.241	2.249	50	40	BEGB	
CC1=C[C@H]2C=C(C=O)C(Cl)=N[C@H]2C=C1	3883577	ULRUSTJZUWACSI-WPRPVWTQSA-N	207.660	2.264	50	40	BEGB	
Br[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12	103911349	PAQFAVIIPCLMHD-KOQQLTMBSA-N	229.117	2.193	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1ccc(C#N)cc1	100456	NDRZEZOQINRJMQ-KPKJPENVSA-N	226.235	2.028	50	40	BEGB	
O=C(O)[C@@H](CBr)c1ccccc1	1577297	REKPUONWQOZKPH-QMMMGPOBSA-N	229.073	2.250	50	40	BEGB	
C/C(=N/NC(=O)c1ccoc1C)c1cccnc1	12372507	XWVWSDQVXIXDPB-DHDCSXOGSA-N	243.266	2.137	50	40	BEGB	
C=CCOc1cccc(/C=N\NC(=O)C(C)C)c1	58885368	KXJBYSAEEBXHIT-GDNBJRDFSA-N	246.310	2.358	50	40	BEGB	
CC(C)(C)OC(=O)N1C(=O)C[C@]1(C)CCl	72481917	IIRYVRDXLKQFNR-SNVBAGLBSA-N	233.695	2.151	50	40	BEGB	
CN1c2ccccc2[C@@H]2C=C(C=O)C=C[C@@H]21	95098623	PYFGQYUCBXXFMR-JSGCOSHPSA-N	211.264	2.284	50	40	BEGB	
COC(=O)c1ccccc1C(=O)[C@H](C)Cl	308825271	RCMINGWPCJESOC-ZETCQYMHSA-N	226.659	2.283	50	40	BEGB	
CC(=O)N/N=C/c1ccc(C)c(C)c1C	175429	WFXHRHQYPDWOGQ-NTUHNPAUSA-N	204.273	2.082	50	40	BEGB	
CC1=C[C@@H]2C=C(C=O)C(Cl)=N[C@H]2C=C1	3883576	ULRUSTJZUWACSI-SCZZXKLOSA-N	207.660	2.264	50	40	BEGB	
COC(=O)N/N=C/[C@@H](C)c1ccccc1	6251031	AMNCMGFCHCWFCX-YXYQAXARSA-N	206.245	2.132	50	40	BEGB	
O=[S@](Cl)C(Cl)(Cl)Cl	100117740	XUDFWSSAMJVVCP-SSDOTTSWSA-N	201.889	2.217	50	40	BEGB	in-vitro
C[C@@H]1C[C@@H]2O[C@]2(C)C[C@@H]1[C@H]1OC[C@H](CCl)O1	254611156	RWLBJPNYLMZBCM-CNOCOONNSA-N	246.734	2.170	50	40	BEGB	
Cc1ccc(CC(=O)N/N=C/c2ccc[nH]2)cc1	511994	LMKNNOWASOKKHV-MHWRWJLKSA-N	241.294	2.016	50	40	BEGB	
CCOC(=O)CCCCC(=O)CCCl	2005689	NPJCCMWYKLAISW-UHFFFAOYSA-N	220.696	2.308	50	40	BEGB	in-vitro
O=C(Cc1ccccc1)N/N=C\c1ccccc1	31648544	MPFFIYHRLWVBBJ-VBKFSLOCSA-N	238.290	2.379	50	40	BEGB	
O=C(CCl)c1ccc2[nH]c(=O)sc2c1	34227149	IYBCEMNVTVBJOH-UHFFFAOYSA-N	227.672	2.011	50	40	BEGB	
COC(=O)[C@@H](OCCCl)c1ccccc1	72417732	KWJUQOJDDQFEOE-JTQLQIEISA-N	228.675	2.156	50	40	BEGB	
C[P@]1(c2ccccc2)CCC(N)=C(C#N)C1	104157392	DTPCSHPYDVFWNN-UHFFFAOYSA-N	231.259	2.099	50	40	BEGB	
ClC[C@H]1CC(c2ccc3c(c2)OCO3)=NO1	217845870	MCEMQMQARCDUPQ-MRVPVSSYSA-N	239.658	2.147	50	40	BEGB	
O=P(N=C=S)(N=C=S)N=C=S	100535943	VYEBOTIQECQAHF-UHFFFAOYSA-N	221.228	2.403	50	40	BEGB	
CO/C(N)=C(C#N)/N=C/c1ccc(Cl)cc1	3125234	RWPHECCRMKQMFZ-BUVLTHAESA-N	235.674	2.057	50	40	BEGB	
Cc1cccc(OCC(=O)N=C=S)c1	39075611	QZPCKKWHARCYJC-UHFFFAOYSA-N	207.254	2.003	50	40	BEGB	
Cc1cccc(OCC(=O)N=C=S)c1C	70461487	DJQFCUNSDAGMKB-UHFFFAOYSA-N	221.281	2.312	50	40	BEGB	
COc1ccc(OC)c2c1C=C(C=O)CC2	39423570	TZFRHNWIPYFRPE-UHFFFAOYSA-N	218.252	2.232	50	40	BEGB	
Cn1nc(-c2ccccc2)cc1C(=O)Cl	5177730	YTYWUDWSOXANNS-UHFFFAOYSA-N	220.659	2.466	50	40	BEGB	
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Cl)c1	19438288	WVXROJCIUSNZGD-SSDOTTSWSA-N	240.690	2.211	50	40	BEGB	in-vitro
Cc1c(C)c(O)c2c(c1C)[C@@H](C)C(=O)OC2=O	85553784	PXPDDNZJJKVTBG-MRVPVSSYSA-N	234.251	2.118	50	40	BEGB	
CC1(C)COCC[C@H]1CBr	575631059	NWXBSNFPNDVPBJ-ZETCQYMHSA-N	207.111	2.444	50	40	BEGB	
C[N+]1(C)CCCC[C@@H]1CBr	158442	WAIYURWSOUTWJL-MRVPVSSYSA-N	207.135	2.010	50	40	BEGB	
COC(=O)N1C(C#N)=CCc2ccccc21	1611447	MFMIUHLBJMITPC-UHFFFAOYSA-N	214.224	2.223	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccco1	4577519	OECOHRVWINQQES-NQGJJBDLSA-N	232.283	2.431	50	40	BEGB	
BrC[C@H]1NCCc2ccccc21	16697072	IUHXMWQLNAFUOA-SNVBAGLBSA-N	226.117	2.268	50	40	BEGB	
CC(C)[C@@H](Br)C(=O)NC1CCCC1	19428645	WJGPMEBCUHKVLX-SECBINFHSA-N	248.164	2.465	50	40	BEGB	
CN1CCN(C[C@H](Cl)c2ccccc2)CC1	23583885	BQFUFWBRLUQWFC-ZDUSSCGKSA-N	238.762	2.214	50	40	BEGB	
O=C(O)CCCC[C@H](F)CBr	98174877	PKFHNCCJXSTBMV-LURJTMIESA-N	227.073	2.364	50	40	BEGB	
CC(=O)Oc1cccc(C(=O)[C@H](C)Cl)c1	308806625	OYNPKFKLIGTGGK-ZETCQYMHSA-N	226.659	2.422	50	40	BEGB	
C[C@@H](CBr)OCCBr	5515571	GMBJMUXHZUREOG-YFKPBYRVSA-N	245.942	2.181	50	40	BEGB	
COc1cc(F)c(C(=O)CCl)cc1F	83256824	BXGCKEZHPUNOQG-UHFFFAOYSA-N	220.602	2.395	50	40	BEGB	
C=CCOc1cccc(/C=C(\C#N)C(N)=S)c1	107701299	SURYWJXMSYNYTE-YRNVUSSQSA-N	244.319	2.444	50	40	BEGB	
N#C/C(=C\c1ccc2ccccc2c1)C(N)=O	586978	FAWNZLCXQPMFLG-MDWZMJQESA-N	222.247	2.232	50	40	BEGB	
O=C1[C@H](Br)CCN1C1CCCCC1	82606496	RIWNJINXGLRLDD-SECBINFHSA-N	246.148	2.315	50	40	BEGB	
O=C/C=C\c1ccc([N+](=O)[O-])cc1Cl	4983226	VDKXIAGMRMTHAF-UPHRSURJSA-N	211.604	2.460	50	40	BEGB	
COC1CCCCC(=NNC(N)=O)CCCC1	5029994	WFEBNXOSJRUILT-UHFFFAOYSA-N	241.335	2.160	50	40	BEGB	
CC1CCN(C(=O)[C@H](C)Br)CC1	41710134	SKIWGQTVBFUANB-QMMMGPOBSA-N	234.137	2.028	50	40	BEGB	
Cc1ccc(-n2cccc2C(=O)NN)c(Cl)c1	223726656	NTJAYCXOYTZVGO-UHFFFAOYSA-N	249.701	2.043	50	40	BEGB	
O=C(Cl)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Cl	256272560	MNCRMCGXPHYWEZ-VWDOSNQTSA-N	221.083	2.180	50	40	BEGB	
NNC(=O)OC(c1ccccc1)c1ccccc1	1604206	LKGRPUNUHDQTJB-UHFFFAOYSA-N	242.278	2.376	50	40	BEGB	
COC(=O)[C@H](Cl)c1ccc(OC)c(OC)c1	50977857	VAYHAKCXKBZSKL-SNVBAGLBSA-N	244.674	2.157	50	40	BEGB	
CCN(CC)c1ccc(/C=N/NC(C)=O)cc1	5311765	QIWVCWKIGRFBQL-GXDHUFHOSA-N	233.315	2.003	50	40	BEGB	
CCC(CC)C(=O)NNc1ncc(Cl)cn1	72427691	MPSGFIRGHDZAGO-UHFFFAOYSA-N	242.710	2.009	50	40	BEGB	
O[C@@H](CBr)c1cccc(F)c1	71603012	DEDQEPMGJUPGHH-QMMMGPOBSA-N	219.053	2.254	50	40	BEGB	
COc1ccc([C@H](C)NC(=O)CCl)cc1	72329862	ZQEXSNUQXWBMBA-QMMMGPOBSA-N	227.691	2.111	50	40	BEGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)O1	195812106	OBEODKRPVKJAIX-VIFPVBQESA-N	228.364	2.490	50	40	BEGB	
Cc1ccc(C(=O)NNC2=NCCCCC2)cc1	98026929	DFENNKWCAYKITM-UHFFFAOYSA-N	245.326	2.202	50	40	BEGB	
O=C1O[C@H](Br)c2cccc(F)c21	169797485	SMYYICYHWPBHAN-ZETCQYMHSA-N	231.020	2.390	50	40	BEGB	
CC(=O)Oc1ccc(Cl)cc1/C=C/C=O	1704593	CSUFXMZCPYMCLR-NSCUHMNNSA-N	224.643	2.477	50	40	BEGB	
COc1ccc(CCl)c(OC)c1OC	1715812	HEAQHTKDZPKODU-UHFFFAOYSA-N	216.664	2.451	50	40	BEGB	in-vitro
Cn1c(CCl)nc2cc(C(=O)O)ccc21	22016811	KNYJGPQOWMJUHA-UHFFFAOYSA-N	224.647	2.010	50	40	BEGB	
O=C(NCCCl)Nc1cccc(F)c1	40413395	OMTBVYGKVUTWNV-UHFFFAOYSA-N	216.643	2.186	50	40	BEGB	
CCc1ccc(-n2cc(C(=O)Cl)nn2)cc1	85345174	YYPCTPLJQMNAFT-UHFFFAOYSA-N	235.674	2.209	50	40	BEGB	
C[C@H](C#N)OC[C@@H](Br)C(F)(F)F	1083811084	VDXPHHMHWORQGE-RFZPGFLSSA-N	246.026	2.241	50	40	BEGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)O	1640940	MXCRRKYUQNHWLJ-YVMONPNESA-N	207.616	2.332	50	40	BEGB	
CCOc1ccc(C(=O)Cl)cc1OC	33433341	OOBKLOHBEVKOBB-UHFFFAOYSA-N	214.648	2.473	50	40	BEGB	
CC1(NC(=O)N(CCCl)N=O)CCCC1	4958276	IYBJGNAJINQPDR-UHFFFAOYSA-N	233.699	2.251	50	40	BEGB	
COC(=O)c1cc(CCl)ccc1F	91294535	UNZSKXNPYBIBCJ-UHFFFAOYSA-N	202.612	2.351	50	40	BEGB	
Cc1nc([C@@H](Br)C#N)cs1	126780102	PKSYNOJDSGIPPB-YFKPBYRVSA-N	217.091	2.411	50	40	BEGB	
ClCCCN(CCCl)CCCl	1700886	UIPZUXAFYJBHCL-UHFFFAOYSA-N	218.555	2.395	50	40	BEGB	
F[C@H](Br)CBr	95707802	MZYSDQJCGXPRJB-REOHCLBHSA-N	205.852	2.072	50	40	BEGB	
Cc1cc2c(cc1C=C(C#N)C#N)OCO2	408987269	FLKWMESDMRUPBB-UHFFFAOYSA-N	212.208	2.154	50	40	BEGB	
NNC(=O)c1cc2c(s1)CCCCCC2	3887528	RJZNGIMIWYNIKV-UHFFFAOYSA-N	224.329	2.011	50	40	BEGB	
O=C(CCBr)NC1CCCCC1	6760951	PHWGXHKYNXZVIB-UHFFFAOYSA-N	234.137	2.220	50	40	BEGB	
O=C(O)c1ccc(CBr)cc1F	44227106	WSTLFAWLFXOZKC-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	
CCC(CC)CNC(=O)[C@@H](C)Br	5498132	LNZKWQDTRATLQE-SSDOTTSWSA-N	236.153	2.322	50	40	BEGB	
C/C(=N\NC(=O)c1ccco1)c1ccccc1	12416914	CTUDUMNTBVGXLZ-GXDHUFHOSA-N	228.251	2.434	50	40	BEGB	
C[C@H](Br)C(=O)OCC(C)(C)C	2046409	FSEZYMCROKYKBK-LURJTMIESA-N	223.110	2.359	50	40	BEGB	
COc1ccc(OC(=O)CCCl)cc1	1615005	YIDZNXNGEIAZTM-UHFFFAOYSA-N	214.648	2.230	50	40	BEGB	
O=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccc(O)cc1	35729817	IRZLLOQNQDTOFR-DTOOMTAISA-N	242.278	2.074	50	40	BEGB	
O=C1OC(=O)[C@H]2[C@H]1CC=C[C@H]2c1ccccc1	100083284	SISNVYGRWPGDFF-QJPTWQEYSA-N	228.247	2.046	50	40	BEGB	
O=C(N/N=C/C1CCCCC1)c1ccccn1	5020115	GUJWAXMUGHECFO-XNTDXEJSSA-N	231.299	2.378	50	40	BEGB	
C[C@H](Br)C(=O)Oc1ccccc1	1847224	JWAVCRPHRRVUIT-ZETCQYMHSA-N	229.073	2.375	50	40	BEGB	
CC(C)(NCCCl)[C@@H](O)c1ccccc1	5962406	ZMUPSFOTLZFXGY-NSHDSACASA-N	227.735	2.327	50	40	BEGB	
O=C(CCl)Nc1ccn(Cc2ccccc2)n1	57214365	SVQHAOXKPRSPOM-UHFFFAOYSA-N	249.701	2.109	50	40	BEGB	
CC(C)(C)N/C=C(/C#N)C(=O)C(C)(C)C	100943163	MIYKUQGFFPJPNS-HJWRWDBZSA-N	208.305	2.397	50	40	BEGB	
NC(=O)N/N=C1/CCC[C@@H]2CCCC[C@@H]12	104375891	MBXWMIKCSWJUHH-NODHTMHHSA-N	209.293	2.001	50	40	BEGB	
CCN(Cc1cccs1)C(=O)CCl	4206026	XVRZBQWFJSKOEU-UHFFFAOYSA-N	217.721	2.335	50	40	BEGB	
CCOC(=O)N/N=C(\C)c1ccc(OC)cc1	4365443	MDAMGLVNTWVXAK-UKTHLTGXSA-N	236.271	2.165	50	40	BEGB	
C[C@H]1CCCN(C(=O)CCCCl)C1	5217938	TXADQOXZTQSQRG-VIFPVBQESA-N	203.713	2.264	50	40	BEGB	
O=CN/N=C\c1ccc(Cl)cc1Cl	31686896	DDFQYHXCMSAYIV-WCIBSUBMSA-N	217.055	2.073	50	40	BEGB	
CCOC(=O)/C=C(/C)O[Si](C)(C)C	169918646	TYQSGJQIXZTWHI-FPLPWBNLSA-N	202.326	2.305	50	40	BEGB	
COc1ccc([N+](=O)[O-])cc1CCl	3410452	SSYDSTKMOYVTMW-UHFFFAOYSA-N	201.609	2.342	50	40	BEGB	in-vitro
CC1(C)[C@H](CBr)CC[C@@]1(C)C(N)=O	3845930	DVZREXQMNIVJCX-XVKPBYJWSA-N	248.164	2.309	50	40	BEGB	biogenic
O=c1[nH]c(CCl)nc2ccc(Cl)cc12	3888504	GFXYOWSVACVDIK-UHFFFAOYSA-N	229.066	2.315	50	40	BEGB	in-vitro
C[C@@H](Cl)C(=O)N1CCc2sccc2C1	19470315	PWKBWZRQYRSKLR-SSDOTTSWSA-N	229.732	2.260	50	40	BEGB	in-vitro
CC(C)C[C@H](NC(=O)CCCCCl)C(=O)O	1733677	KLRYJQNMJWGJLL-VIFPVBQESA-N	249.738	2.011	50	40	BEGB	
O=C(CCl)N[C@H]1CCC[C@H](C(F)(F)F)C1	35222750	YPZAICAWEBJFND-BQBZGAKWSA-N	243.656	2.463	50	40	BEGB	
O=C(Cl)[C@@H]1CCCN1Cc1ccccc1	96125848	ZDTDYTRIYBAWEZ-NSHDSACASA-N	223.703	2.416	50	40	BEGB	
Cn1c(=O)cc(CCl)c2ccccc21	1700635	MKVNTYGLLWTMFN-UHFFFAOYSA-N	207.660	2.277	50	40	BEGB	
Cc1ccc(C)c(NC(=O)NC(=O)CCl)c1	28648628	ZTGVDLYTWFHHHL-UHFFFAOYSA-N	240.690	2.190	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	34117371	DCAVZAICHIBXQP-QMMMGPOBSA-N	229.619	2.048	50	40	BEGB	
COC(=O)c1cccc(CN=C=S)c1	40457226	BTIIPQQBLULMJN-UHFFFAOYSA-N	207.254	2.076	50	40	BEGB	in-vitro
COc1ccc(C(=O)NNc2ccccc2)cc1	174991	FUKLJLAWEQBGGR-UHFFFAOYSA-N	242.278	2.452	50	40	BEGB	
C[C@@]12CCCC[C@@H]1C/C(=N/NC(N)=O)CC2	4984532	HBCIDRSOFPMSHX-JHZWRWFKSA-N	223.320	2.391	50	40	BEGB	
Br[C@H]1CCC[C@H]2CNCC[C@@H]12	14988981	IIYRCTSNIWCZEC-YIZRAAEISA-N	218.138	2.160	50	40	BEGB	
O=[N+]([O-])c1ccccc1C1=NO[C@H](CCl)C1	217846266	VKAIZGORMZZCMJ-ZETCQYMHSA-N	240.646	2.327	50	40	BEGB	
Cc1ccc(NC(=O)[C@@H](C)Cl)cc1[N+](=O)[O-]	19428836	DDXSRIAXJBYUOR-SSDOTTSWSA-N	242.662	2.469	50	40	BEGB	
CCCCCCOc1ccccc1C(=O)NN	30947870	HPJFJDINBGGDLF-UHFFFAOYSA-N	236.315	2.249	50	40	BEGB	
CCN(Cc1ccc(C#N)cc1)C(=O)CCl	79420472	KEYNTKRCKHZARP-UHFFFAOYSA-N	236.702	2.146	50	40	BEGB	
CC(=O)NNc1cccc(C(F)(F)F)c1	2774598	XIKXWQIRMDLZFJ-UHFFFAOYSA-N	218.178	2.168	50	40	BEGB	
CC(=O)N(N=O)c1ccc(Br)cc1	4962197	YTEGAOKVBWLIMS-UHFFFAOYSA-N	243.060	2.483	50	40	BEGB	
CCNC(SCc1ccncc1)=C(C#N)C#N	6380277	SQMYPTZMJNNQFC-UHFFFAOYSA-N	244.323	2.183	50	40	BEGB	
O=C(CCl)O/N=C1\CCc2ccccc21	15022744	UTWOHTYFMIFTMJ-JLHYYAGUSA-N	223.659	2.119	50	40	BEGB	
O=C1O[C@@H](Br)c2cccc(F)c21	169797483	SMYYICYHWPBHAN-SSDOTTSWSA-N	231.020	2.390	50	40	BEGB	
CCOC(=O)c1cc(N)ccc1SC#N	19873064	DDUVZVOBHHKQEQ-UHFFFAOYSA-N	222.269	2.019	50	40	BEGB	
NC(=O)NN=C1c2ccccc2-c2ccccc21	5521573	HKEQNKWTQCUEFY-UHFFFAOYSA-N	237.262	2.088	50	40	BEGB	
C[C@H]1NC(=C(C#N)C#N)Nc2ccccc21	6545476	NIGXDULEPZOWCD-MRVPVSSYSA-N	210.240	2.021	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccncc1	102254811	PAOAASVTCLOHOA-AMBBKQMRSA-N	243.310	2.233	50	40	BEGB	
CN(C)/C=C(/C#N)C(=O)c1ccc(F)cc1F	12496338	LBVXYAHPDWCZGR-FPLPWBNLSA-N	236.221	2.117	50	40	BEGB	
Cc1ccc(C(=O)NN=C(CCl)CCl)o1	100244301	DDAXRWXZVGSVED-UHFFFAOYSA-N	249.097	2.151	50	40	BEGB	
C[C@@H](Cl)C(=O)N(C)c1ccccc1C#N	87502693	KEVDKNPKZVZSDH-MRVPVSSYSA-N	222.675	2.148	50	40	BEGB	
CN(C)C(=O)[C@]12CC[C@H](C[C@@H]1Br)C2	1713026	PPKHWGBZVYUOKV-WEDXCCLWSA-N	246.148	2.028	50	40	BEGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](/C=N\NC(N)=O)C2	71254774	YLVNMDLQYFEFCH-NZBOOIKASA-N	223.320	2.103	50	40	BEGB	
CCCn1ccc(CBr)n1	256055000	YSJPHBOEAPGJTQ-UHFFFAOYSA-N	203.083	2.188	50	40	BEGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/N(C)C)c1	390829384	DXIWUUAJIBQCNO-FMIVXFBMSA-N	243.310	2.211	50	40	BEGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2N=C=S	104352284	BRPOQWPCHGVQFZ-SOCHQFKDSA-N	209.314	2.483	50	40	BEGB	
CCCCc1ccc(/C(C)=N/NC(N)=O)cc1	7894930	OEAUILBINKAJSR-XNTDXEJSSA-N	233.315	2.422	50	40	BEGB	
COc1cc2c(cc1OC)C(Cl)=C(C=O)C2	1857793595	WYCLJSIEFASNBE-UHFFFAOYSA-N	238.670	2.409	50	40	BEGB	
O=C(NCCCl)Nc1cccnc1Cl	3225402	FWXMDQVQGKOLAS-UHFFFAOYSA-N	234.086	2.095	50	40	BEGB	
O=C1OC(=O)[C@H]2CC(c3ccccc3)=CC[C@H]12	100494389	JKYWPOLMZPJQML-RYUDHWBXSA-N	228.247	2.180	50	40	BEGB	
C[C@H]1CN(C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#N	102674041	YYWGOFGEYIAJJS-NZBPQXDJSA-N	244.338	2.200	50	40	BEGB	
CC(C)(CCl)C(=O)NNc1ccccc1	3104464	QLQHGJSQEVIKOF-UHFFFAOYSA-N	226.707	2.395	50	40	BEGB	
Cc1ccc(CNC(=O)[C@H](C)Cl)cc1	12504920	BUITZLONWBSHSB-VIFPVBQESA-N	211.692	2.239	50	40	BEGB	in-vitro
O=C1OC(=O)[C@@H]2C[C@@H](c3ccccc3)CC[C@H]12	95713959	LZYYSHYKQSQTRW-SDDRHHMPSA-N	230.263	2.270	50	40	BEGB	
O=[N+]([O-])c1ccccc1-c1nnc(CCl)o1	287831	CSPLDVZKIRDLDS-UHFFFAOYSA-N	239.618	2.384	50	40	BEGB	
FC(F)(F)CN1CC[C@@H](CBr)C1	87760428	SCFRTGANOQWGEP-LURJTMIESA-N	246.070	2.266	50	40	BEGB	
C/C(=N\NC(N)=O)c1ccc(Cl)c(Cl)c1	13474249	RNPCDQNIIZVNNZ-WLRTZDKTSA-N	246.097	2.386	50	40	BEGB	
ClC[C@@H](Cc1cnc[nH]1)NCc1ccccc1	19939760	UJXAKNNVMUDNLF-GFCCVEGCSA-N	249.745	2.349	50	40	BEGB	
CCC(CC)CNC(=O)[C@H](C)Br	1576989	LNZKWQDTRATLQE-ZETCQYMHSA-N	236.153	2.322	50	40	BEGB	
C=CCN1C=CC=C/C1=C\C=C(C#N)C#N	5290701	SPKUJVALMSZUBJ-NTUHNPAUSA-N	209.252	2.415	50	40	BEGB	
O=C(Cl)Cc1c(F)cc(F)cc1F	75902428	GAMFEVYAONWFME-UHFFFAOYSA-N	208.566	2.412	50	40	BEGB	in-vitro
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C	3293370	DBNMDTVKDWABTM-ZCFIWIBFSA-N	243.690	2.228	50	40	BEGB	
CCOC(=O)c1ccncc1CBr	39414104	OZFOFBWYGUIJIM-UHFFFAOYSA-N	244.088	2.153	50	40	BEGB	
CN(C)NC(=O)CC12CC3CC(CC(C3)C1)C2	3899127	UNPBCQQLPQCPHR-UHFFFAOYSA-N	236.359	2.186	50	40	BEGB	
Cn1cc(/C=C(\C#N)C(=O)c2cccs2)cn1	14122285	FGMCAEMPRLVODG-BJMVGYQFSA-N	243.291	2.271	50	40	BEGB	
O=C(CCl)Nc1ccc(C(F)(F)F)cn1	40441649	OGOWSXDCGFADJC-UHFFFAOYSA-N	238.596	2.278	50	40	BEGB	
COC(=O)[C@H](Cl)c1cccc(F)c1	50977705	LRGZIEJDQLKLCK-MRVPVSSYSA-N	202.612	2.279	50	40	BEGB	
CN(C)/C=C/C(=C(C#N)C#N)c1ccco1	96319572	HXCVAQPUQVSJTR-AATRIKPKSA-N	213.240	2.156	50	40	BEGB	
CC(C)SSC(=O)N1CCC[C@H]1C(=O)O	1587145	ARFSSVGBDZMDMH-ZETCQYMHSA-N	249.357	2.445	50	40	BEGB	
O=C(C(Cl)Cl)N1CCc2ccccc2C1	4900826	UGUAQTWXVMMYQL-UHFFFAOYSA-N	244.121	2.375	50	40	BEGB	
N#C/C(=C/Sc1ccccc1F)C(=N)N	12375621	AGIVAUXMWICRRQ-SREVYHEPSA-N	221.260	2.261	50	40	BEGB	
CC(/C=C\c1cccc(C)c1)=N/NC(N)=O	17141580	JCDOLCQVJBXJCP-FSGUHFLXSA-N	217.272	2.052	50	40	BEGB	
CCCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	31671975	BNUSSGNJEMLNDS-LCYFTJDESA-N	249.270	2.235	50	40	BEGB	
CC(=O)N/N=C1\CC(C)(C)[C@@H]2CC[C@@H]1C2	102935045	WUEKNJXUHBWDRN-FHQJZVNASA-N	208.305	2.325	50	40	BEGB	
C[C@H]1C[C@@H]2C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)OC3=O	104097624	JMFUYHHFTOVIJZ-XHGVETGHSA-N	222.284	2.148	50	40	BEGB	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Cl)C1	100901303	PBIMBCFTHLZFNG-YIZRAAEISA-N	203.713	2.118	50	40	BEGB	
Cl[C@H]1[C@@H]2C[C@@H]([C@H]1Cl)[C@@H]1C[C@H]3O[C@@H]3[C@H]21	104261606	UVOJEOIBCUNYLY-NGKYFLPRSA-N	219.111	2.254	50	40	BEGB	
CC(=O)c1csc(C(=O)CCl)c1	13528258	ZXOHJCAZMWPEQT-UHFFFAOYSA-N	202.662	2.372	50	40	BEGB	in-vitro
CC(C)=NNC(=O)c1cccc2cc[nH]c12	1242191	FKNHCLWWABBGLY-UHFFFAOYSA-N	215.256	2.294	50	40	BEGB	
CCOC(=O)[C@@H]1CCCC[C@@H]1N=C=S	4262587	AIKOBLQGXOVNNL-BDAKNGLRSA-N	213.302	2.211	50	40	BEGB	
C/C=N/NC(=O)c1ccccc1Br	4578522	HPAUWLAJMFZHEC-BIIKFXOESA-N	241.088	2.185	50	40	BEGB	
CC(=O)Nc1cccc(NC(C)=C(C#N)C#N)c1	5636813	WGRJDYNSTYUJPH-UHFFFAOYSA-N	240.266	2.378	50	40	BEGB	
Cc1ccc(/C=C2/C(=O)ON=C2CCl)o1	34926742	CHKFFQGOYULBML-XBXARRHUSA-N	225.631	2.123	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2ccncc2)cc1	38205113	UIVRXJFNVPEHMS-YBEGLDIGSA-N	239.278	2.154	50	40	BEGB	
O=C(C[C@H]1CCCC[C@@H]1O)NNc1ccccc1	1716488	QXHSBZRUGINJTA-YPMHNXCESA-N	248.326	2.071	50	40	BEGB	
COCCN1C(C)=CC(=C(C#N)C#N)C=C1C	1795629	QEUYETMNGXOWNH-UHFFFAOYSA-N	229.283	2.100	50	40	BEGB	
CCn1nc(C)c(NC(=O)CCCl)c1C	20198694	XDJNJBYCGHGABM-UHFFFAOYSA-N	229.711	2.087	50	40	BEGB	
C[C@H](Cl)C(=O)NC(C)(C)c1nccs1	41696201	UBKHYYDABMQXGN-LURJTMIESA-N	232.736	2.122	50	40	BEGB	
COc1ccc(/C=C(/C#N)C(=O)Cl)cc1	3882840	UZSAZHVTRXUECQ-TWGQIWQCSA-N	221.643	2.368	50	40	BEGB	
CC(C)=NNC(=O)c1cc2ccccc2[nH]1	13897418	BTWKMIFJRBRVHV-UHFFFAOYSA-N	215.256	2.294	50	40	BEGB	
O=C(N/N=C1/CCSC1)C1CCCCC1	4613949	HGEYWBYZUBHBRH-BENRWUELSA-N	226.345	2.176	50	40	BEGB	
Cc1cc(C(=O)CBr)ccc1O	34409271	UDORKTOXFJWYDF-UHFFFAOYSA-N	229.073	2.278	50	40	BEGB	
COc1ccc2c(c1)C(=C(C#N)C#N)C=CN2C	2022397	COGSLOPHKFBILH-UHFFFAOYSA-N	237.262	2.459	50	40	BEGB	
CCC[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21	96336758	ABWZNLONRFPVFA-VIFPVBQESA-N	230.267	2.362	50	40	BEGB	
CCCCCCCCc1ccc(B(O)O)s1	382690498	QYMNKBCSQISSHF-UHFFFAOYSA-N	240.177	2.331	50	40	BEGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc[nH]1	25337934	HDLSCKWETHIZPN-MDWZMJQESA-N	223.276	2.263	50	40	BEGB	
CCOC(=O)C[C@H](Cl)C(F)(F)F	72265752	STBCGAHPQSTVTR-BYPYZUCNSA-N	204.575	2.109	50	40	BEGB	in-vitro
CCC/C=N/NC(=O)c1ccc(F)cc1	5177338	YABOVVOBAMMJOK-MDWZMJQESA-N	208.236	2.341	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1	4506752	XAEMKGSDBJLXPE-WQLSENKSSA-N	214.268	2.118	50	40	BEGB	
C[C@H](Cl)C(=O)NCc1ccccc1F	19486188	KEXAYYLFTCRYHE-ZETCQYMHSA-N	215.655	2.069	50	40	BEGB	
O=C(N/N=C/c1ccc(F)s1)c1ccncc1	225389900	UTWJHNXNHZYSIV-VGOFMYFVSA-N	249.270	2.046	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccco1	102584326	OECOHRVWINQQES-WDLDIGNLSA-N	232.283	2.431	50	40	BEGB	
Cc1ccc2c(c1)C=C(CO)[C@H](Cl)N2	422209	LVZRLMWXCJJDBO-LLVKDONJSA-N	209.676	2.361	50	40	BEGB	
N#CC(C#N)=C(C#N)c1cc2c([nH]1)CCCC2	792449	NPRFKFFTGJKABM-UHFFFAOYSA-N	222.251	2.218	50	40	BEGB	
COC(=O)[C@@H](CBr)c1ccccc1	40556419	LJKQRNDCJLRTCJ-VIFPVBQESA-N	243.100	2.338	50	40	BEGB	
COc1ccccc1[C@@H]1OC[C@@H](CCl)O1	1677481	FGZZEMGDNLVORZ-LDYMZIIASA-N	228.675	2.348	50	40	BEGB	
N#C/C(=C/c1cccc2ccccc12)C(N)=O	143928	AVMHTBJNERNMNF-WQLSENKSSA-N	222.247	2.232	50	40	BEGB	
Cc1cccc(C(=O)NNC(=O)CC(C)C)c1C	24607809	XRMQMWMHUSCGFF-UHFFFAOYSA-N	248.326	2.111	50	40	BEGB	
O=C(Cl)c1cc([N+](=O)[O-])c(F)cc1F	79387399	TYAWHJWDJPXNTO-UHFFFAOYSA-N	221.546	2.252	50	40	BEGB	
CCc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	96765713	BNXCUUKBHPUTQW-WQLSENKSSA-N	235.308	2.158	50	40	BEGB	
CO[Si](/C=C/c1ccccc1)(OC)OC	196505067	JRSJRHKJPOJTMS-MDZDMXLPSA-N	224.332	2.117	50	40	BEGB	
O=C1[C@H](Br)[C@@H]2[C@@H]3C=C[C@@H]4[C@H]3C[C@H]2[C@@H]14	261361237	SHVDPBAXIYITKD-OMCDLXCCSA-N	239.112	2.017	50	40	BEGB	
CCn1cc(/C=C(\C#N)c2nccs2)cn1	8782648	XRAIBBAAKGPAAS-BJMVGYQFSA-N	230.296	2.424	50	40	BEGB	
CC(C)(C)OC(=O)NNCc1cccc(C#N)c1	36468247	SNTBQRVSDCIKPL-UHFFFAOYSA-N	247.298	2.088	50	40	BEGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2N=C=S	104352291	BRPOQWPCHGVQFZ-RNSXUZJQSA-N	209.314	2.483	50	40	BEGB	
[C-]#[N+][C@H](Cc1c[nH]c2ccccc12)C(=O)OC	104899507	FXJQZEDJHCSNFQ-GFCCVEGCSA-N	228.251	2.171	50	40	BEGB	
Oc1ccc(-c2cn(CCl)cn2)cc1O	199772719	RNDIALOGCFQGBO-UHFFFAOYSA-N	224.647	2.158	50	40	BEGB	
O=C(Cl)c1cccc(N2CCCC2=O)c1	59843376	JXCBVKGEIDYYJD-UHFFFAOYSA-N	223.659	2.192	50	40	BEGB	
CCCCc1ccc(C(=O)NN)n1[C@H](C)CC	226026742	XIJXUCPMIJYGHH-SNVBAGLBSA-N	237.347	2.405	50	40	BEGB	
N#C/C(=C\c1ccc(F)cc1)C(N)=S	243944	TXTBVZMAVKCLRA-VMPITWQZSA-N	206.245	2.019	50	40	BEGB	
ClCCOC(CCl)OCCCl	1724574	SNXUWLWJQDFWDB-UHFFFAOYSA-N	221.511	2.062	50	40	BEGB	
CSc1ccc(/C(C)=N/NC(N)=O)c(C)c1	4976394	LQSNXKBZOXTRJY-MDWZMJQESA-N	237.328	2.109	50	40	BEGB	
CC1=C/C(=N\NC(=O)c2ccc(O)cc2)CC1	5163659	BVPYAUTZGYARFQ-KAMYIIQDSA-N	230.267	2.218	50	40	BEGB	
CC(C)(C)OC(=O)NNC(=O)C1CCCCC1	3425686	ATVODCYOKBFEIT-UHFFFAOYSA-N	242.319	2.123	50	40	BEGB	
CC(C)=NNC(=O)CCc1ccccc1	5631524	ISQYPMHKQDAORA-UHFFFAOYSA-N	204.273	2.131	50	40	BEGB	
CC[C@@H](C)OC(=O)OCCBr	1083809821	OPXYICQTUSNQQK-ZCFIWIBFSA-N	225.082	2.333	50	40	BEGB	
CCOC(=O)c1ccc(N)c(SC#N)c1	161339	IDQBCVMRKWCDQS-UHFFFAOYSA-N	222.269	2.019	50	40	BEGB	
CC1(C)C[C@@H](CN=C=S)C(C)(C)N1[O]	95911106	MZPCWCPVLFYVIH-QMMMGPOBSA-N	213.326	2.314	50	40	BEGB	
C/C(=N/NC(N)=O)C1=C[C@@]2(C)CC[C@H]1C2(C)C	100363188	MUWXGLGFBULXSQ-CBMCWEALSA-N	235.331	2.413	50	40	BEGB	
N#C/C(=C\C=C(/Cl)c1ccccc1)C(N)=O	160286	IOGXULNIJZFAPK-QZTBCQRESA-N	232.670	2.202	50	40	BEGB	
Cc1ccccc1C[C@H](Br)C(=O)O	17380453	GWTTZWWNWOGUAX-VIFPVBQESA-N	243.100	2.386	50	40	BEGB	
N#CC(C#N)=C(c1ccccc1)[C-](C#N)C#N	71789914	BNNXUWMNFLIDMK-UHFFFAOYSA-N	217.211	2.109	50	40	BEGB	
N#CC(C#N)=C1C(=O)Nc2ccc(Cl)cc21	90561765	QCINQVDLOBACTJ-UHFFFAOYSA-N	229.626	2.093	50	40	BEGB	
O=S1(=O)C[C@@]23CCCC[C@]2(CC3)[C@H]1Cl	101043356	BJJXKSWXELLVLY-GUBZILKMSA-N	234.748	2.320	50	40	BEGB	
C[C@H](Cl)C(=O)C(C#N)=C1Nc2ccccc2N1	2649909	XKLDLVJCIVZXKF-ZETCQYMHSA-N	247.685	2.456	50	40	BEGB	
CN(C)P(=O)(c1ccccc1)c1ccccc1	1731050	KGHXVBWKESEXNO-UHFFFAOYSA-N	245.262	2.477	50	40	BEGB	
O=C(CCl)Oc1ccc(Cl)cc1	1586469	GEQGYTKAVRDKNR-UHFFFAOYSA-N	205.040	2.484	50	40	BEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccncc1	3850992	NRHBVYZNPLTUTD-UHFFFAOYSA-N	244.206	2.209	50	40	BEGB	biogenic
CCO[C@H]1[C@H](Cl)C(O)=NC(=O)N1CC(C)C	36618861	YYBTYPXOVTXJHL-APPZFPTMSA-N	248.710	2.005	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1cc(F)ccc1F	44022808	PCTUJNUYNARFAF-UXBLZVDNSA-N	248.232	2.174	50	40	BEGB	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	48688834	UPXFQIIHIXFGBS-XFXZXTDPSA-N	244.294	2.080	50	40	BEGB	
Cc1cnc([C@@H](C)Br)cn1	98089990	AUWMXLUDDAULCV-ZCFIWIBFSA-N	201.067	2.241	50	40	BEGB	in-vitro
Cc1cc(NC(=O)CCl)ccc1F	61118008	BYVJCTHTXAPDGO-UHFFFAOYSA-N	201.628	2.311	50	40	BEGB	
CCCC(=O)OC(=O)c1ccc(OC)c(F)c1	228916092	UXCOKTKTAXQKIJ-UHFFFAOYSA-N	240.230	2.318	50	40	BEGB	
COC[C@@H](NCCCl)c1ccccc1	1702157	UXNZOSSQWPEWLC-LLVKDONJSA-N	213.708	2.203	50	40	BEGB	
Cc1ccccc1C[C@H](C)NC(=O)CCl	37654253	IFOPZGCPCZOVRC-JTQLQIEISA-N	225.719	2.281	50	40	BEGB	in-vitro
Oc1ccc(CCl)nc1Br	71788950	ZUHKZAVBOLRYJV-UHFFFAOYSA-N	222.469	2.289	50	40	BEGB	
CN(C)/C=C(/C=O)c1ccc(Cl)cc1	168636	WYRALGSIFBXIIV-YFHOEESVSA-N	209.676	2.441	50	40	BEGB	
CC(C)c1ccc(-n2cccc2C(=O)NN)cc1	223734718	PNPZFQKSPXRYNI-UHFFFAOYSA-N	243.310	2.204	50	40	BEGB	
O=C1CCc2cc(OCCCl)ccc2N1	36883140	KIOSOBUPSAUORJ-UHFFFAOYSA-N	225.675	2.189	50	40	BEGB	in-vitro
O=C(N/N=C/c1cccc(F)c1)c1ccco1	231256	JATZQTZPLWVYLQ-RIYZIHGNSA-N	232.214	2.183	50	40	BEGB	
CCOC(=O)N/N=C(\C)c1ccc(C)cc1	4365445	FPPJBQOZKBLGJS-JLHYYAGUSA-N	220.272	2.465	50	40	BEGB	
CCCc1n[nH]c2c1[C@H](CCC)C(C#N)=C(N)O2	6529145	LCTPTGIUIWNNDO-MRVPVSSYSA-N	246.314	2.332	50	40	BEGB	
C[C@@H](CBr)NC(=O)OC(C)(C)C	95943595	OTOODTHBNJYOIV-LURJTMIESA-N	238.125	2.295	50	40	BEGB	in-vitro
O=C(Cl)C1CCC(C(=O)Cl)CC1	100057961	HXTYZWJVMWWWDK-UHFFFAOYSA-N	209.072	2.324	50	40	BEGB	
O=C(Cl)c1ccncc1Br	34101910	PPXQCWYKQHICRO-UHFFFAOYSA-N	220.453	2.223	50	40	BEGB	
OCCn1c(CCl)nc2cc(Cl)ccc21	20281995	FPBDSBPLKVZYGY-UHFFFAOYSA-N	245.109	2.421	50	40	BEGB	in-vitro
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Cl	36962950	NTCAEUMLAVILFR-IUCAKERBSA-N	241.718	2.500	50	40	BEGB	
Cc1cc(C)c(C#N)c(OCCCl)n1	43179047	KWFGHJYRUUMQOG-UHFFFAOYSA-N	210.664	2.188	50	40	BEGB	
COC(=O)[C@H](Cl)c1ccc(OC)cc1	50977987	CONABPXNCHINFM-SECBINFHSA-N	214.648	2.148	50	40	BEGB	
O=C1CCC(F)(F)C[C@@H]1Br	238665888	JDECVWOYTPHXMO-BYPYZUCNSA-N	213.021	2.138	50	40	BEGB	
CCC[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	520189	XDDRZPJDUKMPDK-MRVPVSSYSA-N	232.283	2.134	50	40	BEGB	
O=C=Nc1cncc(N2CCCCC2)c1	536953685	LEMVVKDSTSJSQG-UHFFFAOYSA-N	203.245	2.039	50	40	BEGB	
CCN(Cc1cccc(OC)c1)C(=O)CCl	79420748	DKRSNMJPCSSASZ-UHFFFAOYSA-N	241.718	2.283	50	40	BEGB	
CC(=O)N/N=C/c1ccc(N2CCCCC2)cc1	5606115	WQFRNMDWVQEDAI-RVDMUPIBSA-N	245.326	2.147	50	40	BEGB	
O=C(CCl)Nc1ccccc1-n1ccnc1	6668902	OUOFZDDLISJAMD-UHFFFAOYSA-N	235.674	2.050	50	40	BEGB	
Cc1cccc(C)c1-n1nnnc1CCl	36379839	JQSXZNDTNJEIBA-UHFFFAOYSA-N	222.679	2.018	50	40	BEGB	in-vitro
CSc1ccc(/C(C)=N\NC(N)=O)c(C)c1	17380354	LQSNXKBZOXTRJY-JYRVWZFOSA-N	237.328	2.109	50	40	BEGB	
COC(=O)N/N=C1/CCCCc2ccccc21	35772591	FUKKUIITNVPGFA-OWBHPGMISA-N	232.283	2.473	50	40	BEGB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Cl	38302536	MNPNBAKLSZRZBM-ZETCQYMHSA-N	233.695	2.151	50	40	BEGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2C[C@@H]1CC(=O)OC1=O	100494158	YARPWBYZMQQPAT-OUAUKWLOSA-N	234.295	2.459	50	40	BEGB	
CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C/C=N/NC(N)=O	102672993	KRGNEQSPPKUQAK-KTDCCSIHSA-N	223.320	2.103	50	40	BEGB	
C[C@H](Cl)C(=O)NCCc1ccc(F)cc1	3887363	WOWKFKLKYPRKOR-QMMMGPOBSA-N	229.682	2.112	50	40	BEGB	in-vitro
CCOC(=O)c1ccnc(CBr)c1	199565353	BGYNSJPCVQYWJL-UHFFFAOYSA-N	244.088	2.153	50	40	BEGB	
Cc1nc(C(=O)CBr)sc1C	140872435	IADAWXRUGCFACP-UHFFFAOYSA-N	234.118	2.338	50	40	BEGB	
ClC[C@H]1CO[C@@H](c2ccc3c(c2)OCO3)O1	1674898	GGVRTQFRYSUGCB-GZMMTYOYSA-N	242.658	2.068	50	40	BEGB	
O=C(NN=C1CCCCC1)c1ccccn1	5670051	WZVQDKVPVZUMDF-UHFFFAOYSA-N	217.272	2.132	50	40	BEGB	
CC1(C)OC[C@H](/C=C/CBr)O1	15809823	NPJBOTRZBRXWCV-SDLBARTOSA-N	221.094	2.089	50	40	BEGB	
ClCN1CCCn2c1nc1ccccc12	20534062	SSONLCTZDLVYQU-UHFFFAOYSA-N	221.691	2.443	50	40	BEGB	
COc1cccc(C(=O)NNC(C)(C)C)c1C	34541692	JPHNWUMYNZVUFT-UHFFFAOYSA-N	236.315	2.037	50	40	BEGB	in-vitro
CC(C)=NNC(=O)c1c(C)nc2ccc(C)cn12	59444060	FSWZBZCFYFGIII-UHFFFAOYSA-N	244.298	2.077	50	40	BEGB	
O=C(Cl)c1ccc(Cl)c(-n2cnnc2)c1	70461717	LROBNIFSOWEZOF-UHFFFAOYSA-N	242.065	2.300	50	40	BEGB	
Cc1ccc(/C=C(/C#N)C(=O)OC(C)C)o1	43662	KZHNJOMZLARQGE-POHAHGRESA-N	219.240	2.447	50	40	BEGB	
O=C(N/N=C/c1ccoc1)C1CCCCC1	12137752	CKPXAGZJNGNDCK-MDWZMJQESA-N	220.272	2.310	50	40	BEGB	
CCN(C(C)=O)c1nc(CCl)cs1	2619111	QAHGTFJTWCLCBX-UHFFFAOYSA-N	218.709	2.255	50	40	BEGB	in-vitro
C[C@H]1CCC[C@H](NC(=O)N(CCCl)N=O)C1	4933732	FFCHNDRHTRPWMU-IUCAKERBSA-N	247.726	2.497	50	40	BEGB	
Cc1ccc(C(=O)NNC(=O)CC(C)C)c(C)c1	8142565	DDDDQNRCZMMTDS-UHFFFAOYSA-N	248.326	2.111	50	40	BEGB	
Cc1cc(C(=O)N/N=C2\CCC[C@@H](C)C2)[nH]n1	13139758	JIPQXCSFBOAAMS-OATQHOELSA-N	234.303	2.014	50	40	BEGB	
O=C(CCl)N(Cc1cccs1)C1CC1	32015857	RKZRWNKEBVWBDW-UHFFFAOYSA-N	229.732	2.478	50	40	BEGB	in-vitro
O=C(CCl)NC[C@@H]1CCCc2ccccc21	57214330	HRGHFZDNNGVBRK-NSHDSACASA-N	237.730	2.462	50	40	BEGB	in-vitro
O=N[C@H]1[C@@H]2CC[C@H](C2)[C@H]1Br	104100230	MUSDPFOIXVESSK-GBNDHIKLSA-N	204.067	2.315	50	40	BEGB	
CC[C@@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	278687	HZNDBXQQYMISPZ-PELKAZGASA-N	246.310	2.380	50	40	BEGB	
O=C(O)[C@H]1CCCC[C@H]1Br	1621876	NDMRQGSTDXPLEP-NTSWFWBYSA-N	207.067	2.025	50	40	BEGB	
Cc1ccc(OCC(=O)N=C=S)cc1	70461482	ZMIMQIMXYILODO-UHFFFAOYSA-N	207.254	2.003	50	40	BEGB	
Br[C@@H]1CCCO[C@@H]1Br	100076523	MQJVXKXCTDBRER-UHNVWZDZSA-N	243.926	2.281	50	40	BEGB	
CC/C(O)=C(/C#N)c1nnc2n1CCCCC2	100381921	IUDCNAWTVIASTO-MDZDMXLPSA-N	232.287	2.207	50	40	BEGB	
N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(N)=O	408754808	SBJONTUFAWKACX-MDWZMJQESA-N	248.285	2.331	50	40	BEGB	
O=C=N[C@H]1CCC[C@@H]1OCc1ccccc1	2548047	OBCLNTYESQZKFV-STQMWFEESA-N	217.268	2.460	50	40	BEGB	
N#CC(C#N)=C(C(F)(F)F)C(F)(F)F	2565736	PFXBZIOMDHRUQQ-UHFFFAOYSA-N	214.068	2.455	50	40	BEGB	
C[C@@H](Cl)c1nc(-c2cccnc2)no1	9458155	WLYCMJSCVOQDLT-ZCFIWIBFSA-N	209.636	2.431	50	40	BEGB	
N#C/C(=C/c1ccccc1)C1=NC(=O)CS1	225673224	FMFRURNEAFJAPO-POHAHGRESA-N	228.276	2.265	50	40	BEGB	
Br[C@H]1CCCO[C@H]1Br	100076511	MQJVXKXCTDBRER-CRCLSJGQSA-N	243.926	2.281	50	40	BEGB	
Cc1cc(C(=O)N=C=S)ccc1[N+](=O)[O-]	2655579	XHBPLQGHSXRCGT-UHFFFAOYSA-N	222.225	2.146	50	40	BEGB	
Br[C@H]1CC[C@@H]2CNCC[C@@H]2C1	15022496	QSYBGLAAGQLQGI-HLTSFMKQSA-N	218.138	2.160	50	40	BEGB	
CN(C(=O)CCl)c1nc2ccccc2s1	68583542	DKHPUSRJYYCQLY-UHFFFAOYSA-N	240.715	2.498	50	40	BEGB	in-vitro
Cl[C@H]1[C@@H]2C[C@H]([C@H]3C[C@H]4O[C@@H]4[C@@H]32)[C@H]1Cl	104261618	UVOJEOIBCUNYLY-IWQKOTHZSA-N	219.111	2.254	50	40	BEGB	
O=C(OCCCCCl)[C@@H]1CC[C@H]2O[C@@H]2C1	100929335	IZIFHUQKQJUOBQ-OPRDCNLKSA-N	232.707	2.116	50	40	BEGB	
CC(=O)Nc1ccc(C(=O)CCl)c(F)c1	3415924	RAJWOIQWWWLQQJ-UHFFFAOYSA-N	229.638	2.206	50	40	BEGB	
COC(=O)NN=C1C2CC3CC(C2)CC1C3	6126158	IXGIANOJCUJGLP-UHFFFAOYSA-N	222.288	2.155	50	40	BEGB	
O=C(N/N=C1\C[C@H]2C=CC[C@H]12)c1cccc(O)c1	8408609	QVYCFPYBEOXJCY-MCMKARFMSA-N	242.278	2.074	50	40	BEGB	
CCOCc1ccccc1CNC(=O)CCl	37654158	HRJBLDGMVUOXTJ-UHFFFAOYSA-N	241.718	2.078	50	40	BEGB	in-vitro
CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2	59436946	PJOSXPUIXWXQRX-CXUHLZMHSA-N	238.290	2.408	50	40	BEGB	
N#Cc1ccc(C(=O)CBr)cc1F	85344514	NTNWXIJWVFBDOF-UHFFFAOYSA-N	242.047	2.275	50	40	BEGB	
Cc1cc(C(F)(F)F)n(CCCl)n1	95098458	NCVIZIYVNLANMY-UHFFFAOYSA-N	212.602	2.449	50	40	BEGB	
COc1c(F)cc(C(=O)Cl)c(F)c1F	97437852	XWXDONPJASVERE-UHFFFAOYSA-N	224.565	2.492	50	40	BEGB	
O=N[C@H]1[C@H]2CC[C@H](C2)[C@H]1Br	5031328	MUSDPFOIXVESSK-UCROKIRRSA-N	204.067	2.315	50	40	BEGB	
O=C(CF)N[C@H](Cl)C(Cl)(Cl)Cl	5516682	DZKPNOCALQUSLE-VKHMYHEASA-N	242.892	2.007	50	40	BEGB	
C=CCOc1cccc(NC(=O)CCl)c1	13609032	QMZVJOYSNBZVLD-UHFFFAOYSA-N	225.675	2.429	50	40	BEGB	
CC(=O)Oc1ccc(Cl)cc1/C=C\C=O	17426913	CSUFXMZCPYMCLR-IHWYPQMZSA-N	224.643	2.477	50	40	BEGB	
N#CC(C#N)=C1CC[C@H]2C(=C(C#N)C#N)CC[C@H]12	73352209	ABHNJQPWUGYABV-OKILXGFUSA-N	234.262	2.494	50	40	BEGB	
[C-]#[N+][C@H](Cc1ccc(Cl)cc1)C(=O)OC	95698037	XIXDXCNDQCGKDG-SNVBAGLBSA-N	223.659	2.343	50	40	BEGB	
Cl[C@@H]1O[C@H](Cl)[C@H](Cl)O[C@@H]1Cl	100368585	YLVGPWIKMNWIOD-DUHBMQHGSA-N	225.886	2.293	50	40	BEGB	
CC(C)N1C(=O)C(=C(C#N)C#N)c2ccccc21	59145840	WASOQUOYFOKSLR-UHFFFAOYSA-N	237.262	2.242	50	40	BEGB	
Cc1cccc(NC(=O)NNC(=O)C(C)(C)C)c1	32935941	RBQMCTCUMCUAJG-UHFFFAOYSA-N	249.314	2.194	50	40	BEGB	
CC1(C)[C@@H]2CC=C(C[C@@H]3CC(=O)OC3=O)[C@H]1C2	100494155	YARPWBYZMQQPAT-GMTAPVOTSA-N	234.295	2.459	50	40	BEGB	
O=C(N/N=C/C=C\c1ccco1)c1ccccn1	4680555	HANYBAJJUQPCHB-WURXWAMFSA-N	241.250	2.104	50	40	BEGB	
CCOC(=O)COc1cccc(C(=O)Cl)c1	70461264	NPVQUAOUQYSWRZ-UHFFFAOYSA-N	242.658	2.008	50	40	BEGB	
O=C(CBr)Cc1ccccc1F	84199238	WARDSKDZNJWRBX-UHFFFAOYSA-N	231.064	2.332	50	40	BEGB	
O=C(NCCCl)NC1CCCCCC1	4896761	BKCHWJUBSGHNQU-UHFFFAOYSA-N	218.728	2.247	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1cccc(F)c1	12504891	VJXUKJYCXBVIJL-ZCFIWIBFSA-N	201.628	2.392	50	40	BEGB	in-vitro
COc1ccc(C(C)=O)cc1NC(=O)CCl	15423223	IUKZYCTXNSNXBQ-UHFFFAOYSA-N	241.674	2.075	50	40	BEGB	
O=C=Nc1ccc2c(c1)O[C@H](F)C(F)(F)O2	39303662	SRKCEJKPHAKVCQ-QMMMGPOBSA-N	231.129	2.314	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1cccnc1	225697735	VHKDIJVGHHZMCU-LGDAHILYSA-N	241.294	2.009	50	40	BEGB	
COc1ccc(NC(=O)CCl)c(C)c1	5697825	ZDXJEEOVSUUEIR-UHFFFAOYSA-N	213.664	2.181	50	40	BEGB	
O=C(CCl)N1CCC[C@@H]2CCCC[C@@H]21	7978617	RDTNIAJMHHVOCO-UWVGGRQHSA-N	215.724	2.406	50	40	BEGB	in-vitro
O=C1c2c(F)cccc2O[C@@H]1Br	103571452	HTIAYVZCJFGJTE-QMMMGPOBSA-N	231.020	2.122	50	40	BEGB	in-vitro
CC1(C)OC[C@H](/C=C\CBr)O1	136284093	NPJBOTRZBRXWCV-AVALRIAPSA-N	221.094	2.089	50	40	BEGB	
Cc1nc(C=C(C#N)C#N)c2ccccn12	225745490	FTHBVXGXMQDNDL-UHFFFAOYSA-N	208.224	2.073	50	40	BEGB	
C[C@@H]1C[C@@H]2O[C@]2(C)C[C@@H]1[C@@H]1OC[C@@H](CCl)O1	254611159	RWLBJPNYLMZBCM-PQTSNVLCSA-N	246.734	2.170	50	40	BEGB	
Cc1ccc(C(=O)NCCCl)cc1C	1621661	BHIXUJAVQJKHLA-UHFFFAOYSA-N	211.692	2.272	50	40	BEGB	
Oc1ccc(CCBr)cc1O	39097919	ICZKFCKXUJBJNA-UHFFFAOYSA-N	217.062	2.035	50	40	BEGB	
O=C1N[C@H](c2cccc(Cl)c2Cl)C(=O)O1	1772714980	NBHBOWAOICCNNM-SSDOTTSWSA-N	246.049	2.301	50	40	BEGB	
CCC/C(=N/NC(C)=O)c1ccccc1	4402043	VLPGZPLHULIOOG-OWBHPGMISA-N	204.273	2.327	50	40	BEGB	
NNC(=O)c1cc2ccc(Cl)cc2s1	22995858	PBXBFDUSQOVCGK-UHFFFAOYSA-N	226.688	2.158	50	40	BEGB	
O=C1C[C@H](C/C=C/c2ccccc2)C(=O)O1	100052236	PMGSFRAJPLOXHM-ZPMKCOPCSA-N	216.236	2.180	50	40	BEGB	
COc1ccc([C@@H](O)CBr)cc1	34265213	JJLBVKRIOOBGPP-VIFPVBQESA-N	231.089	2.124	50	40	BEGB	in-vitro
COC(=O)/C(C#N)=C/c1cc(F)ccc1F	40139516	XQWSGLDBNUYMPC-XBXARRHUSA-N	223.178	2.045	50	40	BEGB	
CCOC[C@@H](Br)C(F)(F)F	82863627	ORNPEVXNPHXVGT-SCSAIBSYSA-N	221.016	2.349	50	40	BEGB	
O=C(NCCCl)c1ccc(Cl)cc1	1665475	MDUXCQKPDCOYJQ-UHFFFAOYSA-N	218.083	2.309	50	40	BEGB	
CC(C)=NNC(=O)[C@@H]1CC=C[C@H]1C(Cl)Cl	5181171	BCYYMWKWWPQFPX-HTQZYQBOSA-N	249.141	2.494	50	40	BEGB	
CC(C)(CNC(=O)CCl)c1ccccc1	34426607	QNHRMRADUBMJRG-UHFFFAOYSA-N	225.719	2.319	50	40	BEGB	in-vitro
Cc1cnc([C@H](C)Br)cn1	98089991	AUWMXLUDDAULCV-LURJTMIESA-N	201.067	2.241	50	40	BEGB	in-vitro
CC(C)C/C=N/NC(=O)Cc1ccccc1	4910853	KYDSUAMFXDPOSQ-NTEUORMPSA-N	218.300	2.377	50	40	BEGB	
O=c1ccc2ccc(CBr)cc2[nH]1	95911140	NPPQMWDUGLZUCD-UHFFFAOYSA-N	238.084	2.423	50	40	BEGB	
C=C[Si](OCC)(OCC)c1ccccc1	196251248	URZLRFGTFVPFDW-UHFFFAOYSA-N	222.360	2.134	50	40	BEGB	
CC(=O)NCc1ccc(C(=O)[C@H](C)Cl)s1	4218933	KJXLARRXWVTLGH-LURJTMIESA-N	245.731	2.194	50	40	BEGB	
C/C(CCc1cccc(Cl)c1)=N/NC(N)=O	4919213	HCRPYSXEDHXRLY-ZSOIEALJSA-N	239.706	2.317	50	40	BEGB	
O=N[C@H]1[C@@H](Br)[C@@H]2C=C[C@H]1C2	5031311	CCBBPMCQJUZJQU-JRTVQGFMSA-N	202.051	2.091	50	40	BEGB	
CC(C)(C)OC(=O)N1CCC(C(=O)Cl)CC1	38999269	LUKQTNVNMALRMG-UHFFFAOYSA-N	247.722	2.399	50	40	BEGB	
Br[C@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12	103911346	PAQFAVIIPCLMHD-KUVLIMKZSA-N	229.117	2.193	50	40	BEGB	
Cc1ccccc1/C=N/NC(=O)c1ccccn1	232325	JUUPLBULFXMZDF-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
COc1ccc2c(c1)cc(CCl)c(=O)n2C	3882766	QUURDNKNDBVDHD-UHFFFAOYSA-N	237.686	2.286	50	40	BEGB	
CC(=O)N/N=C(\C)CCc1ccccc1	5282424	LZLUEPLKFJZDSS-JLHYYAGUSA-N	204.273	2.131	50	40	BEGB	
O=C(CCl)c1ncc(F)cc1Cl	91692941	WHBNPMSLVPKDKJ-UHFFFAOYSA-N	208.019	2.296	50	40	BEGB	
O=[S@](OO)c1cc(Cl)c(O)c(Cl)c1	104045250	ZQZBKKDZKWZCGX-ZDUSSCGKSA-N	243.067	2.211	50	40	BEGB	
CCOC[C@@H](Cl)C(OCC)OCC	2044756	WEGSOVKZMZPKLO-MRVPVSSYSA-N	210.701	2.029	50	40	BEGB	
C[C@@H]1C[C@@H]2C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)OC3=O	104097622	JMFUYHHFTOVIJZ-WBPNIITGSA-N	222.284	2.148	50	40	BEGB	
CC(C)(C)c1ccc(C[C@@H]2NC(=O)OC2=O)cc1	1772714986	NLCLZUMYZOZCAB-NSHDSACASA-N	247.294	2.162	50	40	BEGB	
Cc1ccccc1C(=O)N/N=C/c1cccnc1	482865	DVLPJPBDSZBENL-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
O=C(Cl)Cc1cc(F)c(F)c(F)c1	59085895	LOSDDEPYAXHXSA-UHFFFAOYSA-N	208.566	2.412	50	40	BEGB	in-vitro
Fc1ccc(-c2nc(CCl)n[nH]2)cc1	85385528	ITVJIUVUZZDSGI-UHFFFAOYSA-N	211.627	2.350	50	40	BEGB	
CCOC(=O)/C(O)=C(/C#N)c1ccc(C)cc1	104056327	MKPAMZCNQXGBQF-VAWYXSNFSA-N	231.251	2.351	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3887332	ZIXQXLMDSBTRAE-RXMQYKEDSA-N	246.625	2.300	50	40	BEGB	
CC(C)(C)C(=O)/C(C#N)=C/N1CCCCC1	29764128	BKPMJCNQGZIVMG-ZHACJKMWSA-N	220.316	2.495	50	40	BEGB	
CC(C)(C)NC(=O)/C(C#N)=C\c1ccco1	5632405	UGSQFGDBTKHNKL-CLFYSBASSA-N	218.256	2.101	50	40	BEGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc(Cl)cc1	112778	FKKSWBBZJQVWNP-OVCLIPMQSA-N	247.685	2.432	50	40	BEGB	
CCC(=O)Nc1ccc(C(=O)CCl)cc1	3886328	HZHWAGTXPKRYLN-UHFFFAOYSA-N	225.675	2.457	50	40	BEGB	in-vitro
COC(=O)/C(C#N)=C\c1ccccc1Cl	5981597	MBUUIEJTXSMODJ-TWGQIWQCSA-N	221.643	2.420	50	40	BEGB	
Clc1ccc(N2CCC[C@@H](Cl)C2)nn1	72202879	CAKBDTRGSAJUFZ-SSDOTTSWSA-N	232.114	2.338	50	40	BEGB	
CC(C)(C)[Si](C)(C)OCC1(CO)COC1	953118786	NDCDMTFOLCEMMP-UHFFFAOYSA-N	232.396	2.017	50	40	BEGB	
Cc1ccc2c(c1)C=C(CO)[C@@H](Cl)N2	4125274	LVZRLMWXCJJDBO-NSHDSACASA-N	209.676	2.361	50	40	BEGB	
Cc1sc2nc(CCl)cc(=O)n2c1C	19737261	HLZAYTBCQHKUMI-UHFFFAOYSA-N	228.704	2.112	50	40	BEGB	
N#Cc1ccccc1CCBr	80776458	IYZRKPDDKSEWCW-UHFFFAOYSA-N	210.074	2.496	50	40	BEGB	
C[Si](C)(C)ONC(=O)c1ccccc1	195752100	APKJKSGLTUUOKI-UHFFFAOYSA-N	209.321	2.183	50	40	BEGB	
Cc1csc2nc(CCl)[nH]c(=O)c12	160127	NPCDJJHBOSYDKS-UHFFFAOYSA-N	214.677	2.032	50	40	BEGB	in-vitro
C/C=C/CC/C(=N/NC(N)=O)c1ccccc1	5412856	SPVDEMVQYOTTCF-MJIZBIMRSA-N	231.299	2.415	50	40	BEGB	
COC(=O)N/N=C/C=C/c1ccccc1OC	6674884	KARNKNXYTFJQAF-WWFUZLPXSA-N	234.255	2.050	50	40	BEGB	
CCCCCCOCCOC[C@H](O)CCl	16638212	FDRFIFCBNXDSBI-LLVKDONJSA-N	238.755	2.200	50	40	BEGB	
O=P(Cl)(Cl)Nc1ncccn1	79185703	RHOZCTLAXOLYNT-UHFFFAOYSA-N	211.976	2.474	50	40	BEGB	
C[Si](C)(C)OCCI	195779616	AVGMHASBPFMICW-UHFFFAOYSA-N	244.148	2.273	50	40	BEGB	
CCn1cc(CBr)c(C)n1	256052836	OWEQHONERCXQIN-UHFFFAOYSA-N	203.083	2.106	50	40	BEGB	
O=C(OCCCl)C(Cl)(Cl)Cl	1602463	LZAFIYKPGDSKLN-UHFFFAOYSA-N	225.886	2.139	50	40	BEGB	
Cc1cccc2c3c(ccc12)C(=O)OC3=O	104292821	KQGXLANNQRYZRL-UHFFFAOYSA-N	212.204	2.459	50	40	BEGB	
CC(=O)OC[Si](C)(C)O[Si](C)(C)C	195760950	HFYYYNQKHRUKTQ-UHFFFAOYSA-N	220.417	2.145	50	40	BEGB	
Cc1csc(/C(C#N)=C/c2cnn(C)c2)n1	9254120	XTARFAOATLZUAR-XCVCLJGOSA-N	230.296	2.249	50	40	BEGB	
O=c1[nH]c2ccccc2cc1CCCl	32210338	FRSWOZBJRPYVQX-UHFFFAOYSA-N	207.660	2.309	50	40	BEGB	
COc1ccc(/C=N/NC(C)=O)c2ccccc12	43911085	UFHRPQJTRLOYSM-OQLLNIDSSA-N	242.278	2.318	50	40	BEGB	
O=C(F)C(F)(F)C(F)(F)OC(F)(F)F	95902716	ZAKJNULOUJTZMO-UHFFFAOYSA-N	232.026	2.247	50	40	BEGB	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C/C=N/NC(N)=O	100700965	KRGNEQSPPKUQAK-SQLAILRLSA-N	223.320	2.103	50	40	BEGB	
O=C(NNCc1ccccc1)c1cccs1	6927401	HOPSBYLJBJKUGG-UHFFFAOYSA-N	232.308	2.183	50	40	BEGB	
O=C1O[C@H](Cl)c2cn(-c3ccccc3)nc21	96306026	SEEVVLMWXXFEIQ-JTQLQIEISA-N	234.642	2.280	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2cccs2)o1	33594917	DPJYZITZTOYYEP-GHXNOFRVSA-N	234.280	2.413	50	40	BEGB	
CC(C)n1nc([N+](=O)[O-])cc1CCl	72209567	WAXOOMXBJKAFNP-UHFFFAOYSA-N	203.629	2.111	50	40	BEGB	
NC(=O)N/N=C1/C=C[C@]2(CC=CCC2)CC1	5431090	NHBCPECHRVEKFI-XTCQQWIJSA-N	219.288	2.087	50	40	BEGB	
C/C(=N/NC(=O)c1ccccc1)c1ccccn1	33339442	CNLUCMLHJNZXRT-WJDWOHSUSA-N	239.278	2.236	50	40	BEGB	
O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]12	101313803	QVZKCYULUXLGPJ-MLGHIDQZSA-N	242.274	2.126	50	40	BEGB	
O[C@H]1CC[C@H]2C[C@H](CBr)[C@@H]1C2	4280471	ZGZKEENVMYNWHQ-KZVJFYERSA-N	219.122	2.178	50	40	BEGB	
COCCOc1ccc(CCl)cc1	20547673	DQMYLEMHUHXUEZ-UHFFFAOYSA-N	200.665	2.451	50	40	BEGB	
O=C(Cl)c1cccnc1Br	90413393	ZSROXVDSDSXWFG-UHFFFAOYSA-N	220.453	2.223	50	40	BEGB	
CC(=O)OCCC[C@@H](F)CBr	98174937	DAFIOMALIPMMQR-SSDOTTSWSA-N	227.073	2.063	50	40	BEGB	
O=C(O)Cc1ccc(CBr)c(F)c1	169796664	CYRWHOXHWXBKHH-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
COc1ccc(/N=N\N(C)C(C)=O)cc1	100405413	ALJQINSLSYSISP-QXMHVHEDSA-N	207.233	2.172	50	40	BEGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(C)cc1	14796366	KDMYZZUPYLVGAF-PKNBQFBNSA-N	230.267	2.378	50	40	BEGB	in-vitro
C=CCCCC[Si](OC)(OC)OC	195769140	CGQIJXYITMTOBI-UHFFFAOYSA-N	204.342	2.221	50	40	BEGB	
CCOC(=O)/C(C#N)=C\Nc1cccc(OC)c1	100264313	BNWWHTUGTJFIFN-KTKRTIGZSA-N	246.266	2.078	50	40	BEGB	
Fc1ccnc(F)c1CBr	238573650	CNGKCGHGMUXDOA-UHFFFAOYSA-N	208.005	2.255	50	40	BEGB	
NC(=O)NN=C1CCC(c2ccccc2)CC1	6574940	BEECLOZYVDKEQF-UHFFFAOYSA-N	231.299	2.369	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccc(OC)c(OC)c1	50977853	VAYHAKCXKBZSKL-JTQLQIEISA-N	244.674	2.157	50	40	BEGB	
CCSc1ccc(C)c2c1C(=O)OC2=O	95719256	JIJWAERRNISYFV-UHFFFAOYSA-N	222.265	2.418	50	40	BEGB	
Cc1ccc(-n2cccc2C(=O)NN)cc1Cl	223726393	MIVNZOUPMAITQD-UHFFFAOYSA-N	249.701	2.043	50	40	BEGB	
O=C(C[C@H]1CCCC[C@H]1O)NNc1ccccc1	1716486	QXHSBZRUGINJTA-DGCLKSJQSA-N	248.326	2.071	50	40	BEGB	
O=C(Cc1ccccc1)N/N=C1/C[C@H]2C=CC[C@@H]12	4145024	OXZYKAOFDHUCHH-ZJWOPCONSA-N	240.306	2.297	50	40	BEGB	
N#Cc1c(CCl)c(C=O)n2ccccc12	20281758	RCBBLRGXZYSRGP-UHFFFAOYSA-N	218.643	2.362	50	40	BEGB	in-vitro
COC(=O)/C(C#N)=C/Sc1ccccc1	1613333	NFGPKJVAFPFIKP-CMDGGOBGSA-N	219.265	2.359	50	40	BEGB	
O=C1COc2cc(OCCCCl)ccc21	2576619	HUQBKGMQOOKCMY-UHFFFAOYSA-N	226.659	2.269	50	40	BEGB	
COC(=O)c1ccc(OCCCl)cc1	4520125	SRSRGGYRIOZFAT-UHFFFAOYSA-N	214.648	2.091	50	40	BEGB	
O=NN(CCCl)C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2	4901028	VGFFLHYAQABHTR-YIZRAAEISA-N	245.710	2.107	50	40	BEGB	
O=C(CCl)N1CCc2[nH]c3ccccc3c2C1	32626903	ACUYDSXGSCBUJP-UHFFFAOYSA-N	248.713	2.291	50	40	BEGB	in-vitro
CC(=O)NN(c1ccccc1)C(C)(C)C	36533219	HDUCLRWIXMYNKV-UHFFFAOYSA-N	206.289	2.343	50	40	BEGB	
CO[C@]1(C)CCC(Br)=C(C=O)C1	675082110	BKFJRBVJKWOTQD-SECBINFHSA-N	233.105	2.423	50	40	BEGB	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C/C=N/NC(N)=O	100700964	KRGNEQSPPKUQAK-JVQRSGHZSA-N	223.320	2.103	50	40	BEGB	
COc1ccccc1-c1nnc(CCl)o1	8731352	ZRTPAZHFKPJFHG-UHFFFAOYSA-N	224.647	2.484	50	40	BEGB	in-vitro
O=C(N/N=C1\C[C@@H]2C=CC[C@H]12)c1cccc(O)c1	8408610	QVYCFPYBEOXJCY-LUTBFBCPSA-N	242.278	2.074	50	40	BEGB	
Cc1ccoc1/C=N/NC(=O)Cc1ccccc1	28464	YNGZLERLGNGUNW-XNTDXEJSSA-N	242.278	2.281	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1cccc(C)c1	1625094	BVWIYLDDGGMWEJ-XYOKQWHBSA-N	215.252	2.465	50	40	BEGB	
CCOC(=O)N/N=C(/C)c1ccc(C)cc1	5181148	FPPJBQOZKBLGJS-RAXLEYEMSA-N	220.272	2.465	50	40	BEGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)C1CC1	3379535	VHNPRLNOXUBONV-OVCLIPMQSA-N	241.294	2.336	50	40	BEGB	
ClCCC[C@@H](Cl)CNCCCl	5829264	GKZVKWNPKXQTRR-SSDOTTSWSA-N	218.555	2.441	50	40	BEGB	
C[C@H](Cl)c1nc(N)nc(Nc2ccccc2)n1	7986284	HSOZFTGYXPQTLE-ZETCQYMHSA-N	249.705	2.497	50	40	BEGB	
CC(C)c1ccc(/C=C(\C#N)C(N)=O)cc1	12403068	STAHPAJGOXCHLT-KPKJPENVSA-N	214.268	2.202	50	40	BEGB	
CCOC(=O)c1nc(CCl)cs1	32627228	JSYOQGQNLKDSGQ-UHFFFAOYSA-N	205.666	2.059	50	40	BEGB	in-vitro
COc1cc(Cl)cc(/C=C/C=O)c1O	40544990	BQUSFOSUYQHVGI-NSCUHMNNSA-N	212.632	2.266	50	40	BEGB	
O=S1(=O)C[C@@]23CC=CC[C@@]2(CC3)[C@H]1Cl	45069387	PGYMHWHBBBQCOG-LPEHRKFASA-N	232.732	2.096	50	40	BEGB	
CC(=O)c1sccc1NC(=O)CCl	2577772	WIOQWQZEDZOZNE-UHFFFAOYSA-N	217.677	2.128	50	40	BEGB	
Cc1cc(C(=O)N/N=C2\CCC[C@H](C)C2)[nH]n1	13139760	JIPQXCSFBOAAMS-NGHKRQAXSA-N	234.303	2.014	50	40	BEGB	
CNc1ccc(C(=O)Cl)cc1[N+](=O)[O-]	22011555	LIRZLGQEZXAOQR-UHFFFAOYSA-N	214.608	2.016	50	40	BEGB	in-vitro
COc1ccc(OC)c(CCN=C=S)c1	2574327	QYVVYOAJVPHNPR-UHFFFAOYSA-N	223.297	2.349	50	40	BEGB	in-vitro
CC(C)=NNC(=O)Cn1ccc2ccccc21	4663023	FQJUVRYWZUYVKV-UHFFFAOYSA-N	229.283	2.153	50	40	BEGB	
CC(/C=C(/C#N)C(N)=O)=C\c1ccccc1	16136527	OWRPWVGVNQKDTI-NFZZJPOKSA-N	212.252	2.025	50	40	BEGB	
C/C(Cc1cccc2ccccc12)=N/NC(N)=O	17162496	FTCXFIYHROOREY-YBEGLDIGSA-N	241.294	2.427	50	40	BEGB	
C/C(=N/NC(N)=O)c1cccc2ccccc12	48051	BJGJUPAEKVEHJQ-DHDCSXOGSA-N	227.267	2.232	50	40	BEGB	
CC1CCC(N(C)C(=O)CCl)CC1	4205744	AUZBNTUEPYUUHV-UHFFFAOYSA-N	203.713	2.262	50	40	BEGB	in-vitro
ClCc1nnc(COc2ccccc2)o1	20135819	DFHPTHRKIDXOSH-UHFFFAOYSA-N	224.647	2.387	50	40	BEGB	
CC(C)N(Cc1ccncc1)C(=O)CCl	79421787	WXVPKMAAWSEKES-UHFFFAOYSA-N	226.707	2.057	50	40	BEGB	
O=C(Cl)c1cc(Br)cnc1F	90411478	PGGDVNPCOYRXRM-UHFFFAOYSA-N	238.443	2.362	50	40	BEGB	
N#C/C(=C\c1ccccc1C(F)(F)F)C(N)=O	2750787	QGDXQOLUKYJKIQ-VMPITWQZSA-N	240.184	2.098	50	40	BEGB	
Cc1cc(N/C=C(/C#N)C(=O)C(C)(C)C)no1	5362475	GREAYWSXWZITNN-CLFYSBASSA-N	233.271	2.418	50	40	BEGB	
O=C1OC(=O)[C@@H]2[C@@H](c3ccccc3)C=CC[C@@H]12	100083285	SISNVYGRWPGDFF-IJLUTSLNSA-N	228.247	2.046	50	40	BEGB	
CCCCCCCNC(=O)CBr	1706710	IKIDKUUEELNQKF-UHFFFAOYSA-N	236.153	2.468	50	40	BEGB	
Cn1cccc1C(=O)/C(C#N)=C/c1cccnc1	4050456	VFRLRFMKCXOLDX-XYOKQWHBSA-N	237.262	2.210	50	40	BEGB	
CCOC(=O)[C@@H](Br)CC(F)(F)F	19736837	POVYUFTVLGOXEE-BYPYZUCNSA-N	249.026	2.265	50	40	BEGB	
O=C(Cl)c1cc(Cl)nc(CCl)n1	85390744	AGPDCUQOODXSRO-UHFFFAOYSA-N	225.462	2.248	50	40	BEGB	
CCN(C)C(=O)Oc1ccc([N+](=O)[O-])cc1	72399820	FDXHDTIKCTZVEG-UHFFFAOYSA-N	224.216	2.045	50	40	BEGB	in-vitro
O=C(CCl)N(CC1CC1)c1ccc(O)cc1	199758166	HZLNFNINQLUGQV-UHFFFAOYSA-N	239.702	2.374	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2cccnc2)cc1	493654	LAVWLZNEHGTUGV-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
Cc1ccccc1[C@@H](C)NC(=O)CCl	3394962	NHFCHQWSQVZWAD-SECBINFHSA-N	211.692	2.411	50	40	BEGB	
O=C/C=C/C=C/C=C/C=C/N1CCCC1	253387390	YCCDCQQFCGVYMW-LMRAIMILSA-N	203.285	2.463	50	40	BEGB	
C=CCC/C=N/NC(=O)c1ccccc1O	4359696	JQVLGFUHGFVITJ-UKTHLTGXSA-N	218.256	2.074	50	40	BEGB	
COc1cccc(/C=N/NC(=O)CC(C)C)c1	5384116	ZCMHVICYCLVBJI-NTEUORMPSA-N	234.299	2.191	50	40	BEGB	
N#Cc1ncc(C(Cl)Cl)nc1Cl	1659965	GYBZCEWRLOKTNT-UHFFFAOYSA-N	222.462	2.478	50	40	BEGB	
COc1cccc(/C=C(/C#N)C(=O)NC(C)C)c1	40889260	ILURAOXBKDPGKB-GHXNOFRVSA-N	244.294	2.127	50	40	BEGB	
C[C@@H]1CC(C)(C)C[C@]2(CC(=O)OC2=O)C1	100915476	XQGJAQBFNIXTGN-PRHODGIISA-N	210.273	2.293	50	40	BEGB	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CCl	3280881	ZRAOZMOUBXPYMW-UHFFFAOYSA-N	243.690	2.230	50	40	BEGB	in-vitro
CC(C)NC(=O)/C(C#N)=C/c1ccccc1	5522546	XAEMKGSDBJLXPE-XYOKQWHBSA-N	214.268	2.118	50	40	BEGB	
Cc1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1	22124425	DTRFHZCFUCGHRH-VIFPVBQESA-N	237.686	2.113	50	40	BEGB	
C[C@H](Br)C(=O)c1ccccn1	39055612	YUHLUAKEWIXBCM-LURJTMIESA-N	214.062	2.048	50	40	BEGB	
FC(F)(F)C1(C(Cl)Cl)OCCO1	100045425	VLPVPBMLRSRLIZ-UHFFFAOYSA-N	224.993	2.096	50	40	BEGB	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(N)=O	134346	TZMNZJHTWBMJAV-FLIBITNWSA-N	238.246	2.339	50	40	BEGB	
CN(Cc1ccc(F)cc1)C(=O)CCl	3454556	UGYMXLZKMOKDSN-UHFFFAOYSA-N	215.655	2.023	50	40	BEGB	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Cl)C1	6566691	PBIMBCFTHLZFNG-IWSPIJDZSA-N	203.713	2.118	50	40	BEGB	
Cc1cccc(OCCNC(=O)[C@@H](C)Cl)c1	38338669	OGFFRLJBTDEZCG-SNVBAGLBSA-N	241.718	2.117	50	40	BEGB	in-vitro
C[C@H](C(=O)Cl)c1cccc([N+](=O)[O-])c1	98213494	FOZBKTAVTFTHSE-LURJTMIESA-N	213.620	2.464	50	40	BEGB	
O=[P@@](O)(CCl)COc1ccccc1O	2770494	GTONBBXDGARSNM-UHFFFAOYSA-N	236.591	2.195	50	40	BEGB	
COc1ccccc1-c1noc(CCl)n1	3457163	UUSBJMCXWHXFAX-UHFFFAOYSA-N	224.647	2.484	50	40	BEGB	in-vitro
CN(C)C[C@H]1CCCC[C@@H](Br)C1=O	5119325	DJSDSZLTDWYGFJ-RKDXNWHRSA-N	248.164	2.071	50	40	BEGB	
O=C(N/N=C/c1ccccc1O)C1CCCC1	20494474	YQNPZCAGRKIAFG-NTEUORMPSA-N	232.283	2.033	50	40	BEGB	
CC(C)NC(=O)[C@@H](Cl)c1ccccc1	32627584	URUGPBYXLQPSDQ-JTQLQIEISA-N	211.692	2.491	50	40	BEGB	in-vitro
COc1ccccc1/C=C(/C#N)C(=O)NC(C)C	33362197	AEAWOIZFFUNVAC-WQLSENKSSA-N	244.294	2.127	50	40	BEGB	
CCN(Cc1ccccc1F)C(=O)CCl	79420475	SVYUAZAZNMFRPL-UHFFFAOYSA-N	229.682	2.413	50	40	BEGB	
N#Cc1cccc(CN(C(=O)CCl)C2CC2)c1	79420803	ITIQRNBWZXSNKH-UHFFFAOYSA-N	248.713	2.288	50	40	BEGB	
NC(=O)C1=C(CCCCl)c2ccccc2C1=O	1725936	WNZYGVKLVNBEAW-UHFFFAOYSA-N	249.697	2.141	50	40	BEGB	
CC[C@@]1(c2ccc(C)cc2)CC(=O)OC1=O	59093820	SOQAYLWCCUWIFB-ZDUSSCGKSA-N	218.252	2.116	50	40	BEGB	in-vitro
Nc1ncc(C(F)(F)F)cc1CCl	95761865	ZACNMXIYBURRFX-UHFFFAOYSA-N	210.586	2.421	50	40	BEGB	
C[C@H](NC(=O)CCl)[C@@H]1C[C@@H]2CC[C@@H]1C2	100093519	LARFYGYUBWEGFA-JLIMGVALSA-N	215.724	2.166	50	40	BEGB	
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C1CC1	4587762	VJLPOKQVBYRTDD-MDWZMJQESA-N	247.254	2.111	50	40	BEGB	
O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1ccccc1O	102403460	DKXXKFGVKUORKZ-VMOFNBAQSA-N	244.294	2.298	50	40	BEGB	
[C-]#[N+][C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	104899511	FXJQZEDJHCSNFQ-LBPRGKRZSA-N	228.251	2.171	50	40	BEGB	
N#C/C(Cl)=C(\c1ccccc1)N1CCOCC1	3123373	BOCKPSHXJSJXQI-SEYXRHQNSA-N	248.713	2.450	50	40	BEGB	
O=C(/C=C/c1ccco1)NNc1ccccc1	4181842	WOZOQIYZKZBHRW-CMDGGOBGSA-N	228.251	2.436	50	40	BEGB	
C[C@H]1CCN(C(=O)OC(C)(C)C)C=C1C=O	1531865073	LJWODXAAZXYQPT-VIFPVBQESA-N	225.288	2.346	50	40	BEGB	
C[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1	2649894	QSGXOZATHLLEEQ-BDAKNGLRSA-N	211.692	2.491	50	40	BEGB	
CCOC(=O)/C(C#N)=C/[C@@]1(C)CCC(C)=CO1	5828020	SLWMQBCRIDZYCI-SVTZGKHISA-N	235.283	2.472	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1sccc1C#N	8231200	LPLPGROPGQEDBX-YFKPBYRVSA-N	214.677	2.186	50	40	BEGB	in-vitro
C[C@H](Cl)C(=O)Nc1cccc(F)c1	12504892	VJXUKJYCXBVIJL-LURJTMIESA-N	201.628	2.392	50	40	BEGB	in-vitro
COc1cc(C#CCCl)cc(OC)c1	87124240	XRXVRSHDBJNYKY-UHFFFAOYSA-N	210.660	2.294	50	40	BEGB	
COC(=O)/C(C#N)=C/c1cc(C)sc1C	110078	IEOQOCVPZARULM-BJMVGYQFSA-N	221.281	2.445	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(C)s1	2634555	JGPHPIPMAVDINS-JXMROGBWSA-N	232.308	2.266	50	40	BEGB	
O=C(CCl)NC[C@H]1CCCc2ccccc21	57214329	HRGHFZDNNGVBRK-LLVKDONJSA-N	237.730	2.462	50	40	BEGB	in-vitro
Cc1c(SC#N)cc(C(=O)O)c(O)c1C	57339459	TVKXBUGOCLFHNU-UHFFFAOYSA-N	223.253	2.280	50	40	BEGB	
O=C(N/N=C\c1ccccc1)c1ccccc1	59701743	RISHSDLMXPLIHT-PTNGSMBKSA-N	224.263	2.451	50	40	BEGB	
C/C(Cc1ccccc1)=N\NC(=O)C(C)C	18194409	GCFCPJZFOFPWTR-SDNWHVSQSA-N	218.300	2.377	50	40	BEGB	
O=C(C(Cl)Cl)n1cnc2ccccc21	51105085	CNSOTJVHYZBAMS-UHFFFAOYSA-N	229.066	2.480	50	40	BEGB	
C[C@@H]1C[C@@H]1c1ccc(CNC=C(C#N)C#N)o1	77568599	QQZJERQAWKVIDC-SKDRFNHKSA-N	227.267	2.424	50	40	BEGB	
O=C(OCCCCCl)[C@@H]1CC[C@@H]2O[C@@H]2C1	5376976	IZIFHUQKQJUOBQ-KXUCPTDWSA-N	232.707	2.116	50	40	BEGB	
Cc1ccc(-n2cc(CCl)nn2)cc1	52224861	XTLGCTCTMBSSHF-UHFFFAOYSA-N	207.664	2.315	50	40	BEGB	
Cn1cc(/C=C(\C#N)[N+](=O)[O-])c2ccccc21	242783	ZWORXCSEDBCBCW-UXBLZVDNSA-N	227.223	2.319	50	40	BEGB	
C=CCN1C(=O)C(=C(C#N)C#N)c2ccccc21	5830522	KEFLLDPPBXIQTQ-UHFFFAOYSA-N	235.246	2.020	50	40	BEGB	
Cc1ccccc1C(=O)N/N=C/c1ccc[nH]1	502756	KXFZVJBIRBPHHX-OQLLNIDSSA-N	227.267	2.087	50	40	BEGB	
CCOC(=O)NNc1cccc(Cl)c1	1655939	JPUCYDHPJLXDSO-UHFFFAOYSA-N	214.652	2.413	50	40	BEGB	
C=CCOc1ccc(NC(=O)CCl)cc1	13609026	AIUMAKUEQMYHBP-UHFFFAOYSA-N	225.675	2.429	50	40	BEGB	
COc1ccc(-n2cc(CCl)nn2)cc1	52224955	ALRBQFZEHSNBRP-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
CCOC(=O)COc1ccc(C(=O)Cl)cc1	59033730	QWHPTBAKZRKTPS-UHFFFAOYSA-N	242.658	2.008	50	40	BEGB	
C/C=N/NC(=O)CSc1nc2ccccc2o1	4117809	IZQVENDJJPEVAA-SWGQDTFXSA-N	249.295	2.042	50	40	BEGB	
O=C(CBr)c1ccc(O)cc1F	114868899	WLXXRLYAYQQESZ-UHFFFAOYSA-N	233.036	2.109	50	40	BEGB	
Cc1cccc(NC(=O)C(Cl)Cl)n1	1738582	NZRXNANQFTZMNJ-UHFFFAOYSA-N	219.071	2.132	50	40	BEGB	
O=C(CCl)N(Cc1ccccc1)C1CC1	26478626	QYVHZDXCXHVJKO-UHFFFAOYSA-N	223.703	2.416	50	40	BEGB	in-vitro
COc1ccc2c(c1)C(Cl)=C(C=O)C2	134110145	CMNBXQMSAHCCGJ-UHFFFAOYSA-N	208.644	2.400	50	40	BEGB	
CC(=O)Oc1cccc(C(=O)[C@@H](C)Cl)c1	308806622	OYNPKFKLIGTGGK-SSDOTTSWSA-N	226.659	2.422	50	40	BEGB	
N#C/C(=C\c1cccnc1)NC(=O)c1ccccc1	96897	OCPKRJQXPIFVTR-NTEUORMPSA-N	249.273	2.376	50	40	BEGB	
CSC(=C(C#N)C#N)N1CCCCC1	1986896	XUVREQPIGIZEHA-UHFFFAOYSA-N	207.302	2.094	50	40	BEGB	
O=NN(C(=O)NCCCl)C1CCCCC1	33823992	IGMMTYZWNUSEEU-UHFFFAOYSA-N	233.699	2.251	50	40	BEGB	in-vitro
CCC1=C(C#N)C(C#N)=C(Cl)N[C@H]1C	78550107	WPSHGEVCZNWQSC-LURJTMIESA-N	207.664	2.182	50	40	BEGB	
NNC(=O)c1ccc(/C=C/c2ccccc2)cc1	567941	OLQMQHYHOQLCSF-VOTSOKGWSA-N	238.290	2.461	50	40	BEGB	
C[C@H](CN=C=O)CC(C)(C)CCN=C=O	1850627	QGLRLXLDMZCFBP-JTQLQIEISA-N	210.277	2.101	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1ccc(C)cc1	5795462	KKIZDEFOEGGSKX-WQLSENKSSA-N	215.252	2.465	50	40	BEGB	biogenic,in-vitro
C/C(=N\NC(=O)C1[C@H]2CCCC[C@@H]12)C1CC1	17282493	RPHUYGUHIPAXGD-WREWFUPHSA-N	220.316	2.325	50	40	BEGB	
CCOC(=O)[C@H](Br)[Si](C)(C)C	169806470	VJHUIXYRWUFRAL-ZCFIWIBFSA-N	239.185	2.190	50	40	BEGB	
O=c1[nH]c2cc(CBr)ccc2o1	228944327	SPFSDNXOZQTVSD-UHFFFAOYSA-N	228.045	2.016	50	40	BEGB	
Cc1nn(C)c2ncc(C(=O)Cl)c(Cl)c12	2170088	MSLNFENZAFTHFM-UHFFFAOYSA-N	244.081	2.309	50	40	BEGB	
O=C(CCl)Nc1ccc(OC(F)F)cc1	2522288	FGCAKXOYJFUOFP-UHFFFAOYSA-N	235.617	2.465	50	40	BEGB	
C/C(=N/NC(N)=O)C1=C[C@@]2(C)CC[C@@H]1C2(C)C	4267029	MUWXGLGFBULXSQ-FLANYWFWSA-N	235.331	2.413	50	40	BEGB	
Cc1ccc(NC(=O)CCl)c(O)c1C	9236162	JKYRJLGTBDUUHP-UHFFFAOYSA-N	213.664	2.186	50	40	BEGB	
BrCc1c[nH]c2ncccc12	38540164	LJSVMQHYWFENCK-UHFFFAOYSA-N	211.062	2.458	50	40	BEGB	
COc1cccc(-n2cc(CCl)nn2)c1	52225171	VSZBDXUSFQOWQZ-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
CC(C)N(C(=O)C(Cl)Cl)C(C)C	1672994	GWCFWYFGDBHVGX-UHFFFAOYSA-N	212.120	2.436	50	40	BEGB	
O=C1O[C@H](CCl)CN1c1cccs1	96029595	SSUADADBHGNEJX-ZCFIWIBFSA-N	217.677	2.312	50	40	BEGB	
CCc1ccc(/C=C(\C#N)C(=O)NC2CC2)s1	370488	XVSCUFKYZYHTPR-VQHVLOKHSA-N	246.335	2.496	50	40	BEGB	
O=C1ON=C(CCl)/C1=C/c1ccc(F)cc1	44804576	IPXJUQIZUGXVTC-UITAMQMPSA-N	239.633	2.361	50	40	BEGB	in-vitro
COC(=O)[C@H](Cl)c1cc(OC)cc(OC)c1	50978034	RWNHCMSKBLURNY-SNVBAGLBSA-N	244.674	2.157	50	40	BEGB	in-vitro
BrCCCCN1CCCC1	40989627	HWFQUIDUSNKZQS-UHFFFAOYSA-N	206.127	2.257	50	40	BEGB	
CC(C)=C1[C@H]2CC/C(=N\NC(N)=O)[C@@H]1CC2	43761560	GGDFQMOYBOBMDF-IFEQDWRSSA-N	221.304	2.167	50	40	BEGB	
O=C(NNc1ccccc1)[C@@H]1CC1(Cl)Cl	120468700	RQPVWTXUBKELOW-QMMMGPOBSA-N	245.109	2.324	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1ccccc1C	102663	FPBJDRRJLHQBJS-XYOKQWHBSA-N	215.252	2.465	50	40	BEGB	
C[C@@H](NC(=O)CCl)c1ccc(F)cc1	3887079	RAKOSWBWXGXGRF-SSDOTTSWSA-N	215.655	2.242	50	40	BEGB	
O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1ccccc1O	5678874	DKXXKFGVKUORKZ-HAMRDXTISA-N	244.294	2.298	50	40	BEGB	
C=CCn1cc(Cl)cc/c1=N\C=C(C#N)C#N	12363729	HWTYUEDGDMKCKG-FOWTUZBSSA-N	244.685	2.159	50	40	BEGB	
C/C(Nc1ccc(Cl)cc1)=C(\C#N)C(N)=O	100094988	YPKJUWVWNUJUBR-YFHOEESVSA-N	235.674	2.035	50	40	BEGB	
O=C(CCl)Nc1ccc2c(c1)OCCCO2	3888061	GJQLWCAWMVXADU-UHFFFAOYSA-N	241.674	2.025	50	40	BEGB	
O[C@H]1CC[C@H]2C[C@H](CBr)[C@H]1C2	100017778	ZGZKEENVMYNWHQ-KDXUFGMBSA-N	219.122	2.178	50	40	BEGB	
Fc1cccc(-n2cnnc2CCl)c1	149808452	QCVSINXFYMINPN-UHFFFAOYSA-N	211.627	2.145	50	40	BEGB	
ClC[C@@H]1CO[C@@H](c2ccc3c(c2)OCO3)O1	1674896	GGVRTQFRYSUGCB-LDYMZIIASA-N	242.658	2.068	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)s1	100634273	CTKKNTWTJIUUJJ-RUDMXATFSA-N	240.291	2.223	50	40	BEGB	
CC(C)NC(=O)[C@H](Br)C(C)(C)C	158177	DLBAEXFSTOUKHJ-ZETCQYMHSA-N	236.153	2.321	50	40	BEGB	
C[C@H](Cl)C(=O)NCCc1cccs1	4206388	LQONMZBNDVUHIC-ZETCQYMHSA-N	217.721	2.034	50	40	BEGB	in-vitro
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccccc1O	5945827	SNCZJVGXKKDFKM-HDNPNFOBSA-N	242.278	2.074	50	40	BEGB	
O=C(Cl)O/N=C/c1ccc([N+](=O)[O-])cc1	98074320	DXHIYECIRVUQBE-BJMVGYQFSA-N	228.591	2.304	50	40	BEGB	
O=N[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1Br	104100166	CCBBPMCQJUZJQU-MVIOUDGNSA-N	202.051	2.091	50	40	BEGB	
CCN(C(=O)CCl)c1cccc(OC)c1	199758604	OTCRAGFOUCLDFM-UHFFFAOYSA-N	227.691	2.287	50	40	BEGB	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)C(Cl)Cl	1569615	XVNAYJMJVIAOHN-GJMOJQLCSA-N	236.142	2.343	50	40	BEGB	
N#C/C=C(/c1ccc(F)cc1)N1CCOCC1	3294480	VWTCVFMZIMIAOK-ACAGNQJTSA-N	232.258	2.022	50	40	BEGB	
COc1c(F)cc(C(=O)Cl)cc1[N+](=O)[O-]	57351193	NZIWXCCLUWQGNW-UHFFFAOYSA-N	233.582	2.122	50	40	BEGB	
O=C1OC(=O)[C@@H]2CC(c3ccccc3)=CC[C@@H]12	100494385	JKYWPOLMZPJQML-VXGBXAGGSA-N	228.247	2.180	50	40	BEGB	
CC(C)(C)NC(=O)C1[C@@H]2CC[C@@H]1C2Cl	104100486	PHVLWBBKXPJHKA-MSIFESELSA-N	215.724	2.165	50	40	BEGB	
C[C@@H](CN=C=O)CC(C)(C)CCN=C=O	1850629	QGLRLXLDMZCFBP-SNVBAGLBSA-N	210.277	2.101	50	40	BEGB	
C=CCOC[C@@H](CCl)OC(=O)CCC	2046266	YYFNDQGOXHSBOB-SECBINFHSA-N	220.696	2.140	50	40	BEGB	
COc1ccc(CCC(=O)Cl)cc1OC	33433957	SUCHFQLAEJRLOS-UHFFFAOYSA-N	228.675	2.402	50	40	BEGB	in-vitro
O=C(N/N=C\c1ccc[nH]1)c1ccc(Cl)cc1	36046635	FKKSWBBZJQVWNP-NVNXTCNLSA-N	247.685	2.432	50	40	BEGB	
OC(CCl)(CCl)c1ccccc1	1656330	XNWMBCIVHSJEIG-UHFFFAOYSA-N	205.084	2.352	50	40	BEGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccco2)c1	3161054	JVHHFLGNDNXTJK-RIYZIHGNSA-N	244.250	2.058	50	40	BEGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1cccs1	4646950	IBUZHAWKTWSTTF-JIBFJXAJSA-N	232.308	2.430	50	40	BEGB	
ClCc1csc(Nc2ncccn2)n1	70697654	MQZOXUUWJCVHGH-UHFFFAOYSA-N	226.692	2.416	50	40	BEGB	
[C-]#[N+][C@@H](C1CC1)S(=O)(=O)c1ccc(C)cc1	101661021	ZRFHBJIXRUHQII-GFCCVEGCSA-N	235.308	2.424	50	40	BEGB	
Cc1ccc(N2C=NO[C@@H]2CCl)cc1	219036901	FIXGYDDWBQAFFT-SNVBAGLBSA-N	210.664	2.340	50	40	BEGB	
ClC[C@H]1CO[C@@H]([C@@H]2C[C@H]3C=C[C@@H]2C3)O1	5382699	IMAZNHMBJHURDA-OGBGREFGSA-N	214.692	2.179	50	40	BEGB	
COc1ccc(F)c(F)c1C(=O)CCl	199753485	WJNISBKLJWCCBR-UHFFFAOYSA-N	220.602	2.395	50	40	BEGB	
O=C(N/N=C/C=C\c1ccco1)c1ccco1	12374865	HLGKWQNSSHVFBQ-RRRSZIBASA-N	230.223	2.302	50	40	BEGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(Cl)s1	59334964	UXBIOFXEMKHZFK-ALCCZGGFSA-N	240.715	2.397	50	40	BEGB	
CO[Si](CC[C@H]1C[C@@H]2C=C[C@H]1C2)(OC)OC	196988209	WLCVNBXWMQMKGJ-WOPDTQHZSA-N	242.391	2.467	50	40	BEGB	
Cc1cc(NC(=O)CCl)n(-c2ccccc2)n1	126531	WITNPEBNOYWOGB-UHFFFAOYSA-N	249.701	2.358	50	40	BEGB	
O=C(CCl)Nc1ccc2c(c1)OC(F)(F)O2	3325475	YLZVYUZJEUZJMX-UHFFFAOYSA-N	249.600	2.185	50	40	BEGB	
C/C(=N\NC(=O)c1ccccc1)c1cccnc1	5162862	GYKOKVANZFOZPN-LFIBNONCSA-N	239.278	2.236	50	40	BEGB	
C[C@H](Cl)C(=O)NC1CCCCCC1	8074990	FRWGFIWRNMFYNE-QMMMGPOBSA-N	203.713	2.453	50	40	BEGB	in-vitro
CN1CCCc2cc(C=C(C#N)C#N)ccc21	16742184	RKNSXVWRSCTJFY-UHFFFAOYSA-N	223.279	2.500	50	40	BEGB	
CC(=O)N/N=C/c1ccc(N2CCCC2)cc1C	59148677	TUQOSLLTLAGINI-XNTDXEJSSA-N	245.326	2.065	50	40	BEGB	
CC1(C)[C@H]2C[C@H]1C[C@@H]1[C@@H]2CC[C@H]2C(=O)OC(=O)[C@@H]21	103899855	VGXLDXXABXEBLX-MCNAKINOSA-N	248.322	2.394	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C\c1ccsc1	208071216	ZHJLVUBCTSZVPT-YHYXMXQVSA-N	220.297	2.180	50	40	BEGB	
CC(C)CC(=O)NNc1ncnc2ccccc12	6550451	MUQGDDAWOSPDQO-UHFFFAOYSA-N	244.298	2.119	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C\C=C\c1ccccc1	35073541	ZWFPBROZKZOLEQ-NHZNEZGNSA-N	238.290	2.452	50	40	BEGB	
N#C/C(=C\c1c[nH]c2cc(Cl)ccc12)C(N)=O	49545105	SSEZFHOKILNALV-XVNBXDOJSA-N	245.669	2.214	50	40	BEGB	
ClCc1cn2cc(Br)cnc2n1	88190253	COJRNIODABUBOS-UHFFFAOYSA-N	246.495	2.231	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C\c1ccccc1F	26686841	HLOJTCVHPNYDPX-FLIBITNWSA-N	230.242	2.035	50	40	BEGB	
O=C(CCl)Nc1cc(F)c(F)c(F)c1	40175491	LIESBFHMAAALGT-UHFFFAOYSA-N	223.581	2.281	50	40	BEGB	
O=C(Cl)C1[C@H]2C[C@H]1[C@@H](Cl)[C@H]2Cl	104187255	XHWJSNKVSWZPAV-NPGRKEFMSA-N	213.491	2.233	50	40	BEGB	
CC(=O)Nc1ccc(C)c(NC(=O)CCl)c1	368003	GAWXEDWGZFORBO-UHFFFAOYSA-N	240.690	2.131	50	40	BEGB	
COCCOCOC(C)(C)CCCCl	1613296	SBXYTNJYOBNBDV-UHFFFAOYSA-N	224.728	2.421	50	40	BEGB	
ClCCSc1nnc(-c2cccnc2)o1	4967337	BGCUJSLWTFJNNE-UHFFFAOYSA-N	241.703	2.463	50	40	BEGB	
CCOC(=O)N/N=C\c1ccc(Cl)cc1	31687306	ZWIPXMCXBGEZBP-GHXNOFRVSA-N	226.663	2.420	50	40	BEGB	
CC(C)CCc1cc(=O)[nH]c(CCl)n1	96525763	CLGVTVJLNSWJFE-UHFFFAOYSA-N	214.696	2.097	50	40	BEGB	
O=C(Cl)c1cccc([N+](=O)[O-])c1C(=O)Cl	100116943	KCQTXQLIDVZGFX-UHFFFAOYSA-N	248.021	2.353	50	40	BEGB	
COCCN(C(=O)CCl)C1=CCCCC1	4206116	SGEFBBCYMOOPBH-UHFFFAOYSA-N	231.723	2.158	50	40	BEGB	
CC/C(C)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	5384827	MQWHJQPKGCCEKX-UKTHLTGXSA-N	249.270	2.039	50	40	BEGB	
CCOC(=O)/C(C#N)=C1\CCc2ccccc21	12368697	ICZYLEOZKCVRDR-OUKQBFOZSA-N	227.263	2.473	50	40	BEGB	
O=C(Br)[C@](F)(Cl)C(F)(F)F	16159138	ZIFBTORDHWTPEQ-UWTATZPHSA-N	243.381	2.375	50	40	BEGB	
CCCCc1cc(C(=O)NN)c2ccccc2n1	1681709	RYECDYRNPJHKSH-UHFFFAOYSA-N	243.310	2.181	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(=O)NC(C)C)o1	3304551	YDOALZAICDMMBZ-UXBLZVDNSA-N	218.256	2.020	50	40	BEGB	
CN(C)C[C@@H]1CCCC[C@H](Br)C1=O	5119321	DJSDSZLTDWYGFJ-IUCAKERBSA-N	248.164	2.071	50	40	BEGB	
O=C(Cl)[C@@](F)(Br)C(F)(F)F	4329266	LYEISECDEKRQHL-REOHCLBHSA-N	243.381	2.375	50	40	BEGB	biogenic,in-vitro
NC(=O)N/N=C1/CCCCCC[C@@H]2C[C@@H]12	4664674	KZGDHRSXCJFQOY-CVFBAYSTSA-N	209.293	2.001	50	40	BEGB	
C=C/C=N/NC(=O)c1cc2ccccc2cc1O	5613095	XLOWXJWTIKGYNJ-VIZOYTHASA-N	240.262	2.447	50	40	BEGB	
O=C(Cl)CCc1ccc([N+](=O)[O-])cc1	34368585	JJNOMYSPHZFVPE-UHFFFAOYSA-N	213.620	2.293	50	40	BEGB	
Cc1c(SC#N)c(N)cc(N)c1SC#N	59608394	IWJCTRXZVIMHRP-UHFFFAOYSA-N	236.325	2.306	50	40	BEGB	
CC(=O)OCCCC[C@H](F)CBr	98174930	PFUBUHMKLAXSFV-QMMMGPOBSA-N	241.100	2.453	50	40	BEGB	
O=C(NCCBr)C1CCCCC1	6261852	KPAQMSPHNIVTET-UHFFFAOYSA-N	234.137	2.078	50	40	BEGB	
F[C@@H](Br)CBr	95707799	MZYSDQJCGXPRJB-UWTATZPHSA-N	205.852	2.072	50	40	BEGB	
CC1(C)CC(=O)[C@H]2C(CCCCl)=NN[C@H]2C1	228921121	VPUALNWVCHDCOC-ONGXEEELSA-N	242.750	2.339	50	40	BEGB	
O=C(N/N=C/c1cccnc1)C1CCCCC1	334818	ANMQEQOHVGUPFO-XNTDXEJSSA-N	231.299	2.112	50	40	BEGB	
CCCCCC(=O)N/N=C/c1ccco1	1956854	WDZXHBBASAKMFS-FMIVXFBMSA-N	208.261	2.310	50	40	BEGB	
O=C(CCCCl)NCc1ccc(F)cc1	6332566	JPMBXLUZLXUQHY-UHFFFAOYSA-N	229.682	2.461	50	40	BEGB	
CC1=CCC/C(=N\NC(N)=O)C12CCCC2	17748219	FJNGDWZHCIEBDZ-GXDHUFHOSA-N	221.304	2.311	50	40	BEGB	
O=[S@@](OO)c1cc(Cl)c(O)c(Cl)c1	104045244	ZQZBKKDZKWZCGX-CYBMUJFWSA-N	243.067	2.211	50	40	BEGB	
Cc1cc(OCCl)ccc1[N+](=O)[O-]	1670352	GECUFSNSIBFKFG-UHFFFAOYSA-N	201.609	2.478	50	40	BEGB	
CCC(CC)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	4074253	VXYFHUVLLRTRPN-LLVKDONJSA-N	246.314	2.324	50	40	BEGB	
O=C(CBr)c1ccc(Cl)nc1	36533676	ULZREOFAPZUQHH-UHFFFAOYSA-N	234.480	2.313	50	40	BEGB	
C[C@H](Br)Cc1nccs1	63044356	MKJRZTZMCXBRQU-YFKPBYRVSA-N	206.108	2.469	50	40	BEGB	
CC1(C)CN2C(CCl)=CSC2=N1	103595105	QCZJKWKRYIDOIX-UHFFFAOYSA-N	202.710	2.264	50	40	BEGB	
O=C(N/N=C/C=C/c1ccco1)c1ccco1	2340515	HLGKWQNSSHVFBQ-NYNQDTEKSA-N	230.223	2.302	50	40	BEGB	
CN(C)P(=O)(N(C)C)N1CCCCCC1	104201877	QNJJPZFYVIPYCL-UHFFFAOYSA-N	233.296	2.094	50	40	BEGB	
O=c1c2oc3ccccc3c2cnn1CCl	1576405	YPJXKYWWBZTNFP-UHFFFAOYSA-N	234.642	2.339	50	40	BEGB	
O=[S@@](Cl)C(Cl)(Cl)Cl	100117739	XUDFWSSAMJVVCP-ZETCQYMHSA-N	201.889	2.217	50	40	BEGB	in-vitro
CCOC(=O)N/N=C/c1ccc2c(c1)CCC2	2160210	KEXDWMJXGFMCBK-NTEUORMPSA-N	232.283	2.255	50	40	BEGB	
CC(=O)N[C@@H](C)c1ccc(C(=O)CCl)cc1	4218878	LMIVOOIKJMVTTG-QMMMGPOBSA-N	239.702	2.305	50	40	BEGB	
CCOC(=O)N/N=C(\C)c1cccs1	5207179	PAYRZDBWIVXDFT-JXMROGBWSA-N	212.274	2.218	50	40	BEGB	
COc1cccc2c1CC(C=O)=C(Cl)C2	1857793548	LGGQUOLZYKGCPQ-UHFFFAOYSA-N	222.671	2.486	50	40	BEGB	
N#C[C@@H](Cl)Cc1cccc([N+](=O)[O-])c1	3071198	HKAWRAJOVWSAMP-QMMMGPOBSA-N	210.620	2.268	50	40	BEGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccccn1	5705237	JAXXAAXIWYRAPL-HGLKBHAMSA-N	229.283	2.154	50	40	BEGB	
CC/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1	4144944	VXULJKSRKKIDKM-UKTHLTGXSA-N	249.270	2.419	50	40	BEGB	
O=C(N/N=C\c1ccsc1)c1cccc(O)c1	35799880	ROXXPDGZXAUSDV-QPEQYQDCSA-N	246.291	2.218	50	40	BEGB	
CC(/C=C/c1ccc(Cl)cc1)=N/NC(N)=O	5503154	UBQZSMHZGXEIDH-KBEAGGLJSA-N	237.690	2.397	50	40	BEGB	
COc1ccc2[nH]cc(/C=C/C=O)c2c1	90645371	ONSRRKPJZKYJJU-NSCUHMNNSA-N	201.225	2.389	50	40	BEGB	
CCSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	409129405	GAAZPAAMMRYZLH-QMMMGPOBSA-N	248.307	2.371	50	40	BEGB	
O=C1N[C@@H](c2cc(Cl)ccc2Cl)C(=O)O1	1772714858	AGCCGYPQBIHRBE-ZETCQYMHSA-N	246.049	2.301	50	40	BEGB	
CCOc1cccc2c1N[S@](=O)S2	5962359	HPIAUOFSSALFCB-ZDUSSCGKSA-N	215.299	2.182	50	40	BEGB	
NCc1ccccc1CBr	44236363	SLSKDPOLRRMPST-UHFFFAOYSA-N	200.079	2.040	50	40	BEGB	
CCOC(=O)[C@@H](Cl)C(=O)c1ccccc1	101074388	FYIINBVGKBDRME-VIFPVBQESA-N	226.659	2.040	50	40	BEGB	
N#CC1=C(c2ccc(Cl)cc2)NC(=O)CC1	1402654	GZTHDIJQNLXKGQ-UHFFFAOYSA-N	232.670	2.485	50	40	BEGB	
O=[N+]([O-])c1ccc(NCCCl)c([N+](=O)[O-])c1	5011795	KIUINNCYJPPOLM-UHFFFAOYSA-N	245.622	2.154	50	40	BEGB	
CC(=O)Nc1ccc(F)cc1C(=O)Cl	199746605	SNNFSANONNUZEF-UHFFFAOYSA-N	215.611	2.163	50	40	BEGB	
CCn1ncc2c1CC[C@H](Br)C2	575423939	HCWRGADIMMBAPN-QMMMGPOBSA-N	229.121	2.155	50	40	BEGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccco2)n1	408979506	RFJLECSDHGUYRS-YRNVUSSQSA-N	241.250	2.340	50	40	BEGB	
C[C@@H](Br)C(=O)NCC1CCCC1	41691248	CAPNLOZDAYTNOG-SSDOTTSWSA-N	234.137	2.076	50	40	BEGB	
C/C(=N/NC(=O)c1ccco1)c1cccs1	12416694	HLAFQEFXMMPJTP-WQLSENKSSA-N	234.280	2.495	50	40	BEGB	
O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1ccccc1O	5678877	DKXXKFGVKUORKZ-MEHNQBGXSA-N	244.294	2.298	50	40	BEGB	
O=C(Cl)c1cc(=O)c2ccccc2o1	5934939	FAEHWELEABAGRQ-UHFFFAOYSA-N	208.600	2.172	50	40	BEGB	
Cc1nc(C)c(C(=O)N/N=C/c2ccco2)s1	3174000	FGISYMLWVCSGRW-WUXMJOGZSA-N	249.295	2.117	50	40	BEGB	
CCCC[C@@H]1CCC/C(=N/NC(N)=O)C1	5699816	RHUAYXYWSQMVHS-BLKPKJALSA-N	211.309	2.391	50	40	BEGB	
CCC(CC)C1C(C#N)=C(N)SC(N)=C1C#N	20010825	POAKINFZXXZAJZ-UHFFFAOYSA-N	248.355	2.173	50	40	BEGB	
N#CCOc1ccccc1C=C(C#N)C#N	22344421	PPFBDPJDHZVLLP-UHFFFAOYSA-N	209.208	2.020	50	40	BEGB	
Fc1ccc(Cn2cc(CCl)nn2)cc1	52225909	VUXXWLRLJHVKEZ-UHFFFAOYSA-N	225.654	2.204	50	40	BEGB	
COc1cc(CCCl)cc(OC)c1	82955048	VQFFNQKHAQPQGO-UHFFFAOYSA-N	200.665	2.485	50	40	BEGB	
O=C1C[C@@H]2[C@@H]3C[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]14	104107375	MXVLNNRANFLZHC-QCARWOQDSA-N	241.128	2.241	50	40	BEGB	
C/C(=C/[C@@H]1CC(=O)OC1=O)CC(C)(C)C	104364652	VAWNKQGQEGSSNK-BZJXQOFCSA-N	210.273	2.459	50	40	BEGB	
O=C(O)Cc1ccc(F)cc1CBr	169796671	GGTHPELGJYDYRA-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
COc1cccc(C(=O)N/N=C(\C)C(C)C)c1	369706	VAVAPEBWPOKOLE-GXDHUFHOSA-N	234.299	2.457	50	40	BEGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccncc2)C1	5158542	UYQHHKANUYIZLE-ABQLBJTMSA-N	231.299	2.378	50	40	BEGB	
Cc1ccc(/C=C(/C#N)C(=O)NC2CC2)s1	34890214	LZZRWMFGEJHKCN-TWGQIWQCSA-N	232.308	2.242	50	40	BEGB	
COc1cccc([C@@H](C)NC(=O)CCl)c1	37501628	RAYKJMQXUASGIP-MRVPVSSYSA-N	227.691	2.111	50	40	BEGB	
C[C@@H](Cl)C(=O)NC(C)(C)c1nccs1	41696203	UBKHYYDABMQXGN-ZCFIWIBFSA-N	232.736	2.122	50	40	BEGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(O)c1	41709017	MUWZJGROPTYFSU-QVIVLVACSA-N	244.294	2.214	50	40	BEGB	
CC(C)(C)OC(=O)OCCBr	1083809759	FKTXVAYXOURQMX-UHFFFAOYSA-N	225.082	2.333	50	40	BEGB	
C[C@H](Cl)C(=O)N(C)Cc1cccc(F)c1	4205808	YRFDJMYHHAHVHP-QMMMGPOBSA-N	229.682	2.411	50	40	BEGB	
Cn1nc(C(=O)Cl)cc1-c1ccccc1	5177723	GGTILSLHNBUQIY-UHFFFAOYSA-N	220.659	2.466	50	40	BEGB	
CC(C)[C@@H]1CC[C@H](C)C/C1=N\NC(N)=O	13096614	QWQKGHCCVVXGRH-QZIRTXDSSA-N	211.309	2.103	50	40	BEGB	
N#C[C@H](O)c1ccc(Br)cc1	100107079	AYTVNJIUMVFUCJ-QMMMGPOBSA-N	212.046	2.006	50	40	BEGB	
COCCOc1ccnc(CCl)c1C	141968699	MCFXSWWXIMKWMY-UHFFFAOYSA-N	215.680	2.154	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2ccc[nH]2)cc1	95938567	UMARGMQOWHNXNL-DHDCSXOGSA-N	227.267	2.087	50	40	BEGB	
CC(=O)OCCC[C@H](F)CBr	98174936	DAFIOMALIPMMQR-ZETCQYMHSA-N	227.073	2.063	50	40	BEGB	
N#CC(C(=O)NCc1ccncc1)=C1CCCC1	16972558	XKPKBASGULEWTH-UHFFFAOYSA-N	241.294	2.092	50	40	BEGB	
COc1ccc(/C=C(\C#N)C(=O)Cl)cc1	33433583	UZSAZHVTRXUECQ-RMKNXTFCSA-N	221.643	2.368	50	40	BEGB	
O=C(CBr)Nc1cccc(CF)c1	85391350	LVGIVVDGFHWXPZ-UHFFFAOYSA-N	246.079	2.490	50	40	BEGB	
[C-]#[N+][C@@H](Cc1ccccc1)C(=O)N1CCCC1	100263217	VXAXHJLDFHOWLK-ZDUSSCGKSA-N	228.295	2.139	50	40	BEGB	
O[C@@H]1CC[C@H]2C[C@@H](CBr)[C@H]1C2	255004342	ZGZKEENVMYNWHQ-RBXMUDONSA-N	219.122	2.178	50	40	BEGB	
O=C(CNc1ccccc1)NN=C1CCCC1	5119817	AJODUIJBQGUDDU-UHFFFAOYSA-N	231.299	2.145	50	40	BEGB	
O=C(CCCCl)N1CCCCCC1	5217940	WDROMTLWFNKNEN-UHFFFAOYSA-N	203.713	2.408	50	40	BEGB	
O=C(CCl)Nc1ccncc1Br	11919522	YHQMMBMVKUWHLK-UHFFFAOYSA-N	249.495	2.021	50	40	BEGB	
CC(C)N(Cc1ccco1)C(=O)CCl	32013088	GMHQBILRUMTNDN-UHFFFAOYSA-N	215.680	2.255	50	40	BEGB	
CCCOc1ccc(CNC(=O)CCl)cc1	39390192	NFDWKLDEDXLXMK-UHFFFAOYSA-N	241.718	2.330	50	40	BEGB	
O=C(Cl)c1cn(-c2ccccc2Cl)nn1	85345170	LCXIMSHASFZSIA-UHFFFAOYSA-N	242.065	2.300	50	40	BEGB	
CC[Si](CC)(CC)OCCC(=O)N(C)OC	1857788517	NSYLFOKCKJNOGV-UHFFFAOYSA-N	247.411	2.418	50	40	BEGB	
COCCn1c(C)cc(C(=O)CCl)c1C	3257503	JMJXKSAZKQXABB-UHFFFAOYSA-N	229.707	2.173	50	40	BEGB	in-vitro
CC(=O)N/N=C1\C[C@H]2CC[C@]1(C)C2(C)C	4964170	FFTKQXMPLXIUPM-JHZWRWFKSA-N	208.305	2.325	50	40	BEGB	
CC(C)NC[C@H](C)CCBr	5962946	GTGAZNWHTWVRRN-MRVPVSSYSA-N	208.143	2.406	50	40	BEGB	
Cc1ccsc1/C=C(\C#N)C(N)=S	12341343	PUDLVUQLXVKPKQ-QPJJXVBHSA-N	208.311	2.250	50	40	BEGB	
CN1C(C)(C)CC(=O)[C@H](Br)C1(C)C	31861505	RCNCVWBGGCFCNE-QMMMGPOBSA-N	248.164	2.212	50	40	BEGB	
COC(=O)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C	101814881	ZXRTUFICUMUIEL-VAGTUELUSA-N	222.288	2.321	50	40	BEGB	
COc1ccccc1[C@H]1OC[C@H](CCl)O1	1677482	FGZZEMGDNLVORZ-KWQFWETISA-N	228.675	2.348	50	40	BEGB	
O=C(N/N=C\c1ccc(O)cc1)c1ccccc1	45008558	SOGSNJSJOSFZAI-GDNBJRDFSA-N	240.262	2.156	50	40	BEGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(N)=O)[C@@H]2Br	100848704	OUSRFFNMRBJHKQ-UASFKTIASA-N	246.148	2.062	50	40	BEGB	
N#C/C(=C/c1ccco1)C(=O)NC1CCCC1	4502018	YKMQJFMQEMZQIX-NTMALXAHSA-N	230.267	2.245	50	40	BEGB	
O=C(CCl)Nc1cc(Cl)ccc1[N+](=O)[O-]	4932494	BNTPSCCTYLHMSU-UHFFFAOYSA-N	249.053	2.426	50	40	BEGB	
C[C@H]1CCC[C@H](NC(=O)CCl)[C@@H]1C	5677470	SJQAZCTZMYEFHA-YIZRAAEISA-N	203.713	2.166	50	40	BEGB	
CC[C@H](Cl)C(=O)NCc1ccccc1	8183812	GSGWHVLXMSAXAQ-JTQLQIEISA-N	211.692	2.320	50	40	BEGB	in-vitro
CN(CCCOc1ccccc1)C(=O)CCl	37654126	RFMDZNGVLQBCQE-UHFFFAOYSA-N	241.718	2.153	50	40	BEGB	
COC(=O)c1c(N=C=O)sc(C)c1C	59296482	UGZUAQNYBKWCCK-UHFFFAOYSA-N	211.242	2.119	50	40	BEGB	
COc1ccccc1C/C(C)=N/NC(=O)C1CC1	8105117	XQAPLJCPKXSAPG-XNTDXEJSSA-N	246.310	2.140	50	40	BEGB	
O=C1Nc2ccccc2N[C@H]1CCCl	38700834	FAJIZLFALYZEKI-VIFPVBQESA-N	210.664	2.048	50	40	BEGB	
CC(C)C/C=N\NC(=O)Cc1ccccc1	8649664	KYDSUAMFXDPOSQ-ZROIWOOFSA-N	218.300	2.377	50	40	BEGB	
C[C@H](Cl)c1nc(-c2cccnc2)no1	9458151	WLYCMJSCVOQDLT-LURJTMIESA-N	209.636	2.431	50	40	BEGB	
CC/C(=N/NC(N)=O)c1ccc(Cl)cc1	17427779	YZQKXWGXLPLUIL-LCYFTJDESA-N	225.679	2.122	50	40	BEGB	
CN(C)C(=O)/C(C#N)=C\c1c[nH]c2ccccc12	59333603	BJFWGQYTGDRNHT-YFHOEESVSA-N	239.278	2.163	50	40	BEGB	
N#C/C(=C/Nc1ccccc1Cl)C(N)=S	100423174	CCOAPAVWBREFTR-SREVYHEPSA-N	237.715	2.445	50	40	BEGB	
C[Sn](C)(C)CCl	196233895	UJYUUICSINMICU-UHFFFAOYSA-N	213.296	2.103	50	40	BEGB	
N=C(N)c1cc(F)ccc1CBr	199555464	NRSYVZAOFOMBNY-UHFFFAOYSA-N	231.068	2.005	50	40	BEGB	
Cc1occc1C(=O)N/N=C/c1ccsc1	2738625	HVWVHCNOPINDSR-WUXMJOGZSA-N	234.280	2.413	50	40	BEGB	
N#CCCN(C(=O)CCl)c1ccccc1F	3246426	RRIKJNMIEOBISD-UHFFFAOYSA-N	240.665	2.311	50	40	BEGB	
C[C@@H](Cl)C(=O)NCc1ccc(F)cc1	8324081	NIECYTLHZCSRKB-SSDOTTSWSA-N	215.655	2.069	50	40	BEGB	in-vitro
CCOc1ccc(/C=N\NC(=O)C(C)C)cc1	35060959	ZKVIIBWROLFWLI-ZROIWOOFSA-N	234.299	2.191	50	40	BEGB	
CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(N)=O	408603078	QAFMGPSOLDWDTR-MJWAUXSNSA-N	244.294	2.256	50	40	BEGB	
Cc1ccccc1C(=O)N/N=C/c1ccccn1	482764	ZDZRPVSRIOPDPC-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
CCOC(=O)/C(C#N)=C\[C@]1(C)CCC(C)=CO1	31723598	SLWMQBCRIDZYCI-YLBKJLTLSA-N	235.283	2.472	50	40	BEGB	
Cc1ccccc1-n1cc(CCl)nn1	52225365	WIWAMLYECDUTNQ-UHFFFAOYSA-N	207.664	2.315	50	40	BEGB	
O=C(CCCl)c1c[nH]c2ncccc12	83236049	SCGLSHLEAQICLA-UHFFFAOYSA-N	208.648	2.375	50	40	BEGB	
CN1c2ccccc2[C@@H]2C=C(C=O)C=C[C@H]21	102132921	PYFGQYUCBXXFMR-GXTWGEPZSA-N	211.264	2.284	50	40	BEGB	
C[Si](C)(C)O[C@@H](C(=O)O)[Si](C)(C)C	199702341	YEUFORSTGVNIGY-MRVPVSSYSA-N	220.417	2.169	50	40	BEGB	
O=C(NCCCl)Nc1ccc(Cl)cn1	3226173	ZULTUCULXGUHFC-UHFFFAOYSA-N	234.086	2.095	50	40	BEGB	
Cc1cccc(C(=O)N/N=C/CC(C)C)c1O	16971720	SOOLXAYNJKQRSR-RIYZIHGNSA-N	234.299	2.462	50	40	BEGB	
CC(C)[C@@H](Br)C(=O)N1CCCC1	19519517	LCWKWGGQZRLMEB-MRVPVSSYSA-N	234.137	2.028	50	40	BEGB	in-vitro
C[C@]1(c2ccccc2)CCC/C1=N\NC(N)=O	16951785	YPZADWPHMJUIFG-WDGDVPDHSA-N	231.299	2.153	50	40	BEGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccco1	15229676	VFCVOQBOQKIDEV-DHDCSXOGSA-N	246.241	2.112	50	40	BEGB	
CC(C)(C)Oc1cccc([C@@H](N=C=O)C(=O)O)c1	71791680	ONPHWAWDGPNLCS-LLVKDONJSA-N	249.266	2.325	50	40	BEGB	
O=C(CCl)N1N=CC[C@H]1c1ccccc1	541482	AOGBFUDVQOXSNE-JTQLQIEISA-N	222.675	2.185	50	40	BEGB	
O=S1[C@@H]2CC[C@H](Cl)[C@H]1CC[C@@H]2Cl	1573658	SKGSRHXKRVAPBW-RULNZFCNSA-N	227.156	2.275	50	40	BEGB	
O=C1OC(=O)c2cc(C(F)(F)F)ccc21	97950182	AKAAHMXNWDUFTD-UHFFFAOYSA-N	216.114	2.016	50	40	BEGB	in-vitro
COc1cccc([C@@H](O)CBr)c1	12506190	MHSXJMCQZFZDPK-VIFPVBQESA-N	231.089	2.124	50	40	BEGB	
CCC/C=N\NC(=O)c1ccc(OC)cc1	5329227	HROUUQHDXOUJJE-LCYFTJDESA-N	220.272	2.211	50	40	BEGB	
N#CS[C@H](C#N)[C@H](C#N)c1ccccc1	11690621	FFDGJFFHPKCGCN-GHMZBOCLSA-N	213.265	2.400	50	40	BEGB	
Clc1cnc2n1[C@@H](Br)C=CO2	238511484	WWDGDCIRISMCQX-SCSAIBSYSA-N	235.468	2.336	50	40	BEGB	
O=c1n(CCl)c2ccccc2n1CCl	3174318	ADLGDIJWBRHWFI-UHFFFAOYSA-N	231.082	2.196	50	40	BEGB	
CCOC(=O)N/N=C\c1cn(C)c2ccccc12	5129106	BSJFYWGNVTVHET-ZSOIEALJSA-N	245.282	2.258	50	40	BEGB	
C/C(=N/NC(N)=O)C1=CC(C)(C)CCC1	13511934	NRFJQNQOAQLCBA-JYRVWZFOSA-N	209.293	2.167	50	40	BEGB	
O=C1O[C@H](CCl)CN1c1ccccc1	34455563	KARLWXPEKSFFJC-SECBINFHSA-N	211.648	2.251	50	40	BEGB	in-vitro
O/N=C(\CBr)c1ccc(F)cc1	161846	UGORWQMWPIUIGG-DHZHZOJOSA-N	232.052	2.399	50	40	BEGB	
N#C[C@H](O)c1ccc(OC(F)(F)F)cc1	59261661	BCBYIIYTRJSDAW-QMMMGPOBSA-N	217.146	2.142	50	40	BEGB	
CCCCCn1cc(NC(=O)CCl)cn1	2032922431	CMGBAVVYSSXGPF-UHFFFAOYSA-N	229.711	2.251	50	40	BEGB	
Cc1nc(C(=O)Cl)sc1C(=O)Cl	100021346	SYYWIJFVJZJQMX-UHFFFAOYSA-N	224.068	2.210	50	40	BEGB	
NC(=O)N/N=C1/CCCCC12CCCC2	104186035	DRTLNMXEXJNRJX-LCYFTJDESA-N	209.293	2.145	50	40	BEGB	
COC(=O)N/N=C1/CCCc2ccccc21	33893584	NHHOYJFBKAANAZ-QBFSEMIESA-N	218.256	2.083	50	40	BEGB	
COc1c(C)cc([N+](=O)[O-])cc1C(=O)Cl	40545710	VZVZIFLWFZVZJS-UHFFFAOYSA-N	229.619	2.291	50	40	BEGB	
Fc1cccc(Cn2cc(CCl)nn2)c1	52225906	JZPZDQATYGWHCD-UHFFFAOYSA-N	225.654	2.204	50	40	BEGB	
O[C@@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Br	104105546	CSJYFLLSUHDSCX-LNFKQOIKSA-N	239.112	2.396	50	40	BEGB	
Cc1ccccc1[C@H](C)NC(=O)CCl	3394964	NHFCHQWSQVZWAD-VIFPVBQESA-N	211.692	2.411	50	40	BEGB	
F[C@@H](I)C(F)(F)F	63926106	JDAWHMRSFSKYTB-SFOWXEAESA-N	227.926	2.279	50	40	BEGB	
O=C1O[C@@H](Cl)c2cn(-c3ccccc3)nc21	96306027	SEEVVLMWXXFEIQ-SNVBAGLBSA-N	234.642	2.280	50	40	BEGB	
O=C(Cl)c1cnc(Cl)nc1C(F)F	217587332	SYJHQOJJEUOQFE-UHFFFAOYSA-N	226.997	2.447	50	40	BEGB	
CC(C)=NNC(=O)c1ccc(Cl)cc1	260346	XRTAMCWZXKNCCY-UHFFFAOYSA-N	210.664	2.466	50	40	BEGB	
COC(=O)N/N=C/c1c(C)cc(C)cc1C	358341	RFIHCYVNYDGHEX-NTUHNPAUSA-N	220.272	2.302	50	40	BEGB	
O=C([C@@H](Cl)C(F)(F)F)N1CCCCC1	3471173	NWQXWYSHSAXLIU-ZCFIWIBFSA-N	229.629	2.169	50	40	BEGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCOC1=O	195819690	WNRXZIBXHZJOBE-QMMMGPOBSA-N	216.353	2.324	50	40	BEGB	in-vitro
N#C[C@@H](Br)CC(F)(F)F	575454431	UHYQCIQXMJWSMY-VKHMYHEASA-N	201.973	2.226	50	40	BEGB	
CCN(CCCl)c1ccc(CCN)cc1	1763113	JBVYFADATAHFGR-UHFFFAOYSA-N	226.751	2.253	50	40	BEGB	
Nc1ccc(CBr)cc1F	2243165	UWKYHWKAWJPQJE-UHFFFAOYSA-N	204.042	2.303	50	40	BEGB	
NC(=O)N/N=C1/CCC[C@H]1CCc1ccccc1	4696643	FEASVXWIIBWGQL-OFEBGVABSA-N	245.326	2.444	50	40	BEGB	
O=C(N/N=C/Cc1ccccc1)c1ccncc1	5682023	SIBPYHPFKGTMDY-LFIBNONCSA-N	239.278	2.040	50	40	BEGB	
Cc1ccc(O)c(NC(=O)[C@@H](C)Cl)c1	41738263	UPOIUUHEKQDPCN-SSDOTTSWSA-N	213.664	2.266	50	40	BEGB	
C/C(N)=C(\C#N)c1csc(CC(F)(F)F)n1	95963482	AHRPNUNBPCLUBC-WAYWQWQTSA-N	247.245	2.461	50	40	BEGB	
CCc1cc2c(cc1CC)C(=O)OC2=O	165932526	AOAQTWFVCRFMNZ-UHFFFAOYSA-N	204.225	2.122	50	40	BEGB	in-vitro
C[C@@H](C#N)OC[C@@H](Br)C(F)(F)F	1083811083	VDXPHHMHWORQGE-CRCLSJGQSA-N	246.026	2.241	50	40	BEGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1cccs1	4646952	IBUZHAWKTWSTTF-CVFBAYSTSA-N	232.308	2.430	50	40	BEGB	
O=C(CCCl)Nc1ccc([N+](=O)[O-])cc1	5608073	UUMRUNRDCGIWFC-UHFFFAOYSA-N	228.635	2.162	50	40	BEGB	in-vitro
CC(=O)N/N=C\c1c(O)ccc2ccccc12	13966083	VHYUYVYLFTZQFX-ZSOIEALJSA-N	228.251	2.015	50	40	BEGB	
O=NN(CCCl)C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2	4901027	VGFFLHYAQABHTR-VGMNWLOBSA-N	245.710	2.107	50	40	BEGB	
N#CC(C#N)=Cc1cnn(Cc2ccccc2)c1	27121516	WHKBTRQGDPPQPC-UHFFFAOYSA-N	234.262	2.362	50	40	BEGB	
CS(=O)(=O)/C(C#N)=C\c1ccc(Cl)cc1	96021627	SGFVPFPRKVGKGA-POHAHGRESA-N	241.699	2.249	50	40	BEGB	
CC(=O)N/N=C/c1ccc(OCC(C)C)cc1	175294	QOPVYHDTVCYTFD-RIYZIHGNSA-N	234.299	2.191	50	40	BEGB	
C/C=N/NC(=O)c1cccc(Br)c1	4855175	ZSVCOIGRFGCBIB-BIIKFXOESA-N	241.088	2.185	50	40	BEGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(O)cc1	5862205	FNMRCDIWUHLNPV-KBVGCWLLSA-N	244.294	2.464	50	40	BEGB	
CNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12	6184408	XBVBKRJLTWYZFS-JXMROGBWSA-N	239.278	2.129	50	40	BEGB	
ClCCn1nnc(-c2ccc(Cl)cc2)n1	12374766	FPQFPTVMUFXOLD-UHFFFAOYSA-N	243.097	2.232	50	40	BEGB	
Cc1ccsc1/C=N\NC(=O)c1cccnc1	12416867	SBCAAOSEXRZFNR-ZSOIEALJSA-N	245.307	2.215	50	40	BEGB	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Cl	36962951	NTCAEUMLAVILFR-DTWKUNHWSA-N	241.718	2.500	50	40	BEGB	
COc1cc(CBr)cc([N+](=O)[O-])c1	84193195	AXVLGWFXBNZIMX-UHFFFAOYSA-N	246.060	2.498	50	40	BEGB	
N#C/C(=C/Nc1ccccc1)C(=O)CCl	100404750	XZWOZDHDRPGNNZ-HJWRWDBZSA-N	220.659	2.314	50	40	BEGB	
Cc1ccccc1C[C@@H](Br)C(=O)O	1667729	GWTTZWWNWOGUAX-SECBINFHSA-N	243.100	2.386	50	40	BEGB	
ClCc1nc2c3ccccc3ncn2n1	6935915	IZVWFMSFBLBYMW-UHFFFAOYSA-N	218.647	2.016	50	40	BEGB	
C/C(=N/NC(=O)c1ccncc1)c1ccccc1	12472470	KBNUSICRUXGHRJ-WJDWOHSUSA-N	239.278	2.236	50	40	BEGB	
CC(/C=C\c1cccc(C)c1)=N\NC(N)=O	17141579	JCDOLCQVJBXJCP-KOORZVIOSA-N	217.272	2.052	50	40	BEGB	
CCCCc1ccc(C(=O)NN)n1C(C)C	226026903	QYMCXWUYFTZOET-UHFFFAOYSA-N	223.320	2.015	50	40	BEGB	
Fc1ccc(CBr)c(F)n1	238628203	FOPCUOPWDYYXEU-UHFFFAOYSA-N	208.005	2.255	50	40	BEGB	
CC(C)[C@@H](Br)C(=O)N1CCCCC1	19384893	NWPLYOWYQKNZNZ-SECBINFHSA-N	248.164	2.418	50	40	BEGB	in-vitro
Cc1nc2ccc(NC(=O)CCl)cc2o1	162007	XZZHNQRIPFMUHT-UHFFFAOYSA-N	224.647	2.314	50	40	BEGB	
CCN(C(C)=O)c1nc(CN=C=S)cs1	2619112	HEUJMDFETFTSJN-UHFFFAOYSA-N	241.341	2.119	50	40	BEGB	
O=C(CCl)Nc1ccc2ncccc2c1	4992641	KIDJEPGWKAUPNX-UHFFFAOYSA-N	220.659	2.412	50	40	BEGB	
O=C(CCl)c1cc2ccccc2oc1=O	6829871	XUQMGKKDHRKZEP-UHFFFAOYSA-N	222.627	2.215	50	40	BEGB	
CN1[C@H]2CC[C@H]1CC(Br)C2	111336442	ASXOSTZMQJKYRY-YUMQZZPRSA-N	204.111	2.007	50	40	BEGB	
Cc1ccc2c(c1)C(=C(C#N)C#N)CC2=O	169046967	NXFDCVXZHNVIRH-UHFFFAOYSA-N	208.220	2.382	50	40	BEGB	
CCCCc1ccc(C(=O)NN)n1CCCC	226026818	KPYGXHYNYZBTNF-UHFFFAOYSA-N	237.347	2.234	50	40	BEGB	
O=S1(=O)CC[C@H](Cl)c2ccsc21	1398475	DVUJFNYCWZSBJI-LURJTMIESA-N	222.718	2.205	50	40	BEGB	
N#CC(C#N)=C(C#N)Nc1ccc(F)cc1	1587979	DIFYENSAXMZXFH-UHFFFAOYSA-N	212.187	2.062	50	40	BEGB	
COc1ccc2c(c1)NCCC2=C(C#N)C#N	72221190	KLEMJPVMQWOQKT-UHFFFAOYSA-N	225.251	2.312	50	40	BEGB	
ClCc1nnc2ccc(Br)cn12	228961971	MRHWOTXPZBUOPO-UHFFFAOYSA-N	246.495	2.231	50	40	BEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccnc1	241608	BRFXCDOSNZVQAQ-UHFFFAOYSA-N	244.206	2.209	50	40	BEGB	
COCCCN1C(C)=CC(=C(C#N)C#N)C=C1C	3166162	WAGIURKKCCPMTH-UHFFFAOYSA-N	243.310	2.490	50	40	BEGB	
O=C(O)c1cc([N+](=O)[O-])ccc1N=C=S	16385737	HBGDZZXSDUPBNI-UHFFFAOYSA-N	224.197	2.027	50	40	BEGB	
ClCc1csc(-c2ncccn2)n1	36378536	FNBLVIJYQKKYGX-UHFFFAOYSA-N	211.677	2.339	50	40	BEGB	in-vitro
BrCc1n[nH]c2c1CCCC2	72209771	RSZDHAMXKVYTPY-UHFFFAOYSA-N	215.094	2.183	50	40	BEGB	
O=C(CBr)Cc1ccc(F)cc1	84199246	QDJUSRTUXULGIV-UHFFFAOYSA-N	231.064	2.332	50	40	BEGB	
O=C(c1ccncc1)N(CCCl)CCCl	1763107	AMOOBICFNVCAFZ-UHFFFAOYSA-N	247.125	2.001	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/C=C/c1ccccc1	2682473	ZWFPBROZKZOLEQ-UYQSWCAZSA-N	238.290	2.452	50	40	BEGB	
O=C(NN=C1CCCC1)c1ccc(F)cc1	6332174	WFTBMDPXTYCION-UHFFFAOYSA-N	220.247	2.486	50	40	BEGB	
Cc1cccc(-n2cc(CCl)nn2)c1	52225105	DTCPIILCKLYMKR-UHFFFAOYSA-N	207.664	2.315	50	40	BEGB	
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCl	84788686	LVSFXNVPVYTMOZ-VIFPVBQESA-N	239.702	2.348	50	40	BEGB	
C[C@H](F)[C@H](C)I	238449741	FPYZVHUYVYYUAI-IMJSIDKUSA-N	202.010	2.168	50	40	BEGB	
CC[C@H](C)Oc1ccc(/C=N/NC(C)=O)cc1	409010658	CTSJLWVXXSZUSJ-RSYJBZMQSA-N	234.299	2.334	50	40	BEGB	
CCCC1CCC(=C(C#N)C(N)=O)CC1	370508	POIYWECMXXIMQT-UHFFFAOYSA-N	206.289	2.282	50	40	BEGB	
CC(=O)N/N=C/c1ccc(Cl)cc1Cl	3140712	KOILOACRBBDOAY-LFYBBSHMSA-N	231.082	2.463	50	40	BEGB	
CC(=O)N/N=C/c1c(C)cc(C)cc1C	6188587	IBSLVKLXZRXTIW-NTUHNPAUSA-N	204.273	2.082	50	40	BEGB	
O=C(CCl)c1ccc(NC(=O)C2CC2)cc1	9420144	CYBAPHNVUUSOQZ-UHFFFAOYSA-N	237.686	2.457	50	40	BEGB	
O=C(CCl)Nc1ccccc1N1CCCC1	11535748	HKAGMUKUGRWHBF-UHFFFAOYSA-N	238.718	2.464	50	40	BEGB	
C[C@@H](C1CC1)n1nccc1NC=C(C#N)C#N	15241776	LVONOJRIVVVSCI-VIFPVBQESA-N	227.271	2.197	50	40	BEGB	
Cc1ccc([C@H](O)CBr)cc1	36222332	PFFFYUUCYZSKRI-SECBINFHSA-N	215.090	2.423	50	40	BEGB	
CN1c2ccccc2[C@H]2C=C(C=O)C=C[C@@H]21	95098622	PYFGQYUCBXXFMR-OCCSQVGLSA-N	211.264	2.284	50	40	BEGB	
O=C1C2CCC(CC2)[C@H]1Br	217624944	VCIXQTDRKMRUNO-KPGICGJXSA-N	203.079	2.139	50	40	BEGB	
C[C@@H](Br)C(=O)OCC(C)(C)C	1571075	FSEZYMCROKYKBK-ZCFIWIBFSA-N	223.110	2.359	50	40	BEGB	
CC1CCN(C(=O)[C@@H](C)Br)CC1	41710131	SKIWGQTVBFUANB-MRVPVSSYSA-N	234.137	2.028	50	40	BEGB	
CN(C)C1CCC(Br)CC1	79436911	YYNPBWVCXRESJT-UHFFFAOYSA-N	206.127	2.254	50	40	BEGB	in-vitro
O=C(CCl)OCCCc1ccccc1	1687386	HTTWQUXWZPNKIN-UHFFFAOYSA-N	212.676	2.401	50	40	BEGB	
CC(C)(Cc1ccccc1)NC(=O)CCl	2507205	MALXEKZIWSJFBN-UHFFFAOYSA-N	225.719	2.363	50	40	BEGB	
ClCc1noc(Cc2ccccc2)n1	26513812	XECLIXXHUYTYJD-UHFFFAOYSA-N	208.648	2.399	50	40	BEGB	in-vitro
CCCc1[nH]nc2c1[C@@H](C(C)C)C(C#N)=C(N)O2	32534244	UHAUQFUXQAABEO-JTQLQIEISA-N	246.314	2.188	50	40	BEGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1C#N	72238893	GGFSNMXOBPSKEC-UHFFFAOYSA-N	245.245	2.175	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)CC(C)C)o1	2742844	VRDGCSKJZJQJSK-KPKJPENVSA-N	208.261	2.084	50	40	BEGB	
COCCOCCO[C@H]1CCCC[C@@H]1Cl	5511783	VLIHEPDFFJTCON-QWRGUYRKSA-N	236.739	2.216	50	40	BEGB	
C[C@@H](Br)c1ccc(C#N)cn1	148941880	RKHOBFIUGKHINZ-ZCFIWIBFSA-N	211.062	2.409	50	40	BEGB	
Cc1ccc2c(C(=O)C(=O)Cl)c[nH]c2c1	199745735	FVELJKVORCPYSW-UHFFFAOYSA-N	221.643	2.424	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccco2)s1	56195	FNCRGIMKQQFPFT-KPKJPENVSA-N	234.280	2.413	50	40	BEGB	
CC(C)(NCCCl)C(=O)c1ccccc1	1602519	WNPCWYZOCCTTEE-UHFFFAOYSA-N	225.719	2.476	50	40	BEGB	
NC(=O)N/N=C1\CCCCC12CCCC2	5368852	DRTLNMXEXJNRJX-UKTHLTGXSA-N	209.293	2.145	50	40	BEGB	
CC(=O)OC[C@](C)(C(=O)Cl)c1ccccc1	5664161	SZFABOSRLQNUBG-LBPRGKRZSA-N	240.686	2.273	50	40	BEGB	
CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1	1857777471	YVACJZRCOWZWPY-UHFFFAOYSA-N	246.222	2.065	50	40	BEGB	
COC(=O)C[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	1857793519	FTXIHYWXXCEXEJ-SECBINFHSA-N	243.646	2.438	50	40	BEGB	
CN(C)CCCSSCCCN(C)C	1691457	IMSAAVCZIMPAKT-UHFFFAOYSA-N	236.450	2.271	50	40	BEGB	
Cc1csc(NC(=O)CCCl)n1	5669761	YDNMSOYYGBLIBO-UHFFFAOYSA-N	204.682	2.019	50	40	BEGB	
Cc1ccccc1CNC(=O)[C@@H](C)Cl	37389529	FDPIBKCVWXAKHK-SECBINFHSA-N	211.692	2.239	50	40	BEGB	in-vitro
Cc1csc(NC(=O)CCl)c1C#N	159906	FBZRNYTVQPSPNH-UHFFFAOYSA-N	214.677	2.106	50	40	BEGB	
O=C(O)[C@@H]1CCCC[C@H]1Br	1621877	NDMRQGSTDXPLEP-PHDIDXHHSA-N	207.067	2.025	50	40	BEGB	
C[C@@H](COc1ccccc1)OC(=O)CCl	2037028	MZOAKFUQWZMKNF-VIFPVBQESA-N	228.675	2.236	50	40	BEGB	
CCCCNC(=O)NNc1ccc(C)cc1	5419728	OQYJCPVDQHXIIL-UHFFFAOYSA-N	221.304	2.421	50	40	BEGB	
CC(C)CC(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12	5906980	XJUPDZASDXCRDZ-JTXQECCPSA-N	206.289	2.101	50	40	BEGB	
ClCc1noc(Cc2ccsc2)n1	12984548	AZQWFGYYEHWRPZ-UHFFFAOYSA-N	214.677	2.461	50	40	BEGB	
O=C(CCl)N(C1CCCC1)C1CC1	62146609	NAMWZNFVPBYWOH-UHFFFAOYSA-N	201.697	2.159	50	40	BEGB	in-vitro
O=C(NCCCl)N[C@@H]1CCc2ccccc21	5160629	PIYKOGHGUHCXDC-LLVKDONJSA-N	238.718	2.212	50	40	BEGB	
CCOC(=O)c1cn2cc(CCl)ccc2n1	34504806	ZADDTQOLCRJIJA-UHFFFAOYSA-N	238.674	2.250	50	40	BEGB	
COC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	97990449	KESLSYXTTGEQHJ-WDZFZDKYSA-N	231.251	2.089	50	40	BEGB	
CC(=O)N/N=C1/C[C@H]2CC[C@]1(C)C2(C)C	101461173	FFTKQXMPLXIUPM-HUQWWODASA-N	208.305	2.325	50	40	BEGB	
O=N[C@H]1[C@@H](Br)[C@H]2C=C[C@H]1C2	104100156	CCBBPMCQJUZJQU-ZTYPAOSTSA-N	202.051	2.091	50	40	BEGB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCl	132728593	VOGXPAGXQBJKJJ-UHFFFAOYSA-N	242.662	2.389	50	40	BEGB	
CCOc1ccc(OC(=O)CCl)cc1	4218490	QTPPIUMBDOFCBM-UHFFFAOYSA-N	214.648	2.230	50	40	BEGB	
O=C(Cl)c1cnn(-c2ccccc2)c1	20248483	CMUHIEKMPFWFSV-UHFFFAOYSA-N	206.632	2.251	50	40	BEGB	
CC(C)CN(C)c1cncc(N=C=O)c1	536949896	DNTYNFUVDAYDRB-UHFFFAOYSA-N	205.261	2.141	50	40	BEGB	
Cc1ccccc1NC(=O)CSC#N	1606526	XMUDPKGERVDOCG-UHFFFAOYSA-N	206.270	2.148	50	40	BEGB	
CCOC(=O)N/N=C\c1ccc(Cl)s1	5198843	OIIHTKNCBDILBG-YHYXMXQVSA-N	232.692	2.482	50	40	BEGB	
C/C(=N/NC(=O)[C@@H]1CCCO1)c1ccc(C)cc1	17024178	ZNIKCUNXKVXLEH-WZMONFQBSA-N	246.310	2.014	50	40	BEGB	
C[C@H]1CCCC[C@@H]1N(C)C(=O)CCl	37654102	BOYKEHUDPWIENY-IUCAKERBSA-N	203.713	2.262	50	40	BEGB	in-vitro
O=C1OC(=O)[C@H]2[C@@H]1CC=C[C@@H]2c1ccccc1	95817428	SISNVYGRWPGDFF-GRYCIOLGSA-N	228.247	2.046	50	40	BEGB	
CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	100947730	IHLZMAMVGXEIGC-IYKVGLELSA-N	234.295	2.170	50	40	BEGB	
COC(=O)c1ccccc1C[C@@H](Cl)C#N	107395	PPAPNIYANHJQHT-SECBINFHSA-N	223.659	2.147	50	40	BEGB	
CCN(CC)c1ccc(/C=N/NC(=O)OC)cc1	491933	NZNZDDGTXFFLBU-GXDHUFHOSA-N	249.314	2.223	50	40	BEGB	
C[C@H](Cl)C(=O)N[C@H](C)c1ccccc1	2649897	QSGXOZATHLLEEQ-DTWKUNHWSA-N	211.692	2.491	50	40	BEGB	
CC1CCN(C(=O)CCBr)CC1	41698264	XBMHQJHTRKDSTF-UHFFFAOYSA-N	234.137	2.030	50	40	BEGB	
Cc1ccc(C(=O)/C(C#N)=C/N(C)C)cc1C	2507529	DVJLHUYEQFNZOF-UKTHLTGXSA-N	228.295	2.455	50	40	BEGB	
COc1cc(OC)c(CCl)c(OC)c1	37376780	VKXFEGKXRSNKTP-UHFFFAOYSA-N	216.664	2.451	50	40	BEGB	
COc1cc(Cl)cc(C=C(C#N)C#N)c1O	16195015	YDCWIDUMYYGKQM-UHFFFAOYSA-N	234.642	2.485	50	40	BEGB	
COc1ccc(C#CCCl)cc1OC	37470638	TVIVJPDMGZICDB-UHFFFAOYSA-N	210.660	2.294	50	40	BEGB	
COc1ccc(CC(=O)Cl)cc1F	40538536	SECNUBJAIBASRL-UHFFFAOYSA-N	202.612	2.142	50	40	BEGB	
O=c1cc(C2CCCC2)nc(CCl)[nH]1	96525776	UHBHTMRRPWRUMJ-UHFFFAOYSA-N	212.680	2.166	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccncc1	102585148	PAOAASVTCLOHOA-CJFFUSRVSA-N	243.310	2.233	50	40	BEGB	
O=C1c2ccc(F)cc2O[C@@H]1Br	103571522	PHDSNZATGKPQSG-QMMMGPOBSA-N	231.020	2.122	50	40	BEGB	
COc1cccc(-n2cnnc2CCl)c1	149848591	XSTHVLVRZABYSS-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
Cc1cc(CBr)cnc1F	199793528	KKNYKCLYPUDOKK-UHFFFAOYSA-N	204.042	2.424	50	40	BEGB	
COc1ccccc1NC(=O)[C@@H](C)Cl	3372965	PWLPMOQFUUOQQC-SSDOTTSWSA-N	213.664	2.261	50	40	BEGB	
CCc1oc2ccccc2c1/C=C(\C#N)C(N)=O	8198608	GUKAFUGVAAVXCE-VQHVLOKHSA-N	240.262	2.387	50	40	BEGB	
O=C(N/N=C/c1ccoc1)c1ccccc1F	15933938	JDMVCHAAXMUCIP-VGOFMYFVSA-N	232.214	2.183	50	40	BEGB	
Cc1cccc(OCCCNC(=O)CCl)c1	41285852	XZMZTDATHUAECR-UHFFFAOYSA-N	241.718	2.119	50	40	BEGB	in-vitro
CC1=NN=C(C)C1CCBr	95883390	CFBKBOVJGKNERB-UHFFFAOYSA-N	203.083	2.238	50	40	BEGB	
CCOC(=O)[C@H](Cl)Cc1ccccc1	1597761	UWZLUCLOMBQPFR-SNVBAGLBSA-N	212.676	2.400	50	40	BEGB	
CCCCS(=O)(=O)CCCCCl	15109441	RTYRSHZWXJCWSS-UHFFFAOYSA-N	212.742	2.220	50	40	BEGB	
CC(C)C(=O)N/N=C/C=C/c1ccccc1	18194439	IKRLBRGQRKGQPB-UYQSWCAZSA-N	216.284	2.458	50	40	BEGB	
O=C(CCl)NCc1ccc(F)c(Cl)c1	53155678	NSZGDKPAGUUWHK-UHFFFAOYSA-N	236.073	2.334	50	40	BEGB	
Cc1ccccc1/C=N/NC(=O)c1cccnc1	253892	UPVOAIFHOIEBDQ-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
ClC[C@H](Cl)CNC[C@@H](Cl)CCl	1675264	OTQRTHJORYSENK-WDSKDSINSA-N	238.973	2.268	50	40	BEGB	
CC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	5283456	IQRDNQSSRYSOKW-UUILKARUSA-N	247.081	2.169	50	40	BEGB	
CCO[C@@H](C)C(=O)NNc1cccc(Cl)c1	65513695	NDYFNKZZVIGEOY-QMMMGPOBSA-N	242.706	2.208	50	40	BEGB	
CCOC(=O)[C@H](Cl)[C@@](C)(O)c1ccccc1	1702318	PKNSTKFOOAFKHC-JQWIXIFHSA-N	242.702	2.065	50	40	BEGB	
C/C=C/CC/C(=N\NC(N)=O)c1ccccc1	17430028	SPVDEMVQYOTTCF-WOAIBIRPSA-N	231.299	2.415	50	40	BEGB	
CC(C)[C@@H]1CC[C@@H](C)C/C1=N/NC(N)=O	100365441	QWQKGHCCVVXGRH-JIBFJXAJSA-N	211.309	2.103	50	40	BEGB	
CCC(=O)Nc1ccc(C(=O)NN=C(C)C)cc1	353822	RWKIWTJDJMKXDJ-UHFFFAOYSA-N	247.298	2.161	50	40	BEGB	
O=C(NNC(=O)C1CCCCC1)c1ccccc1	512393	OKFSKJFDDZVDQV-UHFFFAOYSA-N	246.310	2.028	50	40	BEGB	
CCCCCOC(=O)[C@@H](C)SC#N	1591800	PZTYPGZCKTWAAV-MRVPVSSYSA-N	201.291	2.323	50	40	BEGB	
Cc1cccc(C[C@@H](Br)C(=O)O)c1	1667730	CVHXNIZMJVFQGZ-SECBINFHSA-N	243.100	2.386	50	40	BEGB	
C/C(=N\NC(=O)c1cccs1)c1ccccn1	5621224	XCTQTENDCDCNDU-NTEUORMPSA-N	245.307	2.297	50	40	BEGB	
Cc1nc(NC(=O)[C@@H](C)Cl)sc1C	35186620	OZEDIFZCRIZLKA-SCSAIBSYSA-N	218.709	2.326	50	40	BEGB	in-vitro
C[C@H](NC(=O)CCl)[C@H]1C[C@@H]2CC[C@@H]1C2	100093523	LARFYGYUBWEGFA-SGIHWFKDSA-N	215.724	2.166	50	40	BEGB	
O=C(CCl)Nc1cccc2cccnc12	152647	ILSCGIHFKLZTME-UHFFFAOYSA-N	220.659	2.412	50	40	BEGB	
O=C(CCCl)Oc1ccc([N+](=O)[O-])cc1	1847227	ARMSMFUGMQBDNN-UHFFFAOYSA-N	229.619	2.129	50	40	BEGB	
BrCc1ccc2c(c1)OCCO2	34963014	DQYOHFCVPNOXQQ-UHFFFAOYSA-N	229.073	2.353	50	40	BEGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccoc1	83315185	HKFPQNKLSTYOAD-NVNXTCNLSA-N	246.241	2.112	50	40	BEGB	
N#C/C=C(/N)c1ccc(Br)cc1	100305322	AHDJAZMPXGPTEA-WEVVVXLNSA-N	223.073	2.272	50	40	BEGB	
CCOC(=O)/C(O)=C(\C#N)c1cccs1	100913851	XWNAZWCHBHOWJO-CLFYSBASSA-N	223.253	2.104	50	40	BEGB	
O=[N+]([O-])c1ccc(C2=NO[C@H](CCl)C2)cc1	217846655	VONDILGSEQKYDY-VIFPVBQESA-N	240.646	2.327	50	40	BEGB	
NNC(=O)Cc1ccc(Cl)c2ccccc12	1733062	MRKYMHZXZXUAIA-UHFFFAOYSA-N	234.686	2.026	50	40	BEGB	
N#CC(C#N)=Cc1c(Cl)nc2sccn12	3194997	QMMXYRVHRLLEKN-UHFFFAOYSA-N	234.671	2.480	50	40	BEGB	
CCC/C=N/NC(=O)c1ccc(OC)cc1	5455324	HROUUQHDXOUJJE-UKTHLTGXSA-N	220.272	2.211	50	40	BEGB	
O=C1c2ccc(Cl)nc2CC[C@H]1Cl	169805085	NEGSSDIASSTAEU-ZCFIWIBFSA-N	216.067	2.471	50	40	BEGB	
N#C/C(=C\c1cccc(F)c1)C(N)=S	306322409	JSAFGRIPIYSGIP-XBXARRHUSA-N	206.245	2.019	50	40	BEGB	
O=C(OCCl)Oc1ccc([N+](=O)[O-])cc1	160224	PDTWCUYBIVJSTL-UHFFFAOYSA-N	231.591	2.307	50	40	BEGB	in-vitro
CCN(CC)NC(=O)Nc1ccccc1	329176	ADOCDMSSTUOPFA-UHFFFAOYSA-N	207.277	2.065	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(C)cc1	1713006	BDIWUZZGKFHBKJ-XYOKQWHBSA-N	206.245	2.075	50	40	BEGB	
NC(=O)N/N=C1/CCC[C@@H]1CCc1ccccc1	4696644	FEASVXWIIBWGQL-CZWGUHTPSA-N	245.326	2.444	50	40	BEGB	
O=C(O)c1cc(CBr)ccc1F	44227116	VSGODVJOLOLNMX-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	
Br[C@H]1CCC[C@@H](Br)N1	100232823	KUJVSBNVZUZOMF-SYDPRGILSA-N	242.942	2.202	50	40	BEGB	
CCOC(=O)N1[C@H]2CC[C@H]1CC(Cl)C2	100764959	PIOHVUUHUMIKKQ-IUCAKERBSA-N	217.696	2.377	50	40	BEGB	
CCCC(=O)OC(=O)c1ccc(N(C)C)cc1	145249683	OYPWLYABUYXGCR-UHFFFAOYSA-N	235.283	2.236	50	40	BEGB	
O=C1N[C@H](Cc2ccc3ccccc3c2)C(=O)O1	1772715043	VNCCQSJPZUPNPD-GFCCVEGCSA-N	241.246	2.017	50	40	BEGB	
CCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5686236	GEZUBMDKXSLRTA-GMSGAONNSA-N	246.314	2.324	50	40	BEGB	
CC1CCC(NC(=O)C(Cl)Cl)CC1	6263600	SUGBUOPWQSJFFV-UHFFFAOYSA-N	224.131	2.485	50	40	BEGB	
CC(=O)Nc1ccc([N+](=O)[O-])cc1CCl	34936196	VHPGMKICIWBSFK-UHFFFAOYSA-N	228.635	2.292	50	40	BEGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(N)=O	42526	XLEXVFCXCZKVRX-CLTKARDFSA-N	241.077	2.386	50	40	BEGB	
CCOC(=O)/C(C#N)=C1\CCC=C(C)C1	1716466	QAIZEEDYXHQEKV-ZHACJKMWSA-N	205.257	2.500	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)C(F)(F)F)cc1	2763764	VOHFPPIBPRIQRA-MKMNVTDBSA-N	230.189	2.007	50	40	BEGB	
CCOC(=O)C(C#N)=Cc1ccccc1F	1857793017	HAYFYQCUACVOEL-UHFFFAOYSA-N	219.215	2.296	50	40	BEGB	
CCc1ccc(CC(C)(C)/C=N/NC(N)=O)cc1	4616988	KUTSSUGHGAOQST-MHWRWJLKSA-N	247.342	2.472	50	40	BEGB	
CC(C)C/C(Cc1ccccc1)=N\NC(N)=O	4701369	DWYAWTRNAAOSPG-NTCAYCPXSA-N	233.315	2.300	50	40	BEGB	
Cc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1	5277225	NYJRDDXGSIKQHI-UHFFFAOYSA-N	228.635	2.081	50	40	BEGB	
CC1=C(/C=N\NC(N)=O)[C@H](C)c2ccccc21	33368529	PRCIILUEVISNEC-YCAXJWCXSA-N	229.283	2.231	50	40	BEGB	
Cc1ccc(CNC(=O)CCl)cc1C	41694796	DMXMTYHOMMQRFF-UHFFFAOYSA-N	211.692	2.158	50	40	BEGB	
N#CCC(=O)N/N=C/c1cccc2ccccc12	20248259	BXCFIFRMOMWLDS-MHWRWJLKSA-N	237.262	2.204	50	40	BEGB	
CN(C)[C@H](Br)C(=O)c1ccccc1	31924389	AYQAIGJLXPTLMV-JTQLQIEISA-N	242.116	2.152	50	40	BEGB	
CCn1cc(/C=C(\C#N)C(N)=O)c2ccccc21	12341317	YDHIJRAGFACLHY-JXMROGBWSA-N	239.278	2.053	50	40	BEGB	
Cc1cccc(-n2c(C)cc(C(=O)NN)c2C)c1	223700647	PGYGWJGNZGTKDL-UHFFFAOYSA-N	243.310	2.006	50	40	BEGB	
N#C/C(=C\c1cccs1)C(=O)N1CCCC1	143901	BQNAJHCQRYNJAQ-CSKARUKUSA-N	232.308	2.277	50	40	BEGB	
CC(C)NC[C@@H](C)CCBr	1641747	GTGAZNWHTWVRRN-QMMMGPOBSA-N	208.143	2.406	50	40	BEGB	
CCOC(=O)NN(CC)c1ccccc1	1661319	JPXNCCJPSUCIRB-UHFFFAOYSA-N	208.261	2.174	50	40	BEGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccccn1	5705236	JAXXAAXIWYRAPL-KBVGCWLLSA-N	229.283	2.154	50	40	BEGB	
CCOc1ccc(O)c(C(=O)CCl)c1	71455084	CQWMDWLKWPMQIT-UHFFFAOYSA-N	214.648	2.212	50	40	BEGB	
N#CC(C#N)=CNc1ccc(Cl)cn1	32394	BZDDSXJFBPKUCS-UHFFFAOYSA-N	204.620	2.078	50	40	BEGB	
C[C@@H](NC(=O)CCl)c1cccs1	3445780	VRCUYEBCUHAHLH-ZCFIWIBFSA-N	203.694	2.164	50	40	BEGB	in-vitro
COC(=O)N/N=C/c1ccccc1C(F)(F)F	6126140	MSQVZOFAOFTVDP-MKMNVTDBSA-N	246.188	2.395	50	40	BEGB	
O=C(Cl)/C=C\c1ccc([N+](=O)[O-])cc1	17061491	RUPXNPWALFDXJD-UTCJRWHESA-N	211.604	2.373	50	40	BEGB	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Cl	36962949	NTCAEUMLAVILFR-RKDXNWHRSA-N	241.718	2.500	50	40	BEGB	
CCOC(=O)N/N=C\c1c[nH]c2ccccc12	59602260	VBGDKFQXGPPXFG-ZSOIEALJSA-N	231.255	2.248	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccc(C)o1	2748567	NRJDTWFJENANDS-XYOKQWHBSA-N	208.261	2.228	50	40	BEGB	
O=S(=O)(CCCCl)c1ccccc1	19788694	YRFGJZXFUZOMGX-UHFFFAOYSA-N	218.705	2.089	50	40	BEGB	
O=C(Cl)[C@H]1CCc2cc(F)ccc2O1	34547813	ZLMSEDWVBPGXTM-SECBINFHSA-N	214.623	2.285	50	40	BEGB	
C[C@@H](Br)Cc1nccs1	63044357	MKJRZTZMCXBRQU-RXMQYKEDSA-N	206.108	2.469	50	40	BEGB	
BrCCCc1ccccn1	83951773	OIGMBHOOSLOILA-UHFFFAOYSA-N	200.079	2.409	50	40	BEGB	in-vitro
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccncc1	5670109	PAOAASVTCLOHOA-RROSRXPJSA-N	243.310	2.233	50	40	BEGB	
COc1ccc2nc(CCl)ncc2c1	307523211	CUBIPBORTIHSKD-UHFFFAOYSA-N	208.648	2.377	50	40	BEGB	
CS/C(=C\C#N)NCc1ccccc1N	6187560	UJHBBZYMNDFUBN-WDZFZDKYSA-N	219.313	2.086	50	40	BEGB	
Cc1ccc(C(=O)CBr)o1	38271650	TWJPAIWNJRAWKH-UHFFFAOYSA-N	203.035	2.166	50	40	BEGB	
COc1cccc([N+](=O)[O-])c1CBr	6019110	QWZQICKUZAGVFN-UHFFFAOYSA-N	246.060	2.498	50	40	BEGB	
Cc1c([N+](=O)[O-])cc(C(=O)Cl)cc1[N+](=O)[O-]	1687552	JWJRUUJJIOXOQH-UHFFFAOYSA-N	244.590	2.190	50	40	BEGB	
CCOc1ccccc1/C=C(\C#N)C(N)=S	1925580	VCPKZXQORPFWND-JXMROGBWSA-N	232.308	2.278	50	40	BEGB	
C/C(=N/NC(N)=O)c1ccc(Cl)c(Cl)c1	5220842	RNPCDQNIIZVNNZ-ACAGNQJTSA-N	246.097	2.386	50	40	BEGB	
ClC[C@H]1CO[C@@H]([C@H]2C[C@@H]3C=C[C@@H]2C3)O1	100927053	IMAZNHMBJHURDA-SAVGLBRCSA-N	214.692	2.179	50	40	BEGB	
Fc1cccc(Cn2cnnc2CCl)c1	149852049	KBHKUFXIFSIWMB-UHFFFAOYSA-N	225.654	2.204	50	40	BEGB	
Cc1cc(C(F)(F)F)nn1CCCl	95098460	KHCOEXQDDZHYED-UHFFFAOYSA-N	212.602	2.449	50	40	BEGB	
N#CC1=CN=C2Sc3ccccc3N[C@H]2C1=N	1505840595	XFDMLQKECFJYTC-NSHDSACASA-N	240.291	2.412	50	40	BEGB	
O=C(NC1CC1)[C@@H](Cl)c1ccccc1	4206778	NWXIWIFEVYUKJT-JTQLQIEISA-N	209.676	2.245	50	40	BEGB	in-vitro
CCC(/C=N/NC(N)=O)=C\c1ccccc1	4599146	MHQNWKCSSPCNQT-CNVSOXPZSA-N	217.272	2.134	50	40	BEGB	
S=C=Nc1ccc(Cn2cncn2)cc1	15417793	MLLIBSFJKAJHKD-UHFFFAOYSA-N	216.269	2.061	50	40	BEGB	
COc1cc(CBr)ccc1[N+](=O)[O-]	39255479	ZDMISTLJKQDGTB-UHFFFAOYSA-N	246.060	2.498	50	40	BEGB	in-vitro
BrCc1noc2ncccc12	51951618	KCQCCDUUKPNJOQ-UHFFFAOYSA-N	213.034	2.118	50	40	BEGB	in-vitro
Oc1ccccc1-c1noc(CCl)n1	100006914	JWQIETXHXBMYPY-UHFFFAOYSA-N	210.620	2.181	50	40	BEGB	
O=C=Nc1cc(C(=O)Cl)cc(C(=O)Cl)c1	114789924	QYAMZFPPWQRILI-UHFFFAOYSA-N	244.033	2.412	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3887331	ZIXQXLMDSBTRAE-YFKPBYRVSA-N	246.625	2.300	50	40	BEGB	
Cc1oc(NC(=O)[C@@H](C)Cl)c(C#N)c1C	68580996	BDXXYIKLFKYROR-ZCFIWIBFSA-N	226.663	2.334	50	40	BEGB	in-vitro
Cc1ccc(C[C@@H](Br)C(=O)O)cc1	77391809	PEXAMVGPCDOBIV-SECBINFHSA-N	243.100	2.386	50	40	BEGB	
Cc1ccsc1/C=N\NC(=O)C(C)C	83259615	ZWIJVKGSGYNATQ-WDZFZDKYSA-N	210.302	2.163	50	40	BEGB	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(N)=S	408544220	UGFFYUHHSZEHMG-XVNBXDOJSA-N	238.699	2.239	50	40	BEGB	
CC(C)=NNC(=O)CSCc1ccccc1	408782018	GMAQQWNVMAZKRC-UHFFFAOYSA-N	236.340	2.432	50	40	BEGB	
N#CC(C#N)=Cc1ccc2c(c1)O[C@@H](Cl)O2	1639043	HECLSTDDTVREDK-NSHDSACASA-N	232.626	2.411	50	40	BEGB	
CC(C)(C)C(=O)C/C=N/NC(=O)c1ccccc1	5379490	SKONIWXLHFPHRD-XNTDXEJSSA-N	246.310	2.408	50	40	BEGB	
O=C(CCCCl)Nc1ccc2c(c1)OCO2	6335389	DYWUTDRBTMAETQ-UHFFFAOYSA-N	241.674	2.373	50	40	BEGB	
O=C(Cl)c1cc(-n2cnnc2)ccc1Cl	70461727	STOLTQLEWKJENH-UHFFFAOYSA-N	242.065	2.300	50	40	BEGB	
C=CCOC[C@H](CCl)OC(=O)CCC	1583978	YYFNDQGOXHSBOB-VIFPVBQESA-N	220.696	2.140	50	40	BEGB	
C[C@@H](Cl)C(=O)c1ccc2c(c1)OCCO2	4985977	NJMIQSNDSHMLOH-SSDOTTSWSA-N	226.659	2.268	50	40	BEGB	
N#CSc1cc(C(=O)O)c(O)cc1Cl	45957399	HYLPAHQNKBCGNL-UHFFFAOYSA-N	229.644	2.317	50	40	BEGB	
CC[N+](CC)(CC)CCBr	1687871	DIYWEKFGDRTGSJ-UHFFFAOYSA-N	209.151	2.258	50	40	BEGB	
O=C(O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	5048723	YOBWYLCYNUIVKF-VMHSAVOQSA-N	219.078	2.025	50	40	BEGB	in-vitro
CCCCCCC(=O)NNC(=O)NCCCC	16972817	VKNVCZJUYCFOTG-UHFFFAOYSA-N	243.351	2.087	50	40	BEGB	
CC(=O)c1cccc(NC(=O)CSC#N)c1	226233852	BSEUTKXNTGOMGE-UHFFFAOYSA-N	234.280	2.042	50	40	BEGB	
CCOC(=O)CCCC[C@@H](O)CCCl	2039988	YSFJHUHDLIFMPB-SECBINFHSA-N	222.712	2.100	50	40	BEGB	
CN1/C(=C(\C#N)C=O)C(C)(C)c2ccccc21	3164952	FSNRHUFUPQFMBI-JLHYYAGUSA-N	226.279	2.391	50	40	BEGB	
CC(C)NNC(=O)CCCc1ccccc1	5381277	ZZXPULWELUDEBS-UHFFFAOYSA-N	220.316	2.039	50	40	BEGB	
O=C(Cl)c1cn(-c2ccc(Cl)cc2)nn1	85345167	SIQVRHSCRJZTPY-UHFFFAOYSA-N	242.065	2.300	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)c2ccccn2)s1	13113641	MMKIBXLZUXTSKE-ZSOIEALJSA-N	245.307	2.215	50	40	BEGB	
CC1(C)[C@@]2(N)CC[C@@]1(C)[C@H]2Br	103708353	BMTYUXQSZCZYBW-BWVDBABLSA-N	218.138	2.287	50	40	BEGB	
O=C(NNCc1ccccc1)c1ccccc1	1682301	UOGSXSYDMMKSAB-UHFFFAOYSA-N	226.279	2.121	50	40	BEGB	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)cc1	13764744	JRHAWGHLTNCWDD-XFXZXTDPSA-N	243.262	2.331	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccccc1OC	50977865	KCRSTPVSWXALIN-VIFPVBQESA-N	214.648	2.148	50	40	BEGB	
CC1=Nc2ccccc2NC(=O)[C@H]1Cl	103015526	DLFNESQUMKGPQM-VIFPVBQESA-N	208.648	2.339	50	40	BEGB	
C[C@@H](F)[C@@H](C)I	238381404	FPYZVHUYVYYUAI-QWWZWVQMSA-N	202.010	2.168	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1cccc(F)c1	311272	KRAONHPSLKXRMO-UXBLZVDNSA-N	219.215	2.296	50	40	BEGB	
CCOC(=O)/C(C#N)=C(/C)c1ccccc1O	1612467	XRULGEOQRYPCDU-LUAWRHEFSA-N	231.251	2.252	50	40	BEGB	
Cc1nn(-c2ccc(F)cc2)nc1C(=O)Cl	45920318	YBWRLBBTSLBGAG-UHFFFAOYSA-N	239.637	2.094	50	40	BEGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(N)=S	3056378	YGJSREKVWCOLRY-YVMONPNESA-N	227.292	2.361	50	40	BEGB	
Cc1ccc(-c2ccsc2C(=O)NN)cc1	4218227	SGXAXHVXLHKMQK-UHFFFAOYSA-N	232.308	2.327	50	40	BEGB	
BrC[C@@H]1NCCc2ccccc21	16697071	IUHXMWQLNAFUOA-JTQLQIEISA-N	226.117	2.268	50	40	BEGB	
CCOC[C@H](Cl)C(OCC)OCC	1562424	WEGSOVKZMZPKLO-QMMMGPOBSA-N	210.701	2.029	50	40	BEGB	
O=c1[nH]c2ccccc2nc1C(Cl)Cl	1756636	LODSFEKVAUMRHO-UHFFFAOYSA-N	229.066	2.399	50	40	BEGB	
IC[C@H]1CCCCCO1	14983055	GGGYXZYJTQDNEZ-SSDOTTSWSA-N	240.084	2.381	50	40	BEGB	
CC/C(C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	112598	JPFZCQZLHSQFPA-WQLSENKSSA-N	235.243	2.111	50	40	BEGB	
N#C/C(=C/c1c(Cl)cccc1Cl)C(N)=O	143900	COVHOFUKHXKEHE-XQRVVYSFSA-N	241.077	2.386	50	40	BEGB	
NC(=O)N/N=C1/CCCCCCC[C@@H]2C[C@@H]12	4664677	JTXTZAHECBFCCD-IUVOVWGLSA-N	223.320	2.391	50	40	BEGB	
O=C(CCl)N1CCC[C@@H](C(F)(F)F)C1	37492188	FUQMJOAWCZVPQW-ZCFIWIBFSA-N	229.629	2.026	50	40	BEGB	in-vitro
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@@H]12	100149453	QVZKCYULUXLGPJ-UJPOAAIJSA-N	242.274	2.126	50	40	BEGB	
C/C(=N\NC(N)=O)C1=CC(C)(C)CCC1	4600452	NRFJQNQOAQLCBA-MDWZMJQESA-N	209.293	2.167	50	40	BEGB	
N#Cc1ccc(/C=N/NC(=O)c2ccccc2)cc1	62692	IBZSGIJCVOAPFO-GZTJUZNOSA-N	249.273	2.322	50	40	BEGB	
N#CSCc1cc([N+](=O)[O-])ccc1O	90367309	UJQPFKJEDQKYEF-UHFFFAOYSA-N	210.214	2.015	50	40	BEGB	
Cl[C@@H]1O[C@H](Cl)[C@@H](Cl)O[C@@H]1Cl	100368588	YLVGPWIKMNWIOD-LLEIAEIESA-N	225.886	2.293	50	40	BEGB	
C/C(=N\NC(=O)CC#N)c1ccc(C)cc1C	5277151	OXFRBYPTLQZWSC-RVDMUPIBSA-N	229.283	2.057	50	40	BEGB	
CC(/C=C\c1ccc(Cl)cc1)=N/NC(N)=O	17142733	UBQZSMHZGXEIDH-YPLIVXAASA-N	237.690	2.397	50	40	BEGB	
Cc1occc1C(=O)/C(C#N)=C/c1cnn(C)c1	26395344	RWYBLBBMPWYGMD-VZUCSPMQSA-N	241.250	2.111	50	40	BEGB	
O=C(CCl)NCCOc1cccc(Cl)c1	41300223	OPUOAGROQJLIAZ-UHFFFAOYSA-N	248.109	2.074	50	40	BEGB	in-vitro
CC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(N)=O	100365444	QWQKGHCCVVXGRH-GSHHHWRASA-N	211.309	2.103	50	40	BEGB	
CCCOc1ccc(C2CC(=O)OC(=O)C2)cc1	217801450	XLGGBYFMUFCOBK-UHFFFAOYSA-N	248.278	2.423	50	40	BEGB	
O=[N+]([O-])c1ccccc1C1=NO[C@@H](CCl)C1	217846196	VKAIZGORMZZCMJ-SSDOTTSWSA-N	240.646	2.327	50	40	BEGB	
COc1cc(C=C(C#N)C#N)ccc1OCC#N	7155037	HXAINBIVLIJVKT-UHFFFAOYSA-N	239.234	2.028	50	40	BEGB	
CCCCNCCC[Si](C)(OC)OC	195756758	SLTAOXPOORASCD-UHFFFAOYSA-N	219.401	2.131	50	40	BEGB	
CC[C@H](CBr)[n+]1ccccc1	5468848	NOJJXLVJIWSUMI-SECBINFHSA-N	215.114	2.320	50	40	BEGB	
Cc1ccc(-n2nc(C)c(C(=O)Cl)n2)cc1	40541535	XWPYQOVMKDRKBQ-UHFFFAOYSA-N	235.674	2.263	50	40	BEGB	
O=C(CCl)N1CCc2cc(Cl)ccc21	82541916	OLXARTAXJNPBNK-UHFFFAOYSA-N	230.094	2.468	50	40	BEGB	
C[C@H]1CCCC/C1=N\NC(=O)c1cccnc1	5163217	GHMYJSXNZDOXCC-PTFXAJSMSA-N	231.299	2.378	50	40	BEGB	
CCn1c(C=C(C#N)C#N)nc2ccccc21	7547349	UAKYYLINCCALHP-UHFFFAOYSA-N	222.251	2.487	50	40	BEGB	
Fc1ccccc1-n1cnnc1CCl	149838853	YHWCFQHFQMJFBZ-UHFFFAOYSA-N	211.627	2.145	50	40	BEGB	
CCO[Si](CCCC=O)(OCC)OCC	198177414	AUNDWZCDAOTGDQ-UHFFFAOYSA-N	234.368	2.014	50	40	BEGB	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccccc1	2649895	QSGXOZATHLLEEQ-RKDXNWHRSA-N	211.692	2.491	50	40	BEGB	
O=C1C[C@H](C/C=C\c2ccccc2)C(=O)O1	104250970	PMGSFRAJPLOXHM-IBHLPDHGSA-N	216.236	2.180	50	40	BEGB	
COc1cc(F)c(C(=O)Cl)cc1F	107198298	CFKHDIPWCOXSLW-UHFFFAOYSA-N	206.575	2.352	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1ccc(C)o1	43646	IAAGILHIAZLHNR-RMKNXTFCSA-N	205.213	2.058	50	40	BEGB	
CN(C)NP(c1ccccc1)c1ccccc1	1707229	SWPPHGHUWOBLOG-UHFFFAOYSA-N	244.278	2.101	50	40	BEGB	
C[C@H]1C[C@@H](C)CN(C(=O)C(Cl)Cl)C1	2801460	DNCDSNLYLJBYCY-KNVOCYPGSA-N	224.131	2.295	50	40	BEGB	
CC(=O)NCc1ccc(C(=O)[C@@H](C)Cl)s1	4218934	KJXLARRXWVTLGH-ZCFIWIBFSA-N	245.731	2.194	50	40	BEGB	
CCOC(=O)[C@@H](Cl)Cc1ccccc1	5833093	UWZLUCLOMBQPFR-JTQLQIEISA-N	212.676	2.400	50	40	BEGB	
BrC[C@@H]1Cc2ccccc2O1	6117371	QYFBYHXEEODTMX-QMMMGPOBSA-N	213.074	2.385	50	40	BEGB	in-vitro
CC1=C(/C=N/NC(N)=O)C(C)(C)CCC1	5305415	ZCSFRIVPFBGTOK-NTUHNPAUSA-N	209.293	2.167	50	40	BEGB	
CC(C)[C@H](Br)C(=O)N1CCCC1	19519518	LCWKWGGQZRLMEB-QMMMGPOBSA-N	234.137	2.028	50	40	BEGB	in-vitro
O=C(N/N=C1/C[C@@H]2CC=C[C@@H]12)c1ccc(O)cc1	34858627	IRZLLOQNQDTOFR-CCIWPMTQSA-N	242.278	2.074	50	40	BEGB	
ClCc1cncn1Cc1ccncc1	85216238	MTPVPTKCKFMCPL-UHFFFAOYSA-N	207.664	2.065	50	40	BEGB	
FC(F)(F)c1nccnc1CBr	91252233	PDJAQWQRBJDVNK-UHFFFAOYSA-N	241.010	2.390	50	40	BEGB	
C[C@@H]1CCC[C@H](NC(=O)CCl)[C@@H]1C	5676871	SJQAZCTZMYEFHA-HLTSFMKQSA-N	203.713	2.166	50	40	BEGB	in-vitro
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)CCl	17355103	PRXQMYGDDZPSBF-UTCJRWHESA-N	225.631	2.416	50	40	BEGB	
CCC1(c2nc(O)cc(CCl)n2)CC1	217794298	CXNYIFGLFFCTCV-UHFFFAOYSA-N	212.680	2.363	50	40	BEGB	
O=C(CCl)NCCSc1ccccc1	4206567	AEPXLHRUYZOFMU-UHFFFAOYSA-N	229.732	2.134	50	40	BEGB	in-vitro
CCC/C(C)=N/NC(=O)c1ccccc1O	4646749	JVNPYFYZMKEHQZ-UKTHLTGXSA-N	220.272	2.298	50	40	BEGB	
COc1ccccc1-n1cc(CCl)nn1	70457350	NWOBEPZQQAZXFH-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
C[C@H](c1nccs1)N(C(=O)CCl)C1CC1	79436229	SQLBLWQOUQFYRC-SSDOTTSWSA-N	244.747	2.434	50	40	BEGB	
CC(=O)[C@H](Cl)C(=O)Nc1ccc(Cl)cc1	160946	NJPWQDYWOXAZIE-VIFPVBQESA-N	246.093	2.475	50	40	BEGB	
Cc1nc2ccc(NC(=O)CCl)cc2[nH]1	16970733	VKVUBIQDPYPBDV-UHFFFAOYSA-N	223.663	2.049	50	40	BEGB	
O=C1OC(=O)[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]12	100149432	LZYYSHYKQSQTRW-QJPTWQEYSA-N	230.263	2.270	50	40	BEGB	
O=C(N/N=C\c1ccccc1F)c1ccco1	5203424	ZHSDRWVSENQIBY-ZSOIEALJSA-N	232.214	2.183	50	40	BEGB	
CC(C)=C(C)C(=O)NNc1ccccc1	1602507	COYVSRXGXHBCLT-UHFFFAOYSA-N	204.273	2.486	50	40	BEGB	
O=C1c2c(F)cccc2O[C@H]1Br	98210842	HTIAYVZCJFGJTE-MRVPVSSYSA-N	231.020	2.122	50	40	BEGB	in-vitro
CC/C(C=O)=C\NC(=O)Nc1ccccc1	104202055	PAISYBGSNMRWDI-CSKARUKUSA-N	218.256	2.301	50	40	BEGB	
CNC(=O)/C(C#N)=C/c1ccc(Cl)s1	573882	SISAFMJAOUVNGN-GQCTYLIASA-N	226.688	2.054	50	40	BEGB	
CC(C)[C@@H]1CC[C@@H](C)C/C1=N\NC(N)=O	13096612	QWQKGHCCVVXGRH-HJFHCXLVSA-N	211.309	2.103	50	40	BEGB	
CC[C@@H](C)NC(=O)[C@@H](Br)C(C)C	19429597	FOIQOQJYXJRHIR-SFYZADRCSA-N	236.153	2.321	50	40	BEGB	
BrCc1nc(-c2ccncc2)no1	96511414	CNGFUOGKQLCVNO-UHFFFAOYSA-N	240.060	2.027	50	40	BEGB	
O=C1c2cc(F)ccc2O[C@@H]1Br	103571493	DZMXWFHXQBHTNW-QMMMGPOBSA-N	231.020	2.122	50	40	BEGB	in-vitro
CC[C@]1(C)C[C@@H](C(=O)CCl)CCO1	494605	UISLDXZDDYXBAV-WCBMZHEXSA-N	204.697	2.390	50	40	BEGB	
C[N+]1(C)CCCC[C@H]1CBr	2145560	WAIYURWSOUTWJL-QMMMGPOBSA-N	207.135	2.010	50	40	BEGB	
Clc1ncnn2ccc(CBr)c12	95635389	AYCNJTDTQXSPEW-UHFFFAOYSA-N	246.495	2.278	50	40	BEGB	
O[C@@H]1CC[C@H]2C[C@H](CBr)[C@H]1C2	100017785	ZGZKEENVMYNWHQ-JQCXWYLXSA-N	219.122	2.178	50	40	BEGB	
C=CCOc1ccc(/C=N/NC(=O)C2CC2)cc1	20161124	WGCOZDKSWPJQLQ-XNTDXEJSSA-N	244.294	2.112	50	40	BEGB	
Cc1[nH]c2ccccc2c1C(=O)C(=O)Cl	37627655	MBAONGDWDAMRIY-UHFFFAOYSA-N	221.643	2.424	50	40	BEGB	
CC(C)Oc1ccc(C2CC(=O)OC(=O)C2)cc1	217801360	UECQZRHBGHFORR-UHFFFAOYSA-N	248.278	2.421	50	40	BEGB	
CC(=O)CCN(NC(=O)c1ccccc1)C(C)C	5294266	XHXPEMPYHWXLEP-UHFFFAOYSA-N	248.326	2.021	50	40	BEGB	
O=C(Cl)c1ccc([N+](=O)[O-])cc1C(=O)Cl	166769162	GNJQAVDGUWVKEE-UHFFFAOYSA-N	248.021	2.353	50	40	BEGB	
C[C@H]1C/C(=C(/C#N)C(N)=O)CC(C)(C)C1	5529030	NNMMMCNFIAXMPR-VPOJCXOPSA-N	206.289	2.138	50	40	BEGB	
O=C(CBr)OC[C@@H]1C[C@@H]2C=C[C@@H]1C2	100190569	YMUCCFYCQVTQAP-HLTSFMKQSA-N	245.116	2.137	50	40	BEGB	
O=C(N/N=C1/CCCc2ccccc21)C1CC1	105490370	OILKSMHQHNOCIY-SQFISAMPSA-N	228.295	2.253	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccncc1	5670107	PAOAASVTCLOHOA-JTVDPWFLSA-N	243.310	2.233	50	40	BEGB	
CC1(C)OC[C@@H](CCCBr)O1	8700000	ZFGLHRDEDKLBRF-SSDOTTSWSA-N	223.110	2.313	50	40	BEGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)CC(=O)N2C	11566761	WGFTVKPVFBJWLG-ZETCQYMHSA-N	237.686	2.016	50	40	BEGB	
CC1=C(C#N)C(=N)N(c2ccccc2)C(=O)C1	12402623	KXWLNZPIGROSJW-UHFFFAOYSA-N	225.251	2.241	50	40	BEGB	
C/C(=C\[C@@H]1CC(=O)OC1=O)CC(C)(C)C	104364649	VAWNKQGQEGSSNK-WHXYTISESA-N	210.273	2.459	50	40	BEGB	
O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=O)O1	1772714662	FSVKVDAMILDKIP-SSDOTTSWSA-N	245.156	2.013	50	40	BEGB	
N#CC(C#N)=CNc1cc(F)ccc1F	125275	FGLXHURXAYNVIL-UHFFFAOYSA-N	205.167	2.308	50	40	BEGB	
Cl[C@H]1COCc2nc3ccccc3n2C1	210317	HCOJFMIBZNCVOX-MRVPVSSYSA-N	222.675	2.174	50	40	BEGB	
N#C/C(=C\C=C\c1ccccc1)[N+](=O)[O-]	3037793	XOFYXLLDUIJNRX-VCABWLAWSA-N	200.197	2.384	50	40	BEGB	
ClC[C@H]1CO[C@H](C(Cl)(Cl)Cl)O1	2037900	DADNQTMXKHQSRJ-IMJSIDKUSA-N	239.913	2.337	50	40	BEGB	
O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1ccc(O)cc1	5672459	GTOJNROBWPRSFC-HHMLNCTOSA-N	244.294	2.298	50	40	BEGB	
N#CSc1nnc(-c2ccc(F)cc2)o1	91695874	IAZYEXMVFFKHGH-UHFFFAOYSA-N	221.216	2.449	50	40	BEGB	
N#C[C@@H](O)c1cccc(Br)c1	100134733	UQYDMAISSWIIRF-MRVPVSSYSA-N	212.046	2.006	50	40	BEGB	
C=CCN1C=CC(=CC=C(C#N)C#N)C=C1	4935275	CJMFUFWDOCCMHN-UHFFFAOYSA-N	209.252	2.415	50	40	BEGB	
Cc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1	22124437	WHKYYTSNQXDVEQ-SECBINFHSA-N	237.686	2.113	50	40	BEGB	
COc1ccc(N2C[C@@H](CCl)OC2=O)cc1	34284052	YHJWPLPRXWMHBK-SNVBAGLBSA-N	241.674	2.259	50	40	BEGB	in-vitro
CN(c1nc(CCl)cs1)C1CC1	35731247	KLLPFWOOFFGWGC-UHFFFAOYSA-N	202.710	2.481	50	40	BEGB	in-vitro
CCOC[C@H](Br)C(F)(F)F	82863626	ORNPEVXNPHXVGT-BYPYZUCNSA-N	221.016	2.349	50	40	BEGB	
COc1ccc(/N=N/C(C#N)=C(\N)S)cc1	124676	FXXLFOCXVWMADD-LBSPPQMYSA-N	234.284	2.360	50	40	BEGB	
O=C(NCCCl)N[C@H]1CCc2ccccc21	1614903	PIYKOGHGUHCXDC-NSHDSACASA-N	238.718	2.212	50	40	BEGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)OCCO2	4985975	NJMIQSNDSHMLOH-ZETCQYMHSA-N	226.659	2.268	50	40	BEGB	
O=C1O[C@H](CCl)CN1C1CCCCC1	70587792	XVFBNQBKVQUQRI-SECBINFHSA-N	217.696	2.379	50	40	BEGB	
COc1ccc2cc(CCCl)c(=O)[nH]c2c1	4137095	QDUOZHQBCKCDSE-UHFFFAOYSA-N	237.686	2.318	50	40	BEGB	
CC(C)CCC[C@@H](C)C/C=N/NC(N)=O	4266574	RJUVZOZFLJGTPK-SEEODLKFSA-N	213.325	2.493	50	40	BEGB	
Nc1cc(Cl)ccc1C(=O)CCl	39055395	VDLXWVJCSVAOKZ-UHFFFAOYSA-N	204.056	2.344	50	40	BEGB	in-vitro
COC(=O)c1ccc2c(c1)nc(CCl)n2C	52508103	UTYAGFZYJGYUKT-UHFFFAOYSA-N	238.674	2.099	50	40	BEGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1	57787063	RTGAIMMVNPUSBE-GZTJUZNOSA-N	249.273	2.322	50	40	BEGB	
N#Cc1ccc(Cl)cc1NC(=O)CCl	3274027	LIULOSOFIJGOCL-UHFFFAOYSA-N	229.066	2.389	50	40	BEGB	in-vitro
CC1(C)[C@@H]2CC=C(C[C@@H]3CC(=O)OC3=O)[C@@H]1C2	100494151	YARPWBYZMQQPAT-MXWKQRLJSA-N	234.295	2.459	50	40	BEGB	
C/C(=N\NC(=O)C1[C@H]2CCCC[C@H]12)C1CC1	103761028	RPHUYGUHIPAXGD-CKOTUWADSA-N	220.316	2.325	50	40	BEGB	
COc1ccc2c(c1)C(=C(C#N)C#N)CCN2	675029470	AFVXIGQIJKEUTC-UHFFFAOYSA-N	225.251	2.312	50	40	BEGB	
CCOC(=O)C/C(C#N)=C/c1ccco1	41104782	PNSKVRNMCFJCQS-TWGQIWQCSA-N	205.213	2.140	50	40	BEGB	
CCOc1cccc(NC(=O)CCl)c1	2017915	JPMLSDRBYFMXLI-UHFFFAOYSA-N	213.664	2.263	50	40	BEGB	
CCOC(=O)/C(C#N)=C1\CCO[C@@](C)(CC)C1	13757213	UDSWVPPKUVBGBT-NHAQELONSA-N	237.299	2.349	50	40	BEGB	
Cc1ccc(/C=C(/C#N)C(=O)O)cc1F	72269951	MODYMXIKKGNIKM-WTKPLQERSA-N	205.188	2.126	50	40	BEGB	
CN1/C(=C(\C#N)C(=O)CCl)Nc2ccccc21	100269681	FNYGOHYWEZWXOL-XYOKQWHBSA-N	247.685	2.091	50	40	BEGB	
O=C(O)[C@H]1CCCC[C@@H]1Br	4536690	NDMRQGSTDXPLEP-WDSKDSINSA-N	207.067	2.025	50	40	BEGB	
C/C(=N/NC(=O)C(F)(F)F)c1cccs1	5007279	YQOQJSUVZRFYSV-XGICHPGQSA-N	236.218	2.151	50	40	BEGB	
C/C=N/NC(=O)COc1ccc(Cl)cc1C	6541456	DOCNYZCVTYVMSA-QLKAYGNNSA-N	240.690	2.149	50	40	BEGB	
CC(C)(Br)C(=O)CBr	38886192	MWDMECGUJZUHCF-UHFFFAOYSA-N	243.926	2.124	50	40	BEGB	
FC(F)(F)OCCCBr	67792712	SCMQDRYYWOLCHV-UHFFFAOYSA-N	206.989	2.308	50	40	BEGB	in-vitro
O=C1CCc2cc(C(=O)CCl)c(F)cc2N1	32628074	PWUBUSLBGCNMOI-UHFFFAOYSA-N	241.649	2.132	50	40	BEGB	in-vitro
C[C@H]1N=C2CCCCN2C(=O)[C@@H]1CCCl	35856035	AQAXLTAHQHWEIN-RKDXNWHRSA-N	228.723	2.045	50	40	BEGB	
Cc1ccccc1CCNC(=O)[C@@H](C)Cl	39946616	ODUISDFZSWNEHK-SNVBAGLBSA-N	225.719	2.281	50	40	BEGB	in-vitro
CC[C@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	278697	HZNDBXQQYMISPZ-QPUJVOFHSA-N	246.310	2.380	50	40	BEGB	
O=C(CCl)N[C@H](c1ccccc1)C1CC1	37389647	KQLGOYCOSZJVLX-GFCCVEGCSA-N	223.703	2.493	50	40	BEGB	in-vitro
CC1(C)[C@H]2CC[C@H](C2)[C@H]1C/C=N/NC(N)=O	100700967	KRGNEQSPPKUQAK-DUHSQCTFSA-N	223.320	2.103	50	40	BEGB	
COC(=O)/C(C#N)=C\Sc1ccccc1	17176337	NFGPKJVAFPFIKP-HJWRWDBZSA-N	219.265	2.359	50	40	BEGB	
Br[C@@H]1OCCC[C@H]1Br	100076515	MQJVXKXCTDBRER-RFZPGFLSSA-N	243.926	2.281	50	40	BEGB	
O=C(CCl)c1cc(Cl)c(O)cc1O	106679914	YKHNGMLECJSNJZ-UHFFFAOYSA-N	221.039	2.173	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(N)=S)cc1	12341479	UVYUOMXJJABTKR-UXBLZVDNSA-N	202.282	2.188	50	40	BEGB	
NNC(=O)COc1ccc(C2CCCCC2)cc1	20457616	KWWKJRINUJHZHA-UHFFFAOYSA-N	248.326	2.103	50	40	BEGB	
O=[N+]([O-])c1ccc(-c2nc(CCl)n[nH]2)cc1	85385527	OZDXSKRRVYIWOB-UHFFFAOYSA-N	238.634	2.119	50	40	BEGB	
N#CC(C#N)=CNc1ccc(Br)cn1	95929313	TXWIAEBDXVYDGM-UHFFFAOYSA-N	249.071	2.187	50	40	BEGB	
C#Cc1cccc(NC(=O)CBr)c1	82506127	SDYFXLKHSLLUAK-UHFFFAOYSA-N	238.084	2.001	50	40	BEGB	in-vitro
C[C@H](CCl)N(CCCl)CCCl	6491761	QJGNGERAQLQGSN-SSDOTTSWSA-N	218.555	2.393	50	40	BEGB	
CC1(C)[C@]2(C)CC[C@@]1(N)[C@@H]2Br	85398818	BMTYUXQSZCZYBW-FTLITQJKSA-N	218.138	2.287	50	40	BEGB	
COc1cc(/C=C(\C#N)C(N)=S)ccc1C	408542442	IWMUVSVTMQEWHM-BJMVGYQFSA-N	232.308	2.197	50	40	BEGB	
Cc1cccc(/C=N/NC(=O)c2cccs2)n1	32406	ZNXBJYLJVDDQJK-MDWZMJQESA-N	245.307	2.215	50	40	BEGB	
O=C(Cc1ccc(F)cc1)N/N=C/c1ccco1	559078	VFCVOQBOQKIDEV-OQLLNIDSSA-N	246.241	2.112	50	40	BEGB	
Cc1ccc(Cl)c2c1NC(=O)C2=C(C#N)C#N	1320704	YVGKXZFMAQGUSZ-UHFFFAOYSA-N	243.653	2.401	50	40	BEGB	
CC(=C(C#N)C#N)c1cccc([N+](=O)[O-])c1	1690854	YTIUEPAVXSIACJ-UHFFFAOYSA-N	213.196	2.415	50	40	BEGB	
O=C(Cl)c1cc(Cl)nnc1Cl	3885024	UGKIAJNNQAMSHX-UHFFFAOYSA-N	211.435	2.162	50	40	BEGB	
C[C@@]12CCCC[C@@H]1C/C(=N\NC(N)=O)CC2	16954004	HBCIDRSOFPMSHX-HUQWWODASA-N	223.320	2.391	50	40	BEGB	
FC(F)(F)CN1CC[C@@H](Br)C1	87752267	VHUPRWWRWHVROC-RXMQYKEDSA-N	232.043	2.018	50	40	BEGB	
O=C1OC(=O)[C@@H]2CC=C(c3ccccc3)C[C@H]12	100494387	JKYWPOLMZPJQML-NEPJUHHUSA-N	228.247	2.180	50	40	BEGB	
O=C(Cl)[C@@H](Br)CCCl	136154050	OGNROIRTCSDKHY-VKHMYHEASA-N	219.893	2.144	50	40	BEGB	
COc1cc(C=O)cc(CCl)c1OC	225720960	YPODDNHGFSDMOV-UHFFFAOYSA-N	214.648	2.255	50	40	BEGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)O	1791644	NMVBISTWHKAJON-DHZHZOJOSA-N	231.251	2.467	50	40	BEGB	
COc1ccc(C(=O)CCl)c(OC)c1	3886527	CWNPZROBLGHLIW-UHFFFAOYSA-N	214.648	2.125	50	40	BEGB	in-vitro
CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](C#N)C(C=O)=CC[C@@H]12	4086397	OOUNAMZEMGEMKR-PWNZVWSESA-N	247.338	2.459	50	40	BEGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccco1	12372508	SSAYSFCCUGSYJM-JYRVWZFOSA-N	232.239	2.335	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C\c1ccc(C)cc1	16790694	IZOLKGWMHXUFOW-LCYFTJDESA-N	226.279	2.204	50	40	BEGB	
ClCc1noc(-c2ccc3c(c2)OCO3)n1	20432720	JKHNNGHMEXPYSA-UHFFFAOYSA-N	238.630	2.204	50	40	BEGB	
C[C@H](I)[C@@H](C)F	238382037	FPYZVHUYVYYUAI-DMTCNVIQSA-N	202.010	2.168	50	40	BEGB	
CCOC(=O)N/N=C/c1ccccc1Cl	171964	LTLZDSGFCLHDRK-KPKJPENVSA-N	226.663	2.420	50	40	BEGB	
C[C@@H](Cl)C(=O)N(C)Cc1cccc(F)c1	4205810	YRFDJMYHHAHVHP-MRVPVSSYSA-N	229.682	2.411	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccncc1	4829325	VUCKSEXZWPSNKP-BTZCEYNWSA-N	241.294	2.009	50	40	BEGB	
O=C(CCl)N1CCC[C@H](C(F)(F)F)C1	37492187	FUQMJOAWCZVPQW-LURJTMIESA-N	229.629	2.026	50	40	BEGB	in-vitro
O=[N+]([O-])c1ccc([C@@H](O)CBr)cc1	37594139	LZCQQYQFJPLEBE-QMMMGPOBSA-N	246.060	2.023	50	40	BEGB	
CN(CC1CCCCC1)C(=O)CCl	37654120	KFSDXOJJSMRMKQ-UHFFFAOYSA-N	203.713	2.264	50	40	BEGB	in-vitro
O=C1C2=C(CCCC2)C(=O)[C@@H](Cl)[C@H]1Cl	104190899	FYXBVPZNMWMTTH-OCAPTIKFSA-N	233.094	2.224	50	40	BEGB	
CCCc1ccc(C(=O)NN)n1[C@@H](C)CC	226025893	OMGYWRDRIMIPKM-VIFPVBQESA-N	223.320	2.015	50	40	BEGB	
CC(C)=NNC(=O)c1cc2ccccc2n1C	4663290	PYQIHFLSMWPUKC-UHFFFAOYSA-N	229.283	2.304	50	40	BEGB	
NC(=O)N/N=C1\CCC[C@@H]2CCCC[C@@H]12	4722503	MBXWMIKCSWJUHH-HDHFVGCISA-N	209.293	2.001	50	40	BEGB	
O=C(F)[C@@](F)(OC(F)(F)F)C(F)(F)F	100424320	GAKSVIQMUADMSK-UWTATZPHSA-N	232.026	2.247	50	40	BEGB	
O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=O)O1	1772714795	VYYZTKPFFGZVSO-ZETCQYMHSA-N	246.049	2.301	50	40	BEGB	
COc1ccc(COC(=O)NN=C(C)C)cc1	61667	UBHUKTQGWDTIJQ-UHFFFAOYSA-N	236.271	2.317	50	40	BEGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccco1	4910759	XEEHIUWIDVCQCC-LCYFTJDESA-N	248.307	2.424	50	40	BEGB	
N#C/C(=C1\C(=O)Nc2ccccc21)c1ccccn1	5447418	PYEKTXSLWHZSND-SDNWHVSQSA-N	247.257	2.468	50	40	BEGB	
CCOC(=O)/C(C#N)=C(\Cl)C(F)(F)F	66347591	QPMJENKZJUFOON-PLNGDYQASA-N	227.569	2.128	50	40	BEGB	
N#Cc1ccc(CN(C(=O)CCl)C2CC2)cc1	79420496	YAGMQPMJJHCAII-UHFFFAOYSA-N	248.713	2.288	50	40	BEGB	
CC(C)[C@H]1CC[C@@H](C)C/C1=N\NC(N)=O	13096613	QWQKGHCCVVXGRH-FLEAMGMESA-N	211.309	2.103	50	40	BEGB	
C[C@@H]1C[C@@H](C)CN(CCBr)C1	40989928	KGYBIZUXMBIYSP-RKDXNWHRSA-N	220.154	2.359	50	40	BEGB	
CO/C(=C\C(=O)C(F)(F)F)CBr	4801731	LSVYBZXUIJPUGY-RQOWECAXSA-N	247.010	2.043	50	40	BEGB	
C[C@@H](Cl)c1nc(-c2ccncc2)no1	9458142	SGJCXHRERCQSQQ-ZCFIWIBFSA-N	209.636	2.431	50	40	BEGB	in-vitro
ClCCc1nc2c3ccccc3ncn2n1	36390476	SOGYJVUUXDKORT-UHFFFAOYSA-N	232.674	2.059	50	40	BEGB	
CCc1nc(NC(=O)CCl)sc1C	4512591	MSHQDDQHSXQNNX-UHFFFAOYSA-N	218.709	2.191	50	40	BEGB	in-vitro
COc1ccc2c(c1)C[C@H](Br)C2=O	36421578	VDAOMAGKUNHGSS-VIFPVBQESA-N	241.084	2.198	50	40	BEGB	
Nc1ncnc2sc(CBr)cc12	90627617	XJZYVNIDHQCRFD-UHFFFAOYSA-N	244.117	2.168	50	40	BEGB	
COC(=O)N/N=C/c1ccc(Cl)s1	178297	YAWGLZHYAAFKRV-RUDMXATFSA-N	218.665	2.091	50	40	BEGB	
Cc1ccccc1O[C@@H](C)CNC(=O)CCl	41695487	VXHTVDAGQHDYEB-JTQLQIEISA-N	241.718	2.117	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(C)s1	267847	FUCRDCMKCXDOSX-UXBLZVDNSA-N	212.274	2.137	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)c2ccc(F)cc2)o1	4784561	MCZHHCGRDBLWOS-NVNXTCNLSA-N	246.241	2.491	50	40	BEGB	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Cl	36962948	NTCAEUMLAVILFR-BDAKNGLRSA-N	241.718	2.500	50	40	BEGB	
O=C1C2CCC(CC2)[C@@H]1Br	217625024	VCIXQTDRKMRUNO-AHXFUIDQSA-N	203.079	2.139	50	40	BEGB	
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cl	3887378	WYGRWDASSJWJGQ-DJLDLDEBSA-N	203.713	2.309	50	40	BEGB	
CCOC(=O)N/N=C(/C)c1ccc(F)cc1	5796356	JONQCWKGOXQLAV-JYRVWZFOSA-N	224.235	2.296	50	40	BEGB	
CN(C)/C=C(/C#N)C(=O)c1ccc(Cl)cc1	12408821	BVQNAFCXKKEMQX-NTMALXAHSA-N	234.686	2.492	50	40	BEGB	
ClCc1ncnn1Cc1ccccc1	83998974	ZAZSKBHHOQOLEI-UHFFFAOYSA-N	207.664	2.065	50	40	BEGB	in-vitro
C[C@]1(c2ccccc2)CC[C@H]2C(=O)OC(=O)[C@@H]2C1	102509955	FHXWBKINEAZKEX-JMSVASOKSA-N	244.290	2.444	50	40	BEGB	
COC(=O)N/N=C/c1c(C)[nH]c2ccccc12	357513	CRMGLOBOGUFMDU-NTUHNPAUSA-N	231.255	2.166	50	40	BEGB	
COC(=O)/C(C#N)=C(\C)c1ccc(OC)cc1	38611999	WGGBUPQMVJZVIO-FMIVXFBMSA-N	231.251	2.165	50	40	BEGB	
C[Si](C)(C)O[Si]O[Si](C)(C)C	196220218	QUSIXTNHZHDRQZ-UHFFFAOYSA-N	206.466	2.224	50	40	BEGB	
ClC[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1	217845782	MCEMQMQARCDUPQ-QMMMGPOBSA-N	239.658	2.147	50	40	BEGB	
COc1ccc(CNC(=O)CCCCl)cc1	6128240	RBPQEARIELSFSJ-UHFFFAOYSA-N	241.718	2.330	50	40	BEGB	
O=C(O)Cc1ccccc1CBr	39331705	OWUUOJBKIIEHTJ-UHFFFAOYSA-N	229.073	2.209	50	40	BEGB	
CCc1ccc(CNC(=O)CCl)cc1	41716906	IAFSHZALFHRYBH-UHFFFAOYSA-N	211.692	2.104	50	40	BEGB	
COC(=O)c1ccccc1SSCCN	1579497	KKNSKTSBAONNRP-UHFFFAOYSA-N	243.353	2.172	50	40	BEGB	
O=C(N/N=C/c1ccncc1)NC1CCCCC1	3291952	BCJNWMPGTQFEIM-XNTDXEJSSA-N	246.314	2.047	50	40	BEGB	
O=C(CCl)NCc1nccc2ccccc12	79422063	ZXVGQWFUMQZPIS-UHFFFAOYSA-N	234.686	2.090	50	40	BEGB	
CC1(C)C[C@@H]1CI	85345199	RGOYITJMPXLXQA-RXMQYKEDSA-N	210.058	2.468	50	40	BEGB	
ClC[C@H]1CO[C@@H]([C@@H]2C[C@@H]3C=C[C@@H]2C3)O1	100927057	IMAZNHMBJHURDA-KAMPLNKDSA-N	214.692	2.179	50	40	BEGB	
CCC(=O)OC[C@H](Br)C(F)(F)F	1083809209	YNBRVRWLLAHQKM-BYPYZUCNSA-N	249.026	2.265	50	40	BEGB	
O=C(CCBr)NCc1ccccc1	1670940	HDBRGLDGUIIZAW-UHFFFAOYSA-N	242.116	2.088	50	40	BEGB	
C[C@]1(C(=O)NC2CCCC2)C[C@@H]1Br	2272246	DGAMAFULZGOSQN-WPRPVWTQSA-N	246.148	2.219	50	40	BEGB	
COc1cc(/C=C/C#N)cc(OC)c1OC	2524661	UTGSLVKJGNDEMJ-SNAWJCMRSA-N	219.240	2.249	50	40	BEGB	
C[C@]12CCCC[C@@H]1C/C(=N\NC(N)=O)CC2	16954006	HBCIDRSOFPMSHX-FLISTJCGSA-N	223.320	2.391	50	40	BEGB	
O=C1O[C@H](Br)c2cc(F)ccc21	169797477	FCFKDGLHMKVZAJ-ZETCQYMHSA-N	231.020	2.390	50	40	BEGB	
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Cl	3887354	GYINOGHSYTZVDH-XHNCKOQMSA-N	203.713	2.403	50	40	BEGB	
COc1ccc(C(=O)NCCCCl)cc1	5513572	JIIFSFRTQBUBRR-UHFFFAOYSA-N	227.691	2.054	50	40	BEGB	
CO[C@H](C(=O)NN=C1CCCC1)c1ccccc1	20248961	RFRMPKDQSKNBSD-ZDUSSCGKSA-N	246.310	2.420	50	40	BEGB	
CC(C)C(=O)N/N=C\c1ccc(Cl)cc1	58885339	ABMFXXOTRWFUJQ-QPEQYQDCSA-N	224.691	2.446	50	40	BEGB	
O=C(O)C1CC2(CC(Br)C2)C1	238702279	MHDPHYWUYBMDQZ-UHFFFAOYSA-N	219.078	2.025	50	40	BEGB	
CC(=O)Nc1ccc(NC(C)=C(C#N)C#N)cc1	5935586	MNVGZTAWUKTOIW-UHFFFAOYSA-N	240.266	2.378	50	40	BEGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)C1CC1	101273161	BZVPCHAAWZDASC-QPVXSDEHSA-N	232.327	2.491	50	40	BEGB	
CC(C)=NNC(=O)COc1c(C)cccc1C	491614	VUBJFYROTRIAFF-UHFFFAOYSA-N	234.299	2.194	50	40	BEGB	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Cl)C1	12433198	PBIMBCFTHLZFNG-HRDYMLBCSA-N	203.713	2.118	50	40	BEGB	
CCCC[C@@H]1CCC/C(=N\NC(N)=O)C1	16943504	RHUAYXYWSQMVHS-YPJZTRPGSA-N	211.309	2.391	50	40	BEGB	
O=C(CCl)N[C@H]1CCC[C@@H](C(F)(F)F)C1	35222751	YPZAICAWEBJFND-RQJHMYQMSA-N	243.656	2.463	50	40	BEGB	
Cc1ccccc1O[C@H](C)CNC(=O)CCl	41695489	VXHTVDAGQHDYEB-SNVBAGLBSA-N	241.718	2.117	50	40	BEGB	
N#C/C(N)=C(C#N)/N=C/c1ccc2ccccc2c1	100429671	YPUHMTVMJRKLPL-PNZHPCDISA-N	246.273	2.476	50	40	BEGB	
O=C1O[C@@H](Br)c2c(F)cccc21	169797471	NETWOGJYVJDVLP-SSDOTTSWSA-N	231.020	2.390	50	40	BEGB	
N#CC(C#N)=CNCc1nc2ccccc2s1	48381590	PZICZGYGUFDVRJ-UHFFFAOYSA-N	240.291	2.317	50	40	BEGB	
C[C@@H](CCl)S(=O)(=O)c1ccccc1	96515875	SKRVDZHQZIFTCC-QMMMGPOBSA-N	218.705	2.088	50	40	BEGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)NN	396679	PYLNEFCRGMTUJK-LPEHRKFASA-N	214.309	2.047	50	40	BEGB	
C/C(=N\NC(N)=O)[C@H]1C[C@@]2(C)CC[C@@H]1C2(C)C	4701450	VFLILMXHJULMAP-QCXBWVHPSA-N	237.347	2.493	50	40	BEGB	
O=C(Cl)c1cc2ccccc2oc1=O	21984720	IVEOLEMGKYWBTC-UHFFFAOYSA-N	208.600	2.172	50	40	BEGB	in-vitro
O=C(CCl)[C@H](Cl)C(=O)Nc1ccccc1	100118416	JASVZHHUORWQKB-VIFPVBQESA-N	246.093	2.040	50	40	BEGB	
Cc1ccc(Cl)cc1-n1cccc1C(=O)NN	223725865	LBQQVAQMFQTMJW-UHFFFAOYSA-N	249.701	2.043	50	40	BEGB	
CN(CCCl)CCC(=O)c1ccccc1	1670020	QPLFHNJIUORQLE-UHFFFAOYSA-N	225.719	2.430	50	40	BEGB	
N#Cc1ccccc1OCCBr	19416022	PKMYDQVQJFGGBW-UHFFFAOYSA-N	226.073	2.332	50	40	BEGB	
Cc1cc(NC(=O)CCl)n(C(C)(C)C)n1	62146623	SACKDXVGYVHUJB-UHFFFAOYSA-N	229.711	2.124	50	40	BEGB	in-vitro
Cc1[nH]c2ccccc2c1C[C@H]1CC(=O)OC1=O	100494165	WOWUGBAHYGWNEQ-VIFPVBQESA-N	243.262	2.109	50	40	BEGB	
CC(C)c1cc(CBr)n(C)n1	256050482	FENCQMWFLRAUHK-UHFFFAOYSA-N	217.110	2.438	50	40	BEGB	
CCCCN(CCCC)S(=O)(=O)CCl	1736325	ZTIPIQNPEHKBSA-UHFFFAOYSA-N	241.784	2.415	50	40	BEGB	
O=C(COc1ccc(Cl)cc1)N=C=S	35660204	VUXVZDKLDSDIII-UHFFFAOYSA-N	227.672	2.348	50	40	BEGB	
Cc1ccccc1-n1c(C)cc(C(=O)NN)c1C	223700557	DNSXSDJFTZNJMS-UHFFFAOYSA-N	243.310	2.006	50	40	BEGB	
CC(C)(C)OC(=O)N1CCCC=C1C=O	38435409	XCZFTMBURFLJOW-UHFFFAOYSA-N	211.261	2.100	50	40	BEGB	
C[C@@H](Cl)C(=O)N1[C@H](C)CCC[C@H]1C	3887355	GYINOGHSYTZVDH-IWSPIJDZSA-N	203.713	2.403	50	40	BEGB	
CCOC(=O)[C@@H](Cc1ccccc1)N=C=S	6645480	YQTZICAZVVTABT-LLVKDONJSA-N	235.308	2.264	50	40	BEGB	
Cc1csc(COCCBr)n1	96528165	WWRLGSJMQDDSHC-UHFFFAOYSA-N	236.134	2.363	50	40	BEGB	
C[C@@H]1C[C@@H]2O[C@@]2(C)C[C@@H]1[C@@H]1OC[C@H](CCl)O1	100929358	RWLBJPNYLMZBCM-QAWJZHMJSA-N	246.734	2.170	50	40	BEGB	
C/C(=N\NC(=O)C1[C@@H]2CCCC[C@@H]12)C1CC1	103761034	RPHUYGUHIPAXGD-XYBIBHCTSA-N	220.316	2.325	50	40	BEGB	
N#CC(C#N)=Cc1cc2c(cc1Cl)OCO2	868443	QYURSMWMTIRZSO-UHFFFAOYSA-N	232.626	2.499	50	40	BEGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(C)o1	5364023	QHIMOCNVOBVIGZ-XNTDXEJSSA-N	243.266	2.137	50	40	BEGB	
CC(=O)OC[C@@H](C(=O)Cl)c1ccccc1	22005619	PWWISFVVAKCNEF-SNVBAGLBSA-N	226.659	2.099	50	40	BEGB	
O=C(CCl)c1ccncc1Br	199542858	XWJKSGXRGCOCII-UHFFFAOYSA-N	234.480	2.266	50	40	BEGB	
Nc1cccc(C(=O)N/N=C/c2ccccc2)c1	45776	FWIPVKUAEMABQY-MHWRWJLKSA-N	239.278	2.033	50	40	BEGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1Cl	320210	LXOAGOWBVUSDAQ-SECBINFHSA-N	208.648	2.017	50	40	BEGB	
Nc1cc(N)cc(N(CCCl)CCCl)c1	1766250	CIKSOOFSBWWVOQ-UHFFFAOYSA-N	248.157	2.135	50	40	BEGB	
Cc1ccc(C(=O)/C(C#N)=C\N(C)C)cc1	12408825	FNUVUUPRYIYVRL-XFXZXTDPSA-N	214.268	2.147	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1cccnc1Cl	12504908	ZYCGMXXQYXAUJE-RXMQYKEDSA-N	219.071	2.301	50	40	BEGB	in-vitro
Cc1ccc([C@H]2NC[C@H](CCl)O2)cc1	19230041	ADZPAMCMIRQXAV-QWRGUYRKSA-N	211.692	2.221	50	40	BEGB	
CC(=O)N/N=C/c1ccccc1C(F)(F)F	4752197	WICKOMSFMPHKHI-MKMNVTDBSA-N	230.189	2.175	50	40	BEGB	
Cn1cc(-c2nc(CCl)cs2)cn1	32912363	FWEITLVMGFDAGX-UHFFFAOYSA-N	213.693	2.282	50	40	BEGB	in-vitro
C[C@H]1CCCCN1C(=O)[C@@H](C)Br	41671922	ODMJVSPHJAURSZ-JGVFFNPUSA-N	234.137	2.171	50	40	BEGB	
CCOC(=O)/C=C(/C#N)c1ccc(C)cc1	1715368	SGPMZSOMFWVEET-WQLSENKSSA-N	215.252	2.465	50	40	BEGB	
NCc1ccc(CCCCl)c(F)c1	199523290	VAXIJRYKJUMCRI-UHFFFAOYSA-N	201.672	2.456	50	40	BEGB	
COc1ccc(/C=N/NC(=O)C2CCCC2)cc1	15934189	SLONOQCSMAJHJS-XNTDXEJSSA-N	246.310	2.336	50	40	BEGB	
CCN(C(=O)CCl)c1ccc(OC)cc1	199758742	RHTNTFQTZQFXBM-UHFFFAOYSA-N	227.691	2.287	50	40	BEGB	
CCOC(=O)N/N=C(\OCC)c1ccccc1	8665720	WBCSZCXJIALXHD-QBFSEMIESA-N	236.271	2.131	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2ccncc2)s1	15934466	WVGIIIATAHRFDJ-RIYZIHGNSA-N	245.307	2.215	50	40	BEGB	
COc1ccc(-n2cnnc2CCl)cc1	149807990	NBORVNLTXGPXEV-UHFFFAOYSA-N	223.663	2.015	50	40	BEGB	
COC(=O)N[C@@H](Cl)C(Cl)(Cl)Cl	5354564	CQVHPTKNAFFWCN-UWTATZPHSA-N	240.901	2.278	50	40	BEGB	
CCc1ccc(OCC(=O)N=C=S)cc1	70461483	PUCYIBCXVWRYAS-UHFFFAOYSA-N	221.281	2.257	50	40	BEGB	
C=CCOc1ccc(/C=C(\C#N)C(N)=S)cc1	408542572	JTGBOSIJCIDASD-DHZHZOJOSA-N	244.319	2.444	50	40	BEGB	
CC(=O)[C@@H](Cc1ccccc1)SC#N	3434842	IHBILEIDHPGKLT-LLVKDONJSA-N	205.282	2.401	50	40	BEGB	
CC(C)(C)OC(=O)N/N=C/c1ccccc1O	3574656	WBMFAABOHPHLEH-MDWZMJQESA-N	236.271	2.251	50	40	BEGB	
CC/C(=N\NC(=O)OC)c1cc(F)ccc1O	58157782	CFMFTXGSSAZQIL-UKTHLTGXSA-N	240.234	2.001	50	40	BEGB	
CC(C)(C)C(=O)NC(C#N)=C(Cl)Cl	1462102	WUPGTRGPLDMPKF-UHFFFAOYSA-N	221.087	2.319	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1sccc1C	2678403	JDUPPBTUCAQRQG-JXMROGBWSA-N	232.308	2.266	50	40	BEGB	
NC(=O)[C@@H](Cl)c1ccc(Br)cc1	4387782	FOLWCGJZWPBJNT-ZETCQYMHSA-N	248.507	2.214	50	40	BEGB	
CC[C@H](CCl)OCCOCCCl	5468858	UESZBPIDOQXZMO-MRVPVSSYSA-N	215.120	2.276	50	40	BEGB	
CC(C)(C)NC(=O)C1[C@@H]2CC[C@H]1C2Cl	12403027	PHVLWBBKXPJHKA-QPIHLSAKSA-N	215.724	2.165	50	40	BEGB	
O=C(N/N=C/C=C\c1ccco1)c1cccnc1	13477505	CTXDMWBPCBADRF-LJSZJNSQSA-N	241.250	2.104	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C\c1cccc(F)c1	33362196	AQRKPTPHHWDCLL-WDZFZDKYSA-N	232.258	2.257	50	40	BEGB	
CCOC(=O)/C(C#N)=C(/Cl)C(F)(F)F	39260362	QPMJENKZJUFOON-SNAWJCMRSA-N	227.569	2.128	50	40	BEGB	
[C-]#[N+][C@H]1CCCN(C(=O)OC(C)(C)C)C1	106184437	ZJTPXLKZTWUFQN-VIFPVBQESA-N	210.277	2.305	50	40	BEGB	
C/C(=N\NC(=O)[C@@H]1CCCO1)c1ccc(C)cc1	5329529	ZNIKCUNXKVXLEH-JMRXEAOASA-N	246.310	2.014	50	40	BEGB	
CCOc1ccc(C(=O)Cl)cc1[N+](=O)[O-]	5654269	GCTUPPCEWIUISJ-UHFFFAOYSA-N	229.619	2.373	50	40	BEGB	
COC(=O)[C@@H](Cl)c1ccccc1F	50978027	XDVYWTDSCCNRIR-QMMMGPOBSA-N	202.612	2.279	50	40	BEGB	in-vitro
COc1cc(C(=O)Cl)cc(F)c1F	95728974	OBWPALDRPORJIM-UHFFFAOYSA-N	206.575	2.352	50	40	BEGB	
Cc1ccc2nc(C)c(CCCl)c(=O)n2c1	22054531	WTAHIERDSNGTGY-UHFFFAOYSA-N	236.702	2.093	50	40	BEGB	in-vitro
CN1C(C)(C)CC(=O)[C@@H](Br)C1(C)C	31861503	RCNCVWBGGCFCNE-MRVPVSSYSA-N	248.164	2.212	50	40	BEGB	
CCOc1ccc(N/C=C(\C#N)C(=O)OC)cc1	100025593	PWANSYPYAOJWOZ-MDZDMXLPSA-N	246.266	2.078	50	40	BEGB	
CC(C)(C)c1ccc([C@H]2NC(=O)OC2=O)cc1	1772715011	PFQQZIOVCOKIAR-SNVBAGLBSA-N	233.267	2.292	50	40	BEGB	
CN(N)C(=O)Nc1ccc(Cl)c(Cl)c1	1717394	GTBDPLDMHULSPI-UHFFFAOYSA-N	234.086	2.331	50	40	BEGB	
O=C(NCCCCl)c1ccc(F)cc1	4151112	LQLJKTDTCQOWOK-UHFFFAOYSA-N	215.655	2.184	50	40	BEGB	
Cc1ccccc1/C=N/NC(=O)c1ccco1	231266	MARLMBRTORUXGY-NTEUORMPSA-N	228.251	2.352	50	40	BEGB	
O=C(O)COc1cccc(CBr)c1	2389422	MSTODKGDFXWAIO-UHFFFAOYSA-N	245.072	2.045	50	40	BEGB	in-vitro
N#C/C(=C\c1[nH]c2ccccc2c1Cl)C(N)=O	2653964	BUVLDUKEUOXTRP-FNORWQNLSA-N	245.669	2.214	50	40	BEGB	
CCOC(=O)/C(C#N)=C\[C@@]1(C)CCC(C)=CO1	5328731	SLWMQBCRIDZYCI-LWMSPQMPSA-N	235.283	2.472	50	40	BEGB	
C/C(=N\NC(N)=O)c1cc(C)c(C)cc1C	33373212	ZKMMVNHLIMSTRJ-GXDHUFHOSA-N	219.288	2.004	50	40	BEGB	
CCOC(=O)[C@H](Br)c1ccncc1	68675247	MGHVHQLCGVMIPR-MRVPVSSYSA-N	244.088	2.081	50	40	BEGB	
CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2C(=O)OC(=O)[C@@H]21	108559241	WGCKYCGUJYPRCV-WHOHXGKFSA-N	234.295	2.481	50	40	BEGB	biogenic
O=C1C[C@@H](c2ccc(CCl)cc2)CCN1	199776092	LBCRWFABLNONRO-NSHDSACASA-N	223.703	2.419	50	40	BEGB	
O=C1N[C@H](c2ccc(Cl)cc2Cl)C(=O)O1	1772714708	LETRMGLOCZUAFQ-SSDOTTSWSA-N	246.049	2.301	50	40	BEGB	
COC(=O)N/N=C(\C)c1ccccc1Cl	5163742	XBXWBGSQNFYHKR-KPKJPENVSA-N	226.663	2.420	50	40	BEGB	
BrC[C@H]1Cc2ccccc2O1	6117352	QYFBYHXEEODTMX-MRVPVSSYSA-N	213.074	2.385	50	40	BEGB	in-vitro
CCCCC(=O)N/N=C\c1ccc(N(C)C)cc1	31670242	ZOELUTMCMXUPDM-PTNGSMBKSA-N	247.342	2.393	50	40	BEGB	
C[C@H](Br)c1nc(C2CC2)no1	95097277	DYALUPQSXDJWKD-BYPYZUCNSA-N	217.066	2.403	50	40	BEGB	
C/C=C\CC/C(=N\NC(N)=O)c1ccccc1	5014711	SPVDEMVQYOTTCF-YCCFYQKASA-N	231.299	2.415	50	40	BEGB	
C/C=C/C=C/C(=O)NNc1ccccc1[N+](=O)[O-]	8777587	XDAHPXBMDAUWBG-DSXPNFDZSA-N	247.254	2.170	50	40	BEGB	
Oc1ccccc1CCBr	34200589	GZPRFUSTANBATG-UHFFFAOYSA-N	201.063	2.330	50	40	BEGB	in-vitro
COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	108884084	XDRSMQCFENOOLC-WQLSENKSSA-N	244.294	2.127	50	40	BEGB	
Cc1ccsc1/C=N\NC(=O)c1ccco1	13114159	BHUHVOVRUOXXBT-GHXNOFRVSA-N	234.280	2.413	50	40	BEGB	
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Cl	34381993	YLMDZKNGGYKKGN-UHFFFAOYSA-N	247.003	2.471	50	40	BEGB	
O=[N+]([O-])c1ccc(OC(=S)Cl)cc1	1692855	UHQPEESVLYUICU-UHFFFAOYSA-N	217.633	2.497	50	40	BEGB	
Cc1ccsc1/C=C(/C#N)C(=O)N(C)C	5712267	CXNGTVODVBHBDY-TWGQIWQCSA-N	220.297	2.052	50	40	BEGB	
C/C(=N\NC(=O)c1ccccc1F)c1ccc[nH]1	58158034	CPIQTQZYYROZRV-CXUHLZMHSA-N	245.257	2.308	50	40	BEGB	
ClC[C@@H]1CO[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)O1	254620055	IMAZNHMBJHURDA-QUARPLMYSA-N	214.692	2.179	50	40	BEGB	
O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2C=C[C@H]4[C@H]3[C@H]1Br	261361238	SHVDPBAXIYITKD-ZRVCIQTRSA-N	239.112	2.017	50	40	BEGB	
CC(=O)N/N=C/c1cccn1-c1ccc(F)cc1	409012191	JECOMEJIZWAEFN-OQLLNIDSSA-N	245.257	2.086	50	40	BEGB	
C/C(=N/NC(=O)c1ccco1)c1ccc(N)cc1	16972733	PBCJNNZVLXDHCR-DHDCSXOGSA-N	243.266	2.016	50	40	BEGB	
CC1=CCC/C(=N/NC(N)=O)C12CCCC2	31720143	FJNGDWZHCIEBDZ-UVTDQMKNSA-N	221.304	2.311	50	40	BEGB	
CC(C)[C@@H](Br)C(=O)NC(C)(C)C	19422451	CRJGBGHVAPNGBD-SSDOTTSWSA-N	236.153	2.321	50	40	BEGB	
Cc1ccc(C)c(/C=C(/C#N)S(C)(=O)=O)c1	82063042	KWSQCGRTGXCZBI-GHXNOFRVSA-N	235.308	2.213	50	40	BEGB	
O=C1OC(=O)[C@@H]2C[C@H](c3ccccc3)CC[C@H]12	100149436	LZYYSHYKQSQTRW-GRYCIOLGSA-N	230.263	2.270	50	40	BEGB	
O=C(CCCl)c1ccc2c(c1)OCO2	1704081	LVAXXJRNMOQLBL-UHFFFAOYSA-N	212.632	2.227	50	40	BEGB	
CCCCCCNC(=O)[C@@H](C)Br	1673003	OCHHGTONRBVHII-MRVPVSSYSA-N	236.153	2.466	50	40	BEGB	
COC(=O)c1cccc2nc(CCl)oc12	84783236	XAAGAULNTJDYOB-UHFFFAOYSA-N	225.631	2.353	50	40	BEGB	
C=CCn1cc(/C=N/NC(C)=O)c2ccccc21	409019267	YMXVEHRPXVYNEV-OQLLNIDSSA-N	241.294	2.297	50	40	BEGB	
N#CCCOC[C@H](Br)C(F)(F)F	1083810985	ISCLJWSBEBQELV-YFKPBYRVSA-N	246.026	2.242	50	40	BEGB	
Cc1ccc(S(=O)(=O)CCCl)cc1	160839	KUAGAJLNIOIGRN-UHFFFAOYSA-N	218.705	2.008	50	40	BEGB	
C[C@]1(c2ccccc2)CCC/C1=N/NC(N)=O	5742868	YPZADWPHMJUIFG-LKKYZFDUSA-N	231.299	2.153	50	40	BEGB	
ICC1CC=CC1	71254644	JBUPUPVSIWQTFU-UHFFFAOYSA-N	208.042	2.388	50	40	BEGB	
ClCc1nccc(-c2ccncc2)n1	88190260	CJDJYXFQTPGZRK-UHFFFAOYSA-N	205.648	2.277	50	40	BEGB	
C[C@@H](NC(=O)CCl)[C@H]1C[C@H]2CC[C@H]1C2	100769245	LARFYGYUBWEGFA-XFWSIPNHSA-N	215.724	2.166	50	40	BEGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)CCO2	19398674	BSZZJEADZFVDBB-ZETCQYMHSA-N	210.660	2.432	50	40	BEGB	
CCOC(=O)[C@H](Cl)C(=O)c1ccccc1	101074384	FYIINBVGKBDRME-SECBINFHSA-N	226.659	2.040	50	40	BEGB	
COc1ccccc1C(=O)N/N=C/c1ccco1	59567	LRVMRBCRAADUGL-NTEUORMPSA-N	244.250	2.052	50	40	BEGB	
C/C(=N\NC(=O)OC(C)(C)C)c1cccnc1	6881847	SJJBDJLOPKMBRE-NTEUORMPSA-N	235.287	2.330	50	40	BEGB	
CCC(CC)=NNC(=O)c1ccc2c(c1)OCO2	370402	SWDVYBNJCKPREH-UHFFFAOYSA-N	248.282	2.321	50	40	BEGB	
CCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1704791	BNUSSGNJEMLNDS-UKTHLTGXSA-N	249.270	2.235	50	40	BEGB	
C/C(=N\NC(N)=O)c1cccc2ccccc12	16890250	BJGJUPAEKVEHJQ-OQLLNIDSSA-N	227.267	2.232	50	40	BEGB	
CCCCCC(=O)NNC(=O)CCCCC	1720142	ATXVAOYINYICFR-UHFFFAOYSA-N	228.336	2.294	50	40	BEGB	
Nc1nc(Cl)c(CCl)c(Cl)n1	71789045	PJKQTWFNYVYTAZ-UHFFFAOYSA-N	212.467	2.104	50	40	BEGB	
CC(=O)N[C@H](Cl)C(Cl)(Cl)Cl	3165058	IMEQPJDEOWUNNN-VKHMYHEASA-N	224.902	2.058	50	40	BEGB	
CC(C)[C@H](Br)C(=O)NC(C)(C)C	19422453	CRJGBGHVAPNGBD-ZETCQYMHSA-N	236.153	2.321	50	40	BEGB	
CC[C@@]1(C)C[C@@H](C(=O)CCl)CCO1	494604	UISLDXZDDYXBAV-WPRPVWTQSA-N	204.697	2.390	50	40	BEGB	
C[C@@H](Cl)c1nc(N)nc(Nc2ccccc2)n1	7986285	HSOZFTGYXPQTLE-SSDOTTSWSA-N	249.705	2.497	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2cccnc2)cc1	33319094	LAVWLZNEHGTUGV-YBEGLDIGSA-N	239.278	2.154	50	40	BEGB	
CCO[C@@H]1[C@@H](Cl)C(O)=NC(=O)N1CC(C)C	36618862	YYBTYPXOVTXJHL-IONNQARKSA-N	248.710	2.005	50	40	BEGB	
COc1ccccc1C1(C(=O)Cl)CC1	11833947	OFNKZXXMJFWXBK-UHFFFAOYSA-N	210.660	2.492	50	40	BEGB	in-vitro
C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)OC2=O)C1	100915480	XQGJAQBFNIXTGN-PELKAZGASA-N	210.273	2.293	50	40	BEGB	
CCOC(=O)N/N=C\c1ccc(C)cc1	31687302	BDIWUZZGKFHBKJ-WQLSENKSSA-N	206.245	2.075	50	40	BEGB	
Cc1ccc(-n2nnnc2CCl)cc1Cl	36138828	XAGXJLHKQRRVFF-UHFFFAOYSA-N	243.097	2.363	50	40	BEGB	
CCCc1noc([C@H](C)Br)n1	96511374	KWMSHRSRHKBDJG-YFKPBYRVSA-N	219.082	2.478	50	40	BEGB	
Nc1ccc(Br)cc1C(=O)Cl	98213493	KXLPCEASODOAAB-UHFFFAOYSA-N	234.480	2.410	50	40	BEGB	
C[Si](C)(C)OC(=O)C(F)(F)Cl	604221806	MSSFGJPFBJIEJI-UHFFFAOYSA-N	202.660	2.196	50	40	BEGB	
C/C(=N\NC(=O)[C@H]1CCCO1)c1ccc(C)cc1	5329531	ZNIKCUNXKVXLEH-WDGDVPDHSA-N	246.310	2.014	50	40	BEGB	
C[C@@H](Br)[C@@H](Br)C#N	6036967	TWLGLYVADVLALB-DMTCNVIQSA-N	226.899	2.057	50	40	BEGB	in-vitro
C[C@@H](Cc1c(F)cccc1F)NC(=O)CCl	37654199	SZEMVUWHJWLLPV-ZETCQYMHSA-N	247.672	2.251	50	40	BEGB	in-vitro
CC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H]2C(=O)OC(=O)[C@H]12	114741816	WGCKYCGUJYPRCV-WRWGMCAJSA-N	234.295	2.481	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)Cc2cccs2)o1	28665	DSZPJKJPJDTSLT-MDWZMJQESA-N	248.307	2.342	50	40	BEGB	
CS(=O)(=O)Sc1ccc(Cl)cc1	1672045	HRDUILPJXCHZPN-UHFFFAOYSA-N	222.718	2.392	50	40	BEGB	
CNC(=O)/C(C#N)=C\c1ccc(Cl)s1	33329036	SISAFMJAOUVNGN-XQRVVYSFSA-N	226.688	2.054	50	40	BEGB	
CC(C)(C)OCCI	38254505	DBMGRFIVRJOFCS-UHFFFAOYSA-N	228.073	2.237	50	40	BEGB	in-vitro
CCc1ccc(CNC(=O)CCl)s1	60273329	UNBGMRZSTIDDFQ-UHFFFAOYSA-N	217.721	2.166	50	40	BEGB	in-vitro
O=C(CCl)NCCSCc1cccs1	4206568	LUTDFVJJXTZAKU-UHFFFAOYSA-N	249.788	2.336	50	40	BEGB	
CC(C)=NNC(=O)c1c[nH]c2ccccc12	4156357	QGITUWHEZBGPJI-UHFFFAOYSA-N	215.256	2.294	50	40	BEGB	
Cc1ccc(SSc2nnnn2C)cc1	5573030	SPGVBTSNMKDMSL-UHFFFAOYSA-N	238.341	2.318	50	40	BEGB	
CC(/C=C/c1ccc(C)cc1)=N\NC(N)=O	16940777	WSUKPCLIPVWORY-HNTZWPLZSA-N	217.272	2.052	50	40	BEGB	
O=C/C=C/C=C/c1ccc2c(c1)OCO2	32235329	JGTLDSRAUATRLK-ZPUQHVIOSA-N	202.209	2.184	50	40	BEGB	
NNC(=O)c1cc2cc(Cl)ccc2s1	95215875	WAOLRUJWQKXHRP-UHFFFAOYSA-N	226.688	2.158	50	40	BEGB	
O=C(CCl)Nc1ccnn1C1CCCC1	3395043	VVPXUSLPXNZCPS-UHFFFAOYSA-N	227.695	2.176	50	40	BEGB	in-vitro
Clc1nccnc1CBr	72194544	RZFUYJOAJOPEDH-UHFFFAOYSA-N	207.458	2.025	50	40	BEGB	
O=C=Nc1nc(C(F)(F)F)n2ccccc12	215492501	CUWCTEXQYJWOPA-UHFFFAOYSA-N	227.145	2.320	50	40	BEGB	
CC(=O)N/N=C/c1cc(C)n(C(C)(C)C)c1C	409011659	HCCZVHNEROWQFZ-RIYZIHGNSA-N	235.331	2.330	50	40	BEGB	
ClCc1csc(N2CCCC2)n1	32010143	JZZYOBWZHGKHDE-UHFFFAOYSA-N	202.710	2.482	50	40	BEGB	
O=C(CCl)NCc1ccc(Cl)s1	58033213	DIJMRXLOJQVOSA-UHFFFAOYSA-N	224.112	2.257	50	40	BEGB	in-vitro
Nc1cccc([N+](=O)[O-])c1CBr	238626128	BAKGCUMFWYDXRJ-UHFFFAOYSA-N	231.049	2.072	50	40	BEGB	
N#C/C(=C\C=C\c1ccco1)C(=O)NC1CC1	2768580	CHUVYOGAFJTFCS-SNYYELSHSA-N	228.251	2.021	50	40	BEGB	
O=C(CCl)NC1CCC(C(F)(F)F)CC1	35222759	WIZQYCAFBSSKJN-UHFFFAOYSA-N	243.656	2.463	50	40	BEGB	in-vitro
COC(=O)N/N=C/c1ccc(SC)cc1	491919	LHIUPVGKDXWNRB-YRNVUSSQSA-N	224.285	2.098	50	40	BEGB	
COc1ccc(OC)c(/C=C/C(=O)Cl)c1	2574173	VNZYYMUFZJVDCK-ZZXKWVIFSA-N	226.659	2.482	50	40	BEGB	in-vitro
N#Cc1c(NC(=O)CCl)sc2c1CCC2	3885193	IFPYPHZLEFBRSS-UHFFFAOYSA-N	240.715	2.286	50	40	BEGB	
C/C(=N/NC(N)=O)[C@H]1CCCc2ccccc21	17162480	WXHRBMRTHZCPRT-PDICVPPASA-N	231.299	2.151	50	40	BEGB	
Clc1ccc(N2CCC[C@H](Cl)C2)nn1	72202878	CAKBDTRGSAJUFZ-ZETCQYMHSA-N	232.114	2.338	50	40	BEGB	
C[C@H]1CC(C)(C)C[C@@]2(CC(=O)OC2=O)C1	100915482	XQGJAQBFNIXTGN-UFBFGSQYSA-N	210.273	2.293	50	40	BEGB	
N#CC1=C(c2ccc(Cl)cc2)NC(=S)NC1	408718426	NSAODYOCQJEZOO-UHFFFAOYSA-N	249.726	2.052	50	40	BEGB	
CC(=O)c1c(C)[nH]c(C(=O)CCl)c1C	3270884	FAWXPXHWQQPVFU-UHFFFAOYSA-N	213.664	2.256	50	40	BEGB	in-vitro
C[C@H](CNC(=O)CCl)c1ccccc1	3410444	YFGRDOKFQFVYKR-SECBINFHSA-N	211.692	2.145	50	40	BEGB	
COc1ccc(C(=O)N/N=C\c2ccoc2)cc1	32709463	UCKIDAFAFFYCJD-ZSOIEALJSA-N	244.250	2.052	50	40	BEGB	
CN(CC1CC1)C(=O)/C(C#N)=C\c1ccco1	58527417	JEHBEHUHOAFXJH-XFFZJAGNSA-N	230.267	2.055	50	40	BEGB	
N#C/C(=C\c1cccc(-c2ccncc2)c1)C(N)=O	78938425	RBSRZVMJSOFOHL-NTEUORMPSA-N	249.273	2.141	50	40	BEGB	
COc1ccc([C@@H]2OC[C@@H](CCl)O2)cc1	1674902	ZHOGESWPZCQJQH-GHMZBOCLSA-N	228.675	2.348	50	40	BEGB	
C[C@@H](c1ccccc1)N(C)C(=O)CCl	4205434	QBURJKXCINMVEV-VIFPVBQESA-N	211.692	2.445	50	40	BEGB	
CCC(CC)CNC(=O)C(Cl)Cl	1655498	NWDLHCTVBFBLEW-UHFFFAOYSA-N	212.120	2.343	50	40	BEGB	
Cc1cc(C(=O)O)c(O)c(SC#N)c1C	57339854	YGEXMHLJTCOHBT-UHFFFAOYSA-N	223.253	2.280	50	40	BEGB	
CCc1ccccc1N/C=C(\C#N)C(N)=S	101848597	UDFBUWIRBOXRBV-CSKARUKUSA-N	231.324	2.354	50	40	BEGB	
OB(O)C=C(c1ccccc1)c1ccccc1	196687371	VAKKDBBXNSOJMK-UHFFFAOYSA-N	224.068	2.130	50	40	BEGB	
CCn1nc(C)cc1CBr	85166096	BIIPEECYFOORIO-UHFFFAOYSA-N	203.083	2.106	50	40	BEGB	
CC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	278695	HZNDBXQQYMISPZ-PRHODGIISA-N	246.310	2.380	50	40	BEGB	
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C	3293371	DBNMDTVKDWABTM-LURJTMIESA-N	243.690	2.228	50	40	BEGB	
N#CS[C@H](C#N)[C@@H](C#N)c1ccccc1	11690619	FFDGJFFHPKCGCN-WDEREUQCSA-N	213.265	2.400	50	40	BEGB	
CC(=O)N/N=C1/CC(C)(C)[C@H]2CC[C@@H]1C2	8655963	WUEKNJXUHBWDRN-XTOPUIKQSA-N	208.305	2.325	50	40	BEGB	
CCOc1cc(C(=O)Cl)ccc1OC	33433343	FVPSRCQVHSLSOT-UHFFFAOYSA-N	214.648	2.473	50	40	BEGB	
O=C(CCCl)N[C@@H]1C[C@@H]1c1ccccc1	1726857	QMAYBXYLXMEPOA-GHMZBOCLSA-N	223.703	2.288	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(=O)NC(C)C)s1	5131310	MWOITDLWYIJALM-UXBLZVDNSA-N	234.324	2.488	50	40	BEGB	
CC(C)(O)c1cccc(CBr)n1	114048932	QWNXNHDKTIUGQB-UHFFFAOYSA-N	230.105	2.204	50	40	BEGB	
O=C(NNc1ccccc1)[C@H]1CC1(Cl)Cl	120468832	RQPVWTXUBKELOW-MRVPVSSYSA-N	245.109	2.324	50	40	BEGB	
O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)C(Cl)Cl	1569614	XVNAYJMJVIAOHN-XLPZGREQSA-N	236.142	2.343	50	40	BEGB	
CCCCOc1ccc(/C=C(\C#N)C(N)=O)cc1	20583513	MYBUXHQIUKKBMD-FMIVXFBMSA-N	244.294	2.258	50	40	BEGB	
O[C@H](CBr)c1cccc(F)c1	32914675	DEDQEPMGJUPGHH-MRVPVSSYSA-N	219.053	2.254	50	40	BEGB	
C[C@@H](C1CC1)n1nccc1NC(=O)CCl	38341981	AWRATXLUMIOEEM-ZETCQYMHSA-N	227.695	2.031	50	40	BEGB	
COC(=O)c1ccc([C@@H](Cl)C#N)cc1	96509883	UCFMUFYUGHRECA-VIFPVBQESA-N	209.632	2.277	50	40	BEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2)o1	342943	OOBZIEVUOGISGN-RIYZIHGNSA-N	244.250	2.058	50	40	BEGB	
Cc1ccsc1/C=C(\C#N)C(=O)N(C)C	4705373	CXNGTVODVBHBDY-RMKNXTFCSA-N	220.297	2.052	50	40	BEGB	
O=N[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1Br	5031310	CCBBPMCQJUZJQU-BNHYGAARSA-N	202.051	2.091	50	40	BEGB	
O=C(CCl)Cc1cc(F)cc(F)c1	47219205	UPHFEUIVWWQICX-UHFFFAOYSA-N	204.603	2.315	50	40	BEGB	
Fc1ccccc1Cn1cc(CCl)nn1	52225883	VSXPYKYRXZENFJ-UHFFFAOYSA-N	225.654	2.204	50	40	BEGB	
CC(C)OC(=O)Cc1nc(CCl)cs1	22145381	LHYDYCXHUPTVDM-UHFFFAOYSA-N	233.720	2.376	50	40	BEGB	
C[C@@H]1CCCC[C@H]1N(C)C(=O)CCl	37654103	BOYKEHUDPWIENY-RKDXNWHRSA-N	203.713	2.262	50	40	BEGB	in-vitro
CC(C)[C@H](Br)C(=O)NC1CCCC1	19428647	WJGPMEBCUHKVLX-VIFPVBQESA-N	248.164	2.465	50	40	BEGB	
Clc1nccc(CBr)n1	30677785	FONRFIJJNODTBH-UHFFFAOYSA-N	207.458	2.025	50	40	BEGB	
CCOc1ccc(CBr)nc1	86794943	OYAFKQZGMHEHEF-UHFFFAOYSA-N	216.078	2.375	50	40	BEGB	
NNC(=O)c1ccc(F)c(Oc2ccccc2)c1	216862989	PPCCUPKKOUPLKT-UHFFFAOYSA-N	246.241	2.222	50	40	BEGB	
C[Si](C)(C)OC(=O)C(F)(F)Br	1565683402	SVYISSVHWRUJBW-UHFFFAOYSA-N	247.111	2.352	50	40	BEGB	
O=C(Cl)C1[C@@H]2C[C@@H]1[C@@H](Cl)[C@H]2Cl	104187260	XHWJSNKVSWZPAV-CWWYDYSWSA-N	213.491	2.233	50	40	BEGB	
Fc1ccc(Cn2cnnc2CCl)cc1	149844938	GXHYIUNVPQAZID-UHFFFAOYSA-N	225.654	2.204	50	40	BEGB	
Cc1nn(C)c2c1C(C=O)=C[C@H](C(C)(C)C)N2	225815298	PCENSMVDKKZDIC-SNVBAGLBSA-N	233.315	2.151	50	40	BEGB	
O=C(Nc1cccc([N+](=O)[O-])c1)C(Cl)Cl	3197140	MJSNGWQBPBCMJV-UHFFFAOYSA-N	249.053	2.337	50	40	BEGB	
BrCCCOC[C@H]1CCCCO1	34959633	XKUMHXBVACTUFZ-SECBINFHSA-N	237.137	2.357	50	40	BEGB	in-vitro
O=C(O)[C@H](Br)CCc1ccccc1	5851728	DJQJKQPODCNTSE-SECBINFHSA-N	243.100	2.467	50	40	BEGB	in-vitro
CS(=O)(=O)/C(C#N)=C/c1ccccc1Cl	7713955	CYORRGNVISVPFX-RMKNXTFCSA-N	241.699	2.249	50	40	BEGB	
Cc1nc(C)c(C(=O)CBr)s1	26506288	PLUIFJAYRBVUDM-UHFFFAOYSA-N	234.118	2.338	50	40	BEGB	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Cl	78773672	MNPNBAKLSZRZBM-SSDOTTSWSA-N	233.695	2.151	50	40	BEGB	
COC(=O)/C(C#N)=C/c1cccc(Cl)c1	324542	LDQYGGFWFYTIFZ-WEVVVXLNSA-N	221.643	2.420	50	40	BEGB	
C[C@@H](Cl)C(=O)N(C)Cc1ccccc1	3319649	RWFBLVRENQLMHX-SECBINFHSA-N	211.692	2.272	50	40	BEGB	
CC(C)n1nccc1NC(=O)[C@@H](C)Cl	3394486	YIYHEKWPQOHKFS-SSDOTTSWSA-N	215.684	2.030	50	40	BEGB	
CO[C@H](Br)C(=O)c1ccccc1	34581620	AKLKIGMEFVPQFJ-VIFPVBQESA-N	229.073	2.237	50	40	BEGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1	59333547	BVDPJWZETZTHDY-YFHOEESVSA-N	234.686	2.335	50	40	BEGB	
CC(C)=NNC(=O)c1cccc([N+](=O)[O-])c1C	408784546	UMWPYHHQCUZFRQ-UHFFFAOYSA-N	235.243	2.029	50	40	BEGB	
CCC/C(=N\NC(N)=O)C1=CCCCC1	4983884	NTRGSXHXHYIOPG-JLHYYAGUSA-N	209.293	2.311	50	40	BEGB	
CSC(=O)N/N=C/c1cccs1	5527647	KUMVEKCIXHGFFW-VMPITWQZSA-N	200.288	2.155	50	40	BEGB	
CCOC(=O)N/N=C\c1ccccc1Cl	31687220	LTLZDSGFCLHDRK-GHXNOFRVSA-N	226.663	2.420	50	40	BEGB	
CC(=O)NN(C)c1cccc2ccccc12	36533206	DGIPHNGZEJBGDK-UHFFFAOYSA-N	214.268	2.327	50	40	BEGB	
CC(=O)N/N=C1\C[C@@H]2CC[C@]1(C)C2(C)C	101419527	FFTKQXMPLXIUPM-CBUPWXSWSA-N	208.305	2.325	50	40	BEGB	
CCS[C@H]1CC(C#N)=CC[C@H]1OC(C)=O	4267660	XYHALCDBIONIDS-MNOVXSKESA-N	225.313	2.284	50	40	BEGB	biogenic
Cc1ccccc1C[C@@H](C)NC(=O)CCl	37654252	IFOPZGCPCZOVRC-SNVBAGLBSA-N	225.719	2.281	50	40	BEGB	in-vitro
FC(F)(F)c1ncc(CBr)cn1	39121213	LAZGEURDWNHKNA-UHFFFAOYSA-N	241.010	2.390	50	40	BEGB	
ClCc1cnnn1Cc1ccccc1	72187031	NLVIOGUZXPTZKY-UHFFFAOYSA-N	207.664	2.065	50	40	BEGB	
Br[C@@H]1CCC[C@@H](Br)N1	100232826	KUJVSBNVZUZOMF-WHFBIAKZSA-N	242.942	2.202	50	40	BEGB	
C[C@@H]1C[C@H]2O[C@@]2(C)C[C@@H]1[C@@H]1OC[C@H](CCl)O1	5530378	RWLBJPNYLMZBCM-DDYHOKDCSA-N	246.734	2.170	50	40	BEGB	
O=C(NC1CC1)[C@H](Cl)c1ccc(F)cc1	50981808	LTFRSAZFUQYBHO-SNVBAGLBSA-N	227.666	2.384	50	40	BEGB	in-vitro
O=C(Cc1ccccc1)NNCc1ccccc1	1689428	DVAORCGVVIHETB-UHFFFAOYSA-N	240.306	2.050	50	40	BEGB	
CC(C)(O)/C(=C\C#N)n1cnc2ccccc21	5567118	MXKHCJNZMZUCKU-KPKJPENVSA-N	227.267	2.172	50	40	BEGB	
CC(C)=NNC(=O)c1ccc(C)c([N+](=O)[O-])c1	6278624	DHXMDVKIRNLZHP-UHFFFAOYSA-N	235.243	2.029	50	40	BEGB	
CC1=C(/C=N\NC(N)=O)[C@@H](C)c2ccccc21	33368528	PRCIILUEVISNEC-IIVQSHCLSA-N	229.283	2.231	50	40	BEGB	
C[C@@H]1N=C2CCCCN2C(=O)[C@H]1CCCl	35856033	AQAXLTAHQHWEIN-IUCAKERBSA-N	228.723	2.045	50	40	BEGB	
O=C1c2cccc(F)c2O[C@@H]1Br	98210844	GFQSXLSRQROHND-QMMMGPOBSA-N	231.020	2.122	50	40	BEGB	
O=C(CCl)c1ccnc(Br)c1	199539752	ZDUCBPJLKNVIRH-UHFFFAOYSA-N	234.480	2.266	50	40	BEGB	
CO[Si](/C=C\c1ccccc1)(OC)OC	199897308	JRSJRHKJPOJTMS-KTKRTIGZSA-N	224.332	2.117	50	40	BEGB	
N#CC(C#N)=CNc1cc(C(F)(F)F)ccn1	13208286	SRIUHUKRUVQUKV-UHFFFAOYSA-N	238.172	2.443	50	40	BEGB	
COc1ccc(CCl)c(C(=O)O)c1	66325737	FAKZMXRROHTGOM-UHFFFAOYSA-N	200.621	2.132	50	40	BEGB	
CC(C)=NNC(=O)c1c(C)nc2cc(C)ccn12	51848	NQRDMPGSWICDCX-UHFFFAOYSA-N	244.298	2.077	50	40	BEGB	
O=C(NCCCl)n1ccc2ccccc21	3161418	RREDHYWXESDAFZ-UHFFFAOYSA-N	222.675	2.438	50	40	BEGB	
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Cl	12410076	GYINOGHSYTZVDH-HRDYMLBCSA-N	203.713	2.403	50	40	BEGB	in-vitro
COC(=O)[C@@H](Cl)c1cc(OC)cc(OC)c1	50978031	RWNHCMSKBLURNY-JTQLQIEISA-N	244.674	2.157	50	40	BEGB	in-vitro
CCc1cc(SC#N)c(O)c(C(=O)O)c1	57339054	UXVJKLPFMOLSGI-UHFFFAOYSA-N	223.253	2.226	50	40	BEGB	
O=C1C[C@H]2[C@@H]3C[C@H]4[C@H]([C@@H](Br)C[C@@H]24)[C@@H]13	104107370	MXVLNNRANFLZHC-WMIJUWBBSA-N	241.128	2.241	50	40	BEGB	
CC(=O)NNc1nc2ccccc2n1C(C)C	218825665	NYQPVMQRWLJEJD-UHFFFAOYSA-N	232.287	2.080	50	40	BEGB	
CC(C)=CC1=CC(C#N)(C#N)C(C#N)=C(O)O1	35324026	MKGSZWKKOWIISL-UHFFFAOYSA-N	227.223	2.193	50	40	BEGB	
O=C(CCl)Nc1ccc(Cl)cc1O	72207588	OGFGSOMJHKBCKL-UHFFFAOYSA-N	220.055	2.223	50	40	BEGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(N)=S	3056377	YGJSREKVWCOLRY-VMPITWQZSA-N	227.292	2.361	50	40	BEGB	
CCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5686234	GEZUBMDKXSLRTA-XCBNKYQSSA-N	246.314	2.324	50	40	BEGB	
Br[C@H]1CCCCCC12OCCO2	1734351	CUPUHWFXOULUCT-QMMMGPOBSA-N	235.121	2.457	50	40	BEGB	
N#CC(C#N)=CNc1ccc(F)cc1F	2549804	QOYQCUNUXMVIMF-UHFFFAOYSA-N	205.167	2.308	50	40	BEGB	
O=C(CCl)Nc1cc(C(=O)O)ccc1Cl	2650205	CQNMKYGPZOUVJF-UHFFFAOYSA-N	248.065	2.216	50	40	BEGB	
CC[C@H](C)NC(=O)[C@H](Br)C(C)C	19429602	FOIQOQJYXJRHIR-JGVFFNPUSA-N	236.153	2.321	50	40	BEGB	
O=C1[C@H]2[C@@H]3C[C@H]4[C@@H](C=C[C@H]24)[C@H]3[C@H]1Br	261361235	SHVDPBAXIYITKD-ACYDLGIFSA-N	239.112	2.017	50	40	BEGB	
C=COC[C@@H](Br)C(F)(F)F	1083809781	IKMRTKDVIUIGKR-SCSAIBSYSA-N	219.000	2.472	50	40	BEGB	
FCCOc1ccc(CBr)cn1	1776010748	UTTYXFAZQOLNIO-UHFFFAOYSA-N	234.068	2.325	50	40	BEGB	
C[C@@H](Cl)C(=O)Nc1ccccc1C#N	3887310	MZYSTFJMQJLNJX-SSDOTTSWSA-N	208.648	2.124	50	40	BEGB	in-vitro
C[C@@H](Cl)C(=O)Nc1ccc(CC#N)cc1	35222655	MNMYPCNKEUDUTM-MRVPVSSYSA-N	222.675	2.318	50	40	BEGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)C(C)C	370244	RRUGYECDFRNXEA-NTEUORMPSA-N	248.282	2.177	50	40	BEGB	
OCc1ccc(N(CCCl)CCCl)cc1	1689163	AVWPNWRLJWMWPD-UHFFFAOYSA-N	248.153	2.463	50	40	BEGB	
CC(=O)O[C@H]1C[C@H]2CC[C@@H]1[C@@H]2Br	4991674	DPSPXRTZVZNQIK-RYPBNFRJSA-N	233.105	2.112	50	40	BEGB	
CC(C)(C)Oc1cccc([C@H](N=C=O)C(=O)O)c1	71791679	ONPHWAWDGPNLCS-NSHDSACASA-N	249.266	2.325	50	40	BEGB	
CC(C)=NNC(=O)c1ccccc1Cl	381280	MEINLZMLWYRLTL-UHFFFAOYSA-N	210.664	2.466	50	40	BEGB	
C[C@@H](CNC(=O)CCl)c1ccccc1	3410441	YFGRDOKFQFVYKR-VIFPVBQESA-N	211.692	2.145	50	40	BEGB	
O=C(Cl)C1CCN(c2ccncc2)CC1	38339545	NBHZSEHHFDGJEZ-UHFFFAOYSA-N	224.691	2.063	50	40	BEGB	
Cc1ccccc1[C@@H](O)CBr	45817350	HKGSZCJQAJGFDF-VIFPVBQESA-N	215.090	2.423	50	40	BEGB	
CCO[C@@H](C)OC(C)(C)/C(=C/C#N)n1ccnc1	5399093	LKOOGEIUIMYVAF-MDUDVEDUSA-N	249.314	2.425	50	40	BEGB	
CC(C)(C)OC(=O)N1C(=O)C[C@@]1(C)CCl	72481918	IIRYVRDXLKQFNR-JTQLQIEISA-N	233.695	2.151	50	40	BEGB	
COC(=O)[C@@H](Br)c1ccccc1F	82553274	JILMPHBWGHVZJX-QMMMGPOBSA-N	247.063	2.435	50	40	BEGB	in-vitro
Cc1nc([C@H](Br)C#N)cs1	126779872	PKSYNOJDSGIPPB-RXMQYKEDSA-N	217.091	2.411	50	40	BEGB	
Cl[C@@H]1O[C@@H](Cl)[C@@H](Cl)O[C@@H]1Cl	100368591	YLVGPWIKMNWIOD-GNSDDBTRSA-N	225.886	2.293	50	40	BEGB	
FC(F)(F)c1cccn2c(CCl)nnc12	228962024	PAUVFMLDIHANCB-UHFFFAOYSA-N	235.596	2.487	50	40	BEGB	
CCc1ccc(CN(C)C(=O)CCl)cc1	8264263	IGUFACRNTWAIKZ-UHFFFAOYSA-N	225.719	2.446	50	40	BEGB	
O=C1CCCc2cc(C(=O)CCl)ccc2N1	11730077	MAJXTRQJGGDABT-UHFFFAOYSA-N	237.686	2.383	50	40	BEGB	
Cc1ccccc1CNC(=O)[C@H](C)Cl	37389531	FDPIBKCVWXAKHK-VIFPVBQESA-N	211.692	2.239	50	40	BEGB	in-vitro
N=C(N)c1ccc(F)c(CBr)c1	199765858	ZVTPNAUWOVBCPE-UHFFFAOYSA-N	231.068	2.005	50	40	BEGB	
ClCCNCCCSCCCl	1591263	YPQCOZIQKKSFDC-UHFFFAOYSA-N	216.177	2.177	50	40	BEGB	
CN(C)/C=C(\C#N)c1ccc2cccnc2n1	72191333	RKQFGPIHXPSFCI-PKNBQFBNSA-N	224.267	2.056	50	40	BEGB	
CO/C(C)=C(\C#N)c1ccccc1[N+](=O)[O-]	4273478	YHQNCTAMUBGFBL-CSKARUKUSA-N	218.212	2.496	50	40	BEGB	
COc1cccc(N(N)C(=O)OC(C)(C)C)c1	65735074	FCLSOWMUJVJPRQ-UHFFFAOYSA-N	238.287	2.310	50	40	BEGB	in-vitro
Cc1ccc(O)c(C(=O)CBr)c1	2511016	JHEBTDDCIHXQSK-UHFFFAOYSA-N	229.073	2.278	50	40	BEGB	
CCOC(=O)N/N=C\C=C\c1ccccc1	15930440	GHFWPCYPKJTPCJ-AWTKBBGNSA-N	218.256	2.432	50	40	BEGB	
Cc1cccc2sc(C(=O)NN)c(Cl)c12	19737270	ATGXTSRTLFBEHI-UHFFFAOYSA-N	240.715	2.467	50	40	BEGB	
Oc1ccc(CBr)cc1F	199560976	LMBXLBVUCQHCRB-UHFFFAOYSA-N	205.026	2.426	50	40	BEGB	
Cc1cn2c(C(=O)Cl)cnc2s1	256052557	NUWTZJVNTZVLSO-UHFFFAOYSA-N	200.650	2.083	50	40	BEGB	
N#C[C@H](Br)CC(F)(F)F	575454421	UHYQCIQXMJWSMY-GSVOUGTGSA-N	201.973	2.226	50	40	BEGB	
C/C(=N\NC(N)=O)[C@@H]1C[C@]2(C)CC[C@@H]1C2(C)C	100363141	VFLILMXHJULMAP-JATXICLMSA-N	237.347	2.493	50	40	BEGB	
CC(C)=C[C@@H]1C=C(C)[C@@H](C)[C@H]2C(=O)OC(=O)[C@H]12	108559237	WGCKYCGUJYPRCV-DDHJBXDOSA-N	234.295	2.481	50	40	BEGB	
CCCCn1c(CC(C)C)ccc1C(=O)NN	226023061	BONQQNTXPURDGK-UHFFFAOYSA-N	237.347	2.090	50	40	BEGB	
O=[P@]1(CCl)COCc2ccccc21	64031	REHZHKKTBZYWAD-CYBMUJFWSA-N	216.604	2.359	50	40	BEGB	
Cc1nc2sccn2c1C=C(C#N)C#N	12559112	LMAGMQWDQXFSLT-UHFFFAOYSA-N	214.253	2.135	50	40	BEGB	
C[C@@H]1CCCN(C(=O)CCCCl)C1	1733492	TXADQOXZTQSQRG-SECBINFHSA-N	203.713	2.264	50	40	BEGB	
COc1cc(C(=O)[C@H](C)Cl)ccc1O	71455475	RSGCVNHRLABSCX-LURJTMIESA-N	214.648	2.211	50	40	BEGB	
COc1ccc(NC(=O)NCCCl)cc1C	4503459	WJGXTSCNRYCXIE-UHFFFAOYSA-N	242.706	2.364	50	40	BEGB	
N#Cc1ccccc1NC(=O)CCCl	5897945	POIJQLFEUWZNHB-UHFFFAOYSA-N	208.648	2.126	50	40	BEGB	in-vitro
Cl[C@@H]1[C@H](Cl)[C@H]2C[C@@H]1[C@@H]1[C@H]2C[C@H]2O[C@H]12	104261610	UVOJEOIBCUNYLY-NWPBPMDPSA-N	219.111	2.254	50	40	BEGB	
Nc1ccc(C(=O)NN=C2CCCCC2)cc1	136356	OLCOMHSUQYYKOG-UHFFFAOYSA-N	231.299	2.319	50	40	BEGB	
C/C=N/NC(=O)c1ccc(Br)cc1	4578521	SCAJJXLAXNOALH-BIIKFXOESA-N	241.088	2.185	50	40	BEGB	
C[C@H]1C[C@H]2O[C@@]2(C)C[C@@H]1[C@@H]1OC[C@H](CCl)O1	5534264	RWLBJPNYLMZBCM-WUFAPUTGSA-N	246.734	2.170	50	40	BEGB	
C/C=C\CC/C(=N/NC(N)=O)c1ccccc1	17430032	SPVDEMVQYOTTCF-HYSFRSPOSA-N	231.299	2.415	50	40	BEGB	
CCOC(=O)N/N=C\c1ccccc1OCC	31687215	IRLIIJWNOQQCID-LCYFTJDESA-N	236.271	2.165	50	40	BEGB	
N#C[C@@H](O)c1ccc(Br)cc1F	59261491	KIHZCXGBIKZKML-MRVPVSSYSA-N	230.036	2.145	50	40	BEGB	in-vitro
C/C(=N\NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@H]1C2(C)C	103212577	VFLILMXHJULMAP-IGAZSKJDSA-N	237.347	2.493	50	40	BEGB	
C[C@@H]1C=C[C@H](c2ccccc2)[C@H]2C(=O)OC(=O)[C@H]12	104183480	DRAQQDZPAHZFFN-OJAKKHQRSA-N	242.274	2.292	50	40	BEGB	
NC(=O)N/N=C1\C=C[C@@]2(CC=CCC2)CC1	5600353	NHBCPECHRVEKFI-LQELWAHVSA-N	219.288	2.087	50	40	BEGB	
O=C(O)c1ccc(OCCCCl)cc1	2163685	KSMVTYHRIQLEHS-UHFFFAOYSA-N	214.648	2.393	50	40	BEGB	
C[C@@H](Cl)C(=O)c1ccc2c(c1)OCO2	31893264	DOYTXVAKUSDRMY-ZCFIWIBFSA-N	212.632	2.225	50	40	BEGB	
CC(C)=C1[C@@H]2CC/C(=N\NC(N)=O)[C@H]1CC2	43761559	GGDFQMOYBOBMDF-FGASFRCZSA-N	221.304	2.167	50	40	BEGB	
CC(=O)[C@@H](Cl)C(=O)Nc1ccc(Cl)cc1	160947	NJPWQDYWOXAZIE-SECBINFHSA-N	246.093	2.475	50	40	BEGB	
Cc1cccc(C)c1NC(=O)CSC#N	5548765	BZLGVTOEGZHZPP-UHFFFAOYSA-N	220.297	2.456	50	40	BEGB	
ICCC1CCOCC1	95077159	DMFPKHPJSREPBI-UHFFFAOYSA-N	240.084	2.238	50	40	BEGB	
C[C@H](Cl)C(=O)N[C@@H]1CCCC[C@@H]1C	12504684	WYGRWDASSJWJGQ-XHNCKOQMSA-N	203.713	2.309	50	40	BEGB	in-vitro
O=C(N/N=C\c1ccsc1)c1ccco1	38204540	NXYNCQGRWZUSFH-WDZFZDKYSA-N	220.253	2.105	50	40	BEGB	
FC(F)(F)C(F)(F)COCCCl	72265702	KPQGHIPOHODDHU-UHFFFAOYSA-N	212.545	2.439	50	40	BEGB	
CN(C)C(=O)[C@@]12CC[C@H](C[C@@H]1Br)C2	104106344	PPKHWGBZVYUOKV-KHQFGBGNSA-N	246.148	2.028	50	40	BEGB	
O=C1O[C@@H](Br)c2cc(F)ccc21	169797475	FCFKDGLHMKVZAJ-SSDOTTSWSA-N	231.020	2.390	50	40	BEGB	
C[Sn](C)(Cl)CCl	195775816	XQIOZGOFDFMEKH-UHFFFAOYSA-M	233.714	2.208	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cccnc1	225697785	VHKDIJVGHHZMCU-FFHOYIHNSA-N	241.294	2.009	50	40	BEGB	
COC(=O)N/N=C/c1c(C)n(C)c2ccccc12	178250	PCAYOTQRWMYSHS-RIYZIHGNSA-N	245.282	2.177	50	40	BEGB	
COP(=O)(CCCBr)OC	1723484	XKITUVWHONUREI-UHFFFAOYSA-N	231.026	2.257	50	40	BEGB	
C[C@H]1C[C@H](C)CN(C(=O)C(Cl)Cl)C1	2801462	DNCDSNLYLJBYCY-BQBZGAKWSA-N	224.131	2.295	50	40	BEGB	
Cc1ccc(C)c(S(=O)(=O)CCCl)c1	3379279	HLINWILSHIFWQK-UHFFFAOYSA-N	232.732	2.316	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)c2cccs2)o1	13115329	NNEKWNNVBLRZKH-GHXNOFRVSA-N	234.280	2.413	50	40	BEGB	
O=C=NCc1ccc(OC(F)(F)F)cc1	65335480	KUJMVQREQZBJPG-UHFFFAOYSA-N	217.146	2.421	50	40	BEGB	
O=C(NN=C1CCCC1)c1cccc(F)c1	6331306	CWTXJPHTGMVAPY-UHFFFAOYSA-N	220.247	2.486	50	40	BEGB	
O=C(N/N=C\c1ccccc1O)c1ccccc1	16970311	WKIWEDKDZPIULI-GDNBJRDFSA-N	240.262	2.156	50	40	BEGB	
Cc1ccc(CNC(=O)[C@@H](C)Cl)cc1	12504919	BUITZLONWBSHSB-SECBINFHSA-N	211.692	2.239	50	40	BEGB	in-vitro
COc1cc(CCl)c(C=O)c(OC)c1	34181256	CWVSEGISKNEBPD-UHFFFAOYSA-N	214.648	2.255	50	40	BEGB	
O=C(O)[C@H](Br)Cc1ccccc1F	77404424	CAFIIKMFMMHZQI-SSDOTTSWSA-N	247.063	2.216	50	40	BEGB	
CS(=O)(=O)SC(Cl)(Cl)Cl	4900170	HMCPBMCDBFVQMU-UHFFFAOYSA-N	229.537	2.007	50	40	BEGB	
Cc1cc(C(=O)N/N=C\c2ccco2)c(C)o1	5538918	LHMSRICAIQLHPI-QPEQYQDCSA-N	232.239	2.253	50	40	BEGB	
O=C(CCCl)Nc1ccccc1[N+](=O)[O-]	5584064	DULRZGMBDVZDSR-UHFFFAOYSA-N	228.635	2.162	50	40	BEGB	in-vitro
COC(=O)c1ccccc1C(=O)[C@@H](C)Cl	308825268	RCMINGWPCJESOC-SSDOTTSWSA-N	226.659	2.283	50	40	BEGB	
CC(C)=NNC(=O)COc1ccc(Cl)cc1	580472	WJDSRCDSZJRTLS-UHFFFAOYSA-N	240.690	2.231	50	40	BEGB	
CC(C)CC(=O)NN(C)c1ccccc1	3160832	HVCFELMLERDHHY-UHFFFAOYSA-N	206.289	2.200	50	40	BEGB	biogenic
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CCl	3411313	DZRYFGTYICDZET-ZCFIWIBFSA-N	243.656	2.415	50	40	BEGB	
CN(C)C(=O)/C(C#N)=C\C=C\c1ccccc1	59333577	WVTDWWBYWUXRDF-AWTKBBGNSA-N	226.279	2.238	50	40	BEGB	
Cc1oc(NC(=O)[C@H](C)Cl)c(C#N)c1C	68580998	BDXXYIKLFKYROR-LURJTMIESA-N	226.663	2.334	50	40	BEGB	in-vitro
Cc1c(NC(=O)[C@@H](C)Cl)cccc1[N+](=O)[O-]	20206602	ROIXQTBBMRWRER-SSDOTTSWSA-N	242.662	2.469	50	40	BEGB	in-vitro
COC(=O)[C@@H](Cl)c1cccc(C#N)c1	70453740	ANUJRPHRZIUHOG-VIFPVBQESA-N	209.632	2.011	50	40	BEGB	in-vitro
CCOC(=O)/C(C#N)=C\Nc1ccc(F)cc1	100025812	ZOKKIXIAQHYRFY-HJWRWDBZSA-N	234.230	2.208	50	40	BEGB	
C[C@H](Cl)C(=O)N[C@@H]1CCOc2ccccc21	37389537	PLDHGUYEVLGTRL-WCBMZHEXSA-N	239.702	2.254	50	40	BEGB	in-vitro
O=C(CCl)N1CCCc2cccc(F)c21	12505835	VTFJAHBKYAKGFZ-UHFFFAOYSA-N	227.666	2.344	50	40	BEGB	in-vitro
O=C(Br)[C@@](F)(Cl)C(F)(F)F	16159140	ZIFBTORDHWTPEQ-REOHCLBHSA-N	243.381	2.375	50	40	BEGB	
ClCc1nc2ccc3ncccc3n2n1	148174663	OHIKBWXKOKGIID-UHFFFAOYSA-N	218.647	2.016	50	40	BEGB	
BrC/C=C\CBr	100018014	RMXLHIUHKIVPAB-UPHRSURJSA-N	213.900	2.332	50	40	BEGB	
CCCCC[C@H](Br)C(=O)O	2035993	NQRFAUVGDLHPGH-LURJTMIESA-N	209.083	2.415	50	40	BEGB	
OCCn1c(CCl)nc2ccc(Cl)cc21	3282836	MCADVUYKNOSAKC-UHFFFAOYSA-N	245.109	2.421	50	40	BEGB	
C[C@H](Cl)C(=O)N(C)C1CCCCC1	3316887	VXOMDVJGNBUFAL-QMMMGPOBSA-N	203.713	2.405	50	40	BEGB	
CCC[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21	96336756	ABWZNLONRFPVFA-SECBINFHSA-N	230.267	2.362	50	40	BEGB	
Cn1nc(C(F)(F)F)c(C(=O)Cl)c1Cl	2527525	YGIMKPAWLFTFLV-UHFFFAOYSA-N	247.003	2.471	50	40	BEGB	
CC(C)=NNC(=O)[C@@H]1CC=C[C@@H]1C(Cl)Cl	5181168	BCYYMWKWWPQFPX-JGVFFNPUSA-N	249.141	2.494	50	40	BEGB	
FC(F)(F)CN1CC[C@H](Br)C1	87752270	VHUPRWWRWHVROC-YFKPBYRVSA-N	232.043	2.018	50	40	BEGB	
NN(C(=O)c1ccccc1)c1ccccc1	361517	LACXDWHPYQPMCP-UHFFFAOYSA-N	212.252	2.207	50	40	BEGB	
O=[N+]([O-])c1cccc([C@H]2OC[C@@H](CCl)O2)c1	1679851	BKAKWQFHVRRSNA-ZJUUUORDSA-N	243.646	2.248	50	40	BEGB	
Cc1ccccc1C(=O)N/N=C1/CCCCCN1	3172483	IJWYUHGQIRDDOX-UHFFFAOYSA-N	245.326	2.202	50	40	BEGB	
COc1cc(N=C=O)ccc1-c1cnco1	16123573	HPVBHDMZEZWGKQ-UHFFFAOYSA-N	216.196	2.318	50	40	BEGB	
Cc1cccc(-n2nc(C)c(C(=O)Cl)n2)c1	45920308	DEMAOIULYNNTKJ-UHFFFAOYSA-N	235.674	2.263	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1702882	RQLJAVMXIHLZAY-UKTHLTGXSA-N	249.270	2.235	50	40	BEGB	
CC1(C)[C@@H](CBr)CC[C@]1(C)C(N)=O	3845933	DVZREXQMNIVJCX-GMSGAONNSA-N	248.164	2.309	50	40	BEGB	biogenic
CCCCOCCOCCOCCCl	5309387	BOLXYTYUHHXGOX-UHFFFAOYSA-N	224.728	2.075	50	40	BEGB	
C[C@H](C1CC1)N(C(=O)CCl)C1CC1	68583567	QFAFXMQORPJBHS-SSDOTTSWSA-N	201.697	2.015	50	40	BEGB	in-vitro
O=C(Cl)c1cc(Br)ccn1	95836263	MEVTURRFACALQI-UHFFFAOYSA-N	220.453	2.223	50	40	BEGB	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](Cl)[C@H]2C1	953055047	SUIXCOFQJVPFRX-JIGDXULJSA-N	217.696	2.091	50	40	BEGB	
O=[N+]([O-])c1cccc([C@@H]2OC[C@@H](CCl)O2)c1	1679852	BKAKWQFHVRRSNA-NXEZZACHSA-N	243.646	2.248	50	40	BEGB	
CC(=O)NNC(=O)Nc1cccc2ccccc12	3631636	LZPKAUXWYGSJPF-UHFFFAOYSA-N	243.266	2.012	50	40	BEGB	
N#C/C(=C\c1cccnc1)C(=O)NC1CCCC1	6633401	MHNGUWHTZWQHHO-XYOKQWHBSA-N	241.294	2.047	50	40	BEGB	
CC(=O)Nc1cccc(NC(=O)[C@H](C)Cl)c1	19438290	WVXROJCIUSNZGD-ZETCQYMHSA-N	240.690	2.211	50	40	BEGB	in-vitro
O=C(Cl)c1ccc(CN2CCCC2)o1	26438899	BVDNDYMOTKFFFN-UHFFFAOYSA-N	213.664	2.254	50	40	BEGB	
CCOc1ccc(C#N)c(CBr)n1	95098108	RSLVVNZLDSOFGT-UHFFFAOYSA-N	241.088	2.247	50	40	BEGB	
O=C1N[C@H](c2cccc(C(F)(F)F)c2)C(=O)O1	1772714804	XDWYVEKQPLIIDP-SSDOTTSWSA-N	245.156	2.013	50	40	BEGB	
CCOC(=O)/C(C#N)=C/N(C)Cc1ccccc1	1559148	JSNRBTVVDSMCCO-ACCUITESSA-N	244.294	2.089	50	40	BEGB	
C[C@@H](Cl)C(=O)C(C#N)=C1Nc2ccccc2N1	2649910	XKLDLVJCIVZXKF-SSDOTTSWSA-N	247.685	2.456	50	40	BEGB	
CCCN(CC)c1cc(N=C=O)ccn1	536951616	XNOPZRHFVCSEOX-UHFFFAOYSA-N	205.261	2.285	50	40	BEGB	
Cc1cc(O)c(NC(=O)CCl)cc1C	13608915	KDDWTSQUZPERSD-UHFFFAOYSA-N	213.664	2.186	50	40	BEGB	
O=C(CCl)Cc1ccc(F)c(F)c1	47219206	BBVRSAALAJWKQD-UHFFFAOYSA-N	204.603	2.315	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1ccccc1F	5315174	HAYFYQCUACVOEL-YFHOEESVSA-N	219.215	2.296	50	40	BEGB	
O=C(N/N=C\c1ccccc1)c1ccccc1O	31719335	MQVYZQJKLKKBNJ-GDNBJRDFSA-N	240.262	2.156	50	40	BEGB	
C[C@@H]1C(=O)Nc2ccc(C(=O)CCl)cc21	100489514	SAYAASKDUFAACE-LURJTMIESA-N	223.659	2.164	50	40	BEGB	in-vitro
NNC(=O)c1ccc(-c2ccsc2)cc1	238566875	CDJQACIASKSUQQ-UHFFFAOYSA-N	218.281	2.019	50	40	BEGB	
O=C(C[C@@H]1CCCC[C@@H]1O)NNc1ccccc1	1716489	QXHSBZRUGINJTA-AAEUAGOBSA-N	248.326	2.071	50	40	BEGB	
O=C(CCCl)N[C@H]1C[C@H]1c1ccccc1	1726860	QMAYBXYLXMEPOA-QWRGUYRKSA-N	223.703	2.288	50	40	BEGB	
C[C@@H](c1nccs1)N(C(=O)CCl)C1CC1	79436222	SQLBLWQOUQFYRC-ZETCQYMHSA-N	244.747	2.434	50	40	BEGB	
[C-]#[N+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1	106184441	ZJTPXLKZTWUFQN-SECBINFHSA-N	210.277	2.305	50	40	BEGB	
CCCN(CCC)C(=O)C(Cl)Cl	1682281	FNVDWIPIYNKYDK-UHFFFAOYSA-N	212.120	2.439	50	40	BEGB	
CN(NC(=O)Cc1ccccc1)c1ccccc1	5319627	UQWYPRZZFZWEOA-UHFFFAOYSA-N	240.306	2.397	50	40	BEGB	biogenic
Cc1ccc(O)c(NC(=O)[C@H](C)Cl)c1	41738266	UPOIUUHEKQDPCN-ZETCQYMHSA-N	213.664	2.266	50	40	BEGB	
O=C(NN=C1CCCCCCC1)[C@H]1CCCO1	43971113	OVQAFSOHKLYVDU-GFCCVEGCSA-N	238.331	2.382	50	40	BEGB	
N#C/C(=C\c1ccccc1)C(=O)N1CCCC1	3254283	RCDVTCFFHMZWET-JLHYYAGUSA-N	226.279	2.216	50	40	BEGB	
C[C@@]12CC3CC(CC(=O)NN)(C1)C[C@](C)(C3)C2	12402568	QSGUTXXGKBGRPA-AMZBWDOQSA-N	236.359	2.363	50	40	BEGB	
O=C1c2ccccc2OC[C@H]1Br	26478655	FTRRZJIVFMSIJJ-SSDOTTSWSA-N	227.057	2.025	50	40	BEGB	
CCC(=O)NNc1nc2c(C)cccc2s1	4121303	JZKQQUPJVWPXDO-UHFFFAOYSA-N	235.312	2.458	50	40	BEGB	
O=C(CCl)c1cccnc1Br	199539735	JHMFIGFQXSPEAO-UHFFFAOYSA-N	234.480	2.266	50	40	BEGB	
CN(C)CCOC(=O)c1cccc(CCl)c1	1720500	TZLJMDOXFSZPJS-UHFFFAOYSA-N	241.718	2.144	50	40	BEGB	
C[C@@]1(C(=O)NC2CCCC2)C[C@@H]1Br	2272245	DGAMAFULZGOSQN-WCBMZHEXSA-N	246.148	2.219	50	40	BEGB	
COc1ccc(SCC(N)=C(C#N)C#N)cc1	4024213	JFTCIJUASYKCSU-UHFFFAOYSA-N	245.307	2.047	50	40	BEGB	
CC/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1	13950272	JPFZCQZLHSQFPA-XYOKQWHBSA-N	235.243	2.111	50	40	BEGB	
COc1cccc(C(=O)N/N=C\c2ccoc2)c1	32578311	ZCODUCDFPBCABJ-ZSOIEALJSA-N	244.250	2.052	50	40	BEGB	
Cc1ccc(-n2c(C)cc(C(=O)NN)c2C)cc1	223700707	QBRIBZZKRHKLHP-UHFFFAOYSA-N	243.310	2.006	50	40	BEGB	
C/C(=N\NC(=O)c1cccnc1)C(C)(C)C	408767939	AMRMSGVLIZLTBT-NTEUORMPSA-N	219.288	2.233	50	40	BEGB	
CCO[C@@H](Br)CBr	5861284	YNQUMIFEHUKSMO-SCSAIBSYSA-N	231.915	2.139	50	40	BEGB	
CC(=O)c1ccccc1NC(=O)[C@H](C)Cl	8269611	BUZYMCIZGRSBMA-ZETCQYMHSA-N	225.675	2.455	50	40	BEGB	in-vitro
IC[C@@H]1CCCCCO1	14983052	GGGYXZYJTQDNEZ-ZETCQYMHSA-N	240.084	2.381	50	40	BEGB	
CN(C)/C=C(\C#N)C(=O)c1ccc(Cl)cc1	29753685	BVQNAFCXKKEMQX-CSKARUKUSA-N	234.686	2.492	50	40	BEGB	
N#C/C(N)=C(C#N)/N=C/c1c(F)cccc1Cl	100429633	HNIDQTXEILTQGU-JWUWQZCUSA-N	248.648	2.115	50	40	BEGB	
CC/C(C)=N/NC(=O)[C@@H](OC)c1ccccc1	408719393	DGAZKKGDDGNZFG-LQELWAHVSA-N	234.299	2.276	50	40	BEGB	
NC(=O)[C@H](Cl)c1ccc(Br)cc1	4387783	FOLWCGJZWPBJNT-SSDOTTSWSA-N	248.507	2.214	50	40	BEGB	
C[C@H](COc1ccccc1)OC(=O)CCl	1586499	MZOAKFUQWZMKNF-SECBINFHSA-N	228.675	2.236	50	40	BEGB	
CC(=O)Oc1ccc(C=C(C#N)C#N)cc1	1712448	YFUZLOBPZJYAHQ-UHFFFAOYSA-N	212.208	2.042	50	40	BEGB	
CCC(=O)OC[C@@H](Br)C(F)(F)F	1083809210	YNBRVRWLLAHQKM-SCSAIBSYSA-N	249.026	2.265	50	40	BEGB	
NNC(=O)c1ccc(-c2ccccc2F)cc1	111197	JECYSDNNXSKYNP-UHFFFAOYSA-N	230.242	2.096	50	40	BEGB	
CC(C)/C=N/NC(=O)c1cc(Cl)ccc1O	370599	LYYNKVTVIWOSMS-AWNIVKPZSA-N	240.690	2.417	50	40	BEGB	
O=C=Nc1ccc(OC2CCOCC2)cc1	12370469	ZGNHUEWFJQLPDN-UHFFFAOYSA-N	219.240	2.212	50	40	BEGB	in-vitro
C/C(=N/NC(N)=O)[C@@H]1CCCc2ccccc21	17162478	WXHRBMRTHZCPRT-GPILYODUSA-N	231.299	2.151	50	40	BEGB	
COc1ccc(CCNC(=N)CCl)cc1	1731888	BSUOKLPPTXDYFD-UHFFFAOYSA-N	226.707	2.043	50	40	BEGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1cccnc1	5163214	GHMYJSXNZDOXCC-ABQLBJTMSA-N	231.299	2.378	50	40	BEGB	
C[C@H]1CC[C@@H]2CCCC[C@@H]2/C1=N/NC(N)=O	8652263	WWVLXISZVLCBQT-VRNBJFAPSA-N	223.320	2.247	50	40	BEGB	
CC1(C)OC[C@H](CCCBr)O1	8700006	ZFGLHRDEDKLBRF-ZETCQYMHSA-N	223.110	2.313	50	40	BEGB	
CC(=O)NNc1ccc2ccccc2c1	94992632	LWUIFVCVGRVEOB-UHFFFAOYSA-N	200.241	2.303	50	40	BEGB	
CC1=Nc2ccccc2NC(=O)[C@@H]1Cl	103015524	DLFNESQUMKGPQM-SECBINFHSA-N	208.648	2.339	50	40	BEGB	
C[C@@H](Cl)C(=O)NCCc1ccc(F)cc1	3887364	WOWKFKLKYPRKOR-MRVPVSSYSA-N	229.682	2.112	50	40	BEGB	in-vitro
N#CC1=C2Sc3ccccc3N2CCC1=O	5008933	HETGNYQUKKFONI-UHFFFAOYSA-N	228.276	2.307	50	40	BEGB	
CC(=O)N/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C	101419531	FFTKQXMPLXIUPM-SZPPSFLGSA-N	208.305	2.325	50	40	BEGB	
Cc1nn(C)c(C)c1/C=C(\C#N)c1ccccn1	16695776	RAJHQDIPTNNINC-XYOKQWHBSA-N	238.294	2.496	50	40	BEGB	
COc1ccccc1O[C@H](C)C(=O)Cl	33433334	INMRICQPQLUQGW-SSDOTTSWSA-N	214.648	2.228	50	40	BEGB	
COc1cc(CC(=O)Cl)cc(OC)c1OC	34606974	LDAQJWWSGNIDSE-UHFFFAOYSA-N	244.674	2.020	50	40	BEGB	
CC1(C)[C@]2(C)CC[C@]1(C(N)=O)[C@@H]2Br	100848702	OUSRFFNMRBJHKQ-BDODKLCJSA-N	246.148	2.062	50	40	BEGB	
CC(=O)OC[C@@H](Br)CC(F)(F)F	201989159	ALZXYDTVGRZURG-YFKPBYRVSA-N	249.026	2.265	50	40	BEGB	
CC(=O)Nc1ccc(NC(=O)CCl)cc1C	874080	FWCICMKFNWUIFQ-UHFFFAOYSA-N	240.690	2.131	50	40	BEGB	
O[C@@H]1CC[C@H]2C[C@H](CBr)[C@@H]1C2	2145589	ZGZKEENVMYNWHQ-UYXSQOIJSA-N	219.122	2.178	50	40	BEGB	
CCS(=O)(=O)Sc1ccc([N+](=O)[O-])cc1	5908810	KDFCMDVPSLXWQI-UHFFFAOYSA-N	247.297	2.037	50	40	BEGB	
NC(=O)N/N=C1/CCCCCC[C@H]2C[C@H]12	4664673	KZGDHRSXCJFQOY-GSHHHWRASA-N	209.293	2.001	50	40	BEGB	
C/C(=C\[C@H]1CC(=O)OC1=O)CC(C)(C)C	104364655	VAWNKQGQEGSSNK-QRJSTWQJSA-N	210.273	2.459	50	40	BEGB	
CN(C)c1cccc(NC(=O)NCCCl)c1	1614884	DXZKEJYVAVEBGR-UHFFFAOYSA-N	241.722	2.113	50	40	BEGB	
Oc1ccccc1OCCBr	136889323	IMISSWKAYOFVCN-UHFFFAOYSA-N	217.062	2.166	50	40	BEGB	
Fc1ccc([C@]2(CCl)CO2)c(F)c1	38339077	SPHILNHUYNCNSY-VIFPVBQESA-N	204.603	2.429	50	40	BEGB	
CN1CCCC/C1=N\C1=C(C#N)CCC1	12410393	GNOUZAUKEOHNJC-WYMLVPIESA-N	203.289	2.462	50	40	BEGB	
CCCCC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	31670239	RQLJAVMXIHLZAY-LCYFTJDESA-N	249.270	2.235	50	40	BEGB	
O[C@@H](CBr)c1ccccc1F	34452659	ATULJZJQJFRUFB-QMMMGPOBSA-N	219.053	2.254	50	40	BEGB	
[C-]#[N+]CCCOS(=O)(=O)c1ccc(C)cc1	104799648	MXVUQONAJMUUHG-UHFFFAOYSA-N	239.296	2.010	50	40	BEGB	
O=C(F)[C@@H](Br)CC(F)(F)F	1857787625	LRYWAFMHQKENPH-REOHCLBHSA-N	222.963	2.198	50	40	BEGB	
ClCc1nnc2cccc(Cl)n12	1394527	SCLUZCQITBRFGQ-UHFFFAOYSA-N	202.044	2.122	50	40	BEGB	
Br[C@@H]1CC[C@@H]2CNCC[C@@H]2C1	4277204	QSYBGLAAGQLQGI-IWSPIJDZSA-N	218.138	2.160	50	40	BEGB	
C[C@@H]1C/C(=C(/C#N)C(N)=O)CC(C)(C)C1	5527924	NNMMMCNFIAXMPR-KGSKPCQNSA-N	206.289	2.138	50	40	BEGB	
C/C(=N/NC(N)=O)[C@@H]1C[C@@]1(C)C(C)(C)C	13749579	CKQDLWSKFIVAEJ-LRJBRSAISA-N	211.309	2.103	50	40	BEGB	
C[C@@H](Cl)C(=O)c1ccc2c(c1)CCO2	19398672	BSZZJEADZFVDBB-SSDOTTSWSA-N	210.660	2.432	50	40	BEGB	
C[Si](C)(C)OC(=O)CC(F)(F)F	169806466	GBEDRAKRKDOWDE-UHFFFAOYSA-N	200.232	2.317	50	40	BEGB	
O=C(N/N=C/c1ccc[nH]1)c1ccccc1Cl	485214	DECXONDLBQUAQH-OVCLIPMQSA-N	247.685	2.432	50	40	BEGB	
C[C@@H](NC(=O)NCCCl)c1ccccc1	1673743	ICTVPPGDQKBWNY-SECBINFHSA-N	226.707	2.286	50	40	BEGB	
N#C/C(=C/c1ccccc1F)C(N)=S	5583195	DHZVWVHMVGKRJC-YVMONPNESA-N	206.245	2.019	50	40	BEGB	
O=C(CCl)Nc1cc2c(cc1Cl)OCO2	12505017	SDGJAQZTFXWSLN-UHFFFAOYSA-N	248.065	2.246	50	40	BEGB	
CCOC(=O)/C(C#N)=C\N(C)c1ccccc1	137068146	CVLAFMNVFCEXAY-KHPPLWFESA-N	230.267	2.093	50	40	BEGB	
O[C@H]1CC[C@H]2C[C@@H](CBr)[C@H]1C2	255004341	ZGZKEENVMYNWHQ-MAUMQABQSA-N	219.122	2.178	50	40	BEGB	
CCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5686243	GEZUBMDKXSLRTA-OIBJUYFYSA-N	246.314	2.324	50	40	BEGB	
Cc1csc(/C(C#N)=C(\O)CCl)n1	101508356	KOVRTHJBVNVKGB-SREVYHEPSA-N	214.677	2.483	50	40	BEGB	
O=C(CBr)COc1ccccc1	38549187	BXDZDFAFDNQZEY-UHFFFAOYSA-N	229.073	2.029	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1cccc(OC)c1	7542	LHWAGIDKCSEUAT-XFFZJAGNSA-N	231.251	2.165	50	40	BEGB	
CC(C)(C)C(=O)/C(C#N)=C/N1CCCC1	3131390	YJWKKEQLUPFZME-MDZDMXLPSA-N	206.289	2.105	50	40	BEGB	
Cc1nc(-c2cccc(C(=O)Cl)c2)no1	4277369	DANOKUDOZKTSKV-UHFFFAOYSA-N	222.631	2.424	50	40	BEGB	
O=C(N/N=C\c1cccc(O)c1)c1ccccc1	33329340	GSBPVFFDXCDAJS-GDNBJRDFSA-N	240.262	2.156	50	40	BEGB	
N#C[C@@H](C(=O)CBr)c1ccccc1	3445940	SOGLZSJNZSEDMH-SECBINFHSA-N	238.084	2.258	50	40	BEGB	
CN(C)/C=C(\C#N)c1ccc(Cl)nc1	23001818	UWEOWBUTVRKGGW-VQHVLOKHSA-N	207.664	2.161	50	40	BEGB	
O=C1O[C@@H](CCl)CN1c1ccccc1	36467304	KARLWXPEKSFFJC-VIFPVBQESA-N	211.648	2.251	50	40	BEGB	in-vitro
N#CC(C#N)=C1CCCN1C(=O)c1ccccc1	2616993	DUWLNOKNWHZOSU-UHFFFAOYSA-N	237.262	2.224	50	40	BEGB	
O=C(CCl)Nc1nc2c(s1)CCCC2	3881174	YTIVGTKPWXNVDJ-UHFFFAOYSA-N	230.720	2.199	50	40	BEGB	in-vitro
O=C1N[C@H](c2cc(Cl)cc(Cl)c2)C(=O)O1	1772714842	ZSRCUSBTXCYVQQ-SSDOTTSWSA-N	246.049	2.301	50	40	BEGB	
CCCCNC(=O)NNc1ccccc1	1627363	RTFZBFUSRAWOIB-UHFFFAOYSA-N	207.277	2.113	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)OC(C)(C)C)o1	12579358	CUWGIFMVLYDHGF-KPKJPENVSA-N	224.260	2.447	50	40	BEGB	
C[C@@H](NC(=O)CCl)[C@H]1C[C@@H]2CC[C@@H]1C2	100093521	LARFYGYUBWEGFA-ZYUZMQFOSA-N	215.724	2.166	50	40	BEGB	
CC1(C)CC(=O)[C@H]2C(CCCCl)=NN[C@@H]2C1	228921134	VPUALNWVCHDCOC-KOLCDFICSA-N	242.750	2.339	50	40	BEGB	
C[C@H](Cl)C(=O)NCc1ccc(F)cc1	8324080	NIECYTLHZCSRKB-ZETCQYMHSA-N	215.655	2.069	50	40	BEGB	in-vitro
ClCCCc1nc(-c2cccnc2)no1	9458148	IJXBHAVLUOGLIR-UHFFFAOYSA-N	223.663	2.303	50	40	BEGB	
C/C(CCc1ccccc1)=N\NC(=O)CC#N	20248709	KOPWKRCLJXJJOY-RVDMUPIBSA-N	229.283	2.025	50	40	BEGB	
COC(=O)C(C)(C)CCCBr	39381778	OLYOMMYVUVXSJR-UHFFFAOYSA-N	223.110	2.361	50	40	BEGB	
CC1(C)[C@]2(C)CC[C@]1(N)[C@@H]2Br	103708346	BMTYUXQSZCZYBW-VDAHYXPESA-N	218.138	2.287	50	40	BEGB	
COc1ccc(NNC(=O)c2ccccc2)cc1	130317	BNXWLNCRSLYPFG-UHFFFAOYSA-N	242.278	2.452	50	40	BEGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)CCl	1750191	DAFSFIUMRVWVBV-SNAWJCMRSA-N	225.631	2.416	50	40	BEGB	
N#C/C(=N/NC(=O)c1ccccc1)c1ccccc1	5496205	HFVYDMSRNWMFGK-VKAVYKQESA-N	249.273	2.344	50	40	BEGB	
CCOc1ccc(CN(C)C(=O)CCl)cc1	3378464	WENQZSFKNAKBRC-UHFFFAOYSA-N	241.718	2.283	50	40	BEGB	
O=C(Cc1ccccc1)N/N=C1/C[C@@H]2C=CC[C@@H]12	4150396	OXZYKAOFDHUCHH-XKJOCENUSA-N	240.306	2.297	50	40	BEGB	
CC(=O)N/N=C(\C)c1cc2ccccc2o1	7946625	UINLFZIIQNDKAJ-MDWZMJQESA-N	216.240	2.293	50	40	BEGB	
COC(=O)[C@@H](Cl)c1cc(F)ccc1F	50978089	GCDGKSGBGFCCLD-QMMMGPOBSA-N	220.602	2.418	50	40	BEGB	
C=CCOc1ccccc1/C=C(/C#N)C(N)=S	107955936	OQDBVLLUHDOXER-FLIBITNWSA-N	244.319	2.444	50	40	BEGB	
COc1ccc2cc(C(=O)NN(C)C)ccc2c1	12697777	LODRNYRFMYSLKL-UHFFFAOYSA-N	244.294	2.055	50	40	BEGB	
COc1ccccc1CC(=O)CBr	83191895	YPLDSLRPPGOWTG-UHFFFAOYSA-N	243.100	2.202	50	40	BEGB	
CCOC(=O)Cc1ccc(C(=O)CCl)cc1	36108807	CDIIBXLDZABFRK-UHFFFAOYSA-N	240.686	2.214	50	40	BEGB	
CN(C)/C=C(/C#N)C(=O)c1ccccc1Cl	66325998	SOZNEWYNLUEBPT-HJWRWDBZSA-N	234.686	2.492	50	40	BEGB	
CC1(C)C[C@H](CN=C=S)C(C)(C)N1[O]	95911104	MZPCWCPVLFYVIH-MRVPVSSYSA-N	213.326	2.314	50	40	BEGB	
Oc1ccccc1NCCBr	1083811795	PXVPINUMVYTJLF-UHFFFAOYSA-N	216.078	2.199	50	40	BEGB	
O=C(CCc1ccccc1)N/N=C/c1ccco1	253456	HRDYAFWLWNVBSL-RVDMUPIBSA-N	242.278	2.363	50	40	BEGB	biogenic
CSc1ccc(/C=N/C(C#N)=C(\N)C#N)cc1	100004363	XKJSGGYMECUZTM-JCQHQYFWSA-N	242.307	2.045	50	40	BEGB	
CC1(C)CC(=O)[C@@H]2C(CCCCl)=NN[C@@H]2C1	228921155	VPUALNWVCHDCOC-MWLCHTKSSA-N	242.750	2.339	50	40	BEGB	
[C-]#[N+]C1(S(=O)(=O)c2ccc(C)cc2)CC1	60186962	BOMIJCVZAIXUQB-UHFFFAOYSA-N	221.281	2.178	50	40	BEGB	
CC[C@H](C)n1c(CC(C)C)ccc1C(=O)NN	226022977	OKRFLUHWBVAKLM-JTQLQIEISA-N	237.347	2.261	50	40	BEGB	
CN(C)/C=C(\C=O)c1cccc(Cl)c1	29753655	GCPLFRPOVQSMNZ-JXMROGBWSA-N	209.676	2.441	50	40	BEGB	in-vitro
O=C(N/N=C1\CCCSC1)c1ccccc1	4523576	OBDQCGVNXRXXKA-ACCUITESSA-N	234.324	2.299	50	40	BEGB	
OCc1cc(F)ccc1CBr	238721481	MJMYSGGACZLFKB-UHFFFAOYSA-N	219.053	2.213	50	40	BEGB	
C=COC[C@H](Br)C(F)(F)F	1083809780	IKMRTKDVIUIGKR-BYPYZUCNSA-N	219.000	2.472	50	40	BEGB	
O=C1N(CCCl)CCN1c1ccccc1	1697702	CPABMYBYUQIWGP-UHFFFAOYSA-N	224.691	2.167	50	40	BEGB	
COc1ccc(NC(=O)[C@H](C)Cl)cc1OC	8324076	YCZXDCKFGWWNSL-ZETCQYMHSA-N	243.690	2.270	50	40	BEGB	
CCOc1ccc2c(c1)C=C(C#N)CO2	32936488	JPQVESMWNFHWAU-UHFFFAOYSA-N	201.225	2.385	50	40	BEGB	
[C-]#[N+][C@H](C1CC1)S(=O)(=O)c1ccc(C)cc1	101661017	ZRFHBJIXRUHQII-LBPRGKRZSA-N	235.308	2.424	50	40	BEGB	
CCOC(=O)Oc1ccc([N+](=O)[O-])c(C)c1	5592260	LWBVNYGCTPTUSF-UHFFFAOYSA-N	225.200	2.439	50	40	BEGB	
NNC(=O)CC1CCC(Cc2ccccc2)CC1	72233460	PAZCGABVLPKOTF-UHFFFAOYSA-N	246.354	2.416	50	40	BEGB	
O=C(CCl)Nc1cccc(CF)c1	85391548	CZZYQCVHFVWCLR-UHFFFAOYSA-N	201.628	2.333	50	40	BEGB	
O=C(CCl)Nc1cccc(Br)n1	89228937	BGPNDVJFXFEBKG-UHFFFAOYSA-N	249.495	2.021	50	40	BEGB	
O=CC1=C(Cl)N(Cc2ccccc2)C(=O)CC1	257197765	IRIUFRIZTXYNMN-UHFFFAOYSA-N	249.697	2.458	50	40	BEGB	
Cc1nn(-c2ccccc2)c(N)c1SC#N	38674553	LRJWBZOWAHNTSL-UHFFFAOYSA-N	230.296	2.336	50	40	BEGB	in-vitro
C[C@H](CCl)S(=O)(=O)c1ccccc1	96515876	SKRVDZHQZIFTCC-MRVPVSSYSA-N	218.705	2.088	50	40	BEGB	
C[C@@H]1CN(C)[C@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N	239434083	YYWGOFGEYIAJJS-UXOAXIEHSA-N	244.338	2.200	50	40	BEGB	
FC(F)c1ncc(CBr)cn1	618073232	SBZFZMHSSXRPLX-UHFFFAOYSA-N	223.020	2.309	50	40	BEGB	
O=C(CCl)Oc1ccccc1Cl	1586468	JXRKGLWMAJPFNL-UHFFFAOYSA-N	205.040	2.484	50	40	BEGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccccc1O	5945829	SNCZJVGXKKDFKM-ASYFJWBASA-N	242.278	2.074	50	40	BEGB	
N#C/C(=C\Nc1ccccn1)C(=O)c1ccco1	6591153	OQXJVIYHJGTXCN-MDZDMXLPSA-N	239.234	2.377	50	40	BEGB	in-vitro
Cn1cc(C(=O)C(=O)Cl)c2ccccc21	12957990	SLZAXHIJSANSSM-UHFFFAOYSA-N	221.643	2.126	50	40	BEGB	
CCOc1ccc(C2CC(=O)OC(=O)C2)cc1	104585783	ICMWGWJLEWHUCS-UHFFFAOYSA-N	234.251	2.033	50	40	BEGB	
O=C1N[C@@H](c2cccc(Cl)c2Cl)C(=O)O1	1772714981	NBHBOWAOICCNNM-ZETCQYMHSA-N	246.049	2.301	50	40	BEGB	
C[Si](C)(C)OS(=O)(=O)c1ccccc1	195767001	JCUPGHJJFSUZRF-UHFFFAOYSA-N	230.361	2.227	50	40	BEGB	
N#CC(C#N)=C(S)Nc1ccccc1	4235769	QTTCGAZJNMIDNO-UHFFFAOYSA-N	201.254	2.287	50	40	BEGB	biogenic
NNC(=O)c1ccc(-c2ccccc2Cl)o1	4387691	XQMRHWSGTVEDFG-UHFFFAOYSA-N	236.658	2.204	50	40	BEGB	in-vivo
C[C@H](Br)[C@@H](Br)C#N	6030188	TWLGLYVADVLALB-IMJSIDKUSA-N	226.899	2.057	50	40	BEGB	in-vitro
CCCCC(=O)N/N=C\c1ccccc1C(=O)O	8649515	GLSMUMQYSLRUHS-ZROIWOOFSA-N	248.282	2.025	50	40	BEGB	
Cc1ccc(OCC(=O)N=C=S)c(C)c1	70461488	ANPWYHZGOVDZMN-UHFFFAOYSA-N	221.281	2.312	50	40	BEGB	
COc1ccccc1[C@@H](C)NC(=O)CCl	3407825	FULKALPYHHSNAS-MRVPVSSYSA-N	227.691	2.111	50	40	BEGB	in-vitro
CCCCC(=O)N/N=C\c1ccc2c(c1)OCO2	31670240	RRIOSOVEIPTLGO-ZSOIEALJSA-N	248.282	2.056	50	40	BEGB	
CC(C)(C)OC(=O)N1C[C@@H]2C(Cl)[C@H]2C1	953055046	SUIXCOFQJVPFRX-BQBZGAKWSA-N	217.696	2.091	50	40	BEGB	
ClCCOCCOc1ccccc1	1577055	SZAPPHDTDAQSQV-UHFFFAOYSA-N	200.665	2.321	50	40	BEGB	
O=C(N/N=C/c1ccsc1)c1ccco1	2807076	NXYNCQGRWZUSFH-IZZDOVSWSA-N	220.253	2.105	50	40	BEGB	
O=c1[nH]c2ccc(CBr)cc2o1	69803732	FMAGSTUXWUIXPM-UHFFFAOYSA-N	228.045	2.016	50	40	BEGB	
N#CC(C#N)=C(N)Cc1cccc(Cl)c1	91695902	IBFWVMJYDMOILG-UHFFFAOYSA-N	217.659	2.142	50	40	BEGB	
CC(C)(/C=N/NC(=O)C1CC1)c1ccccc1	95460155	QTFWFGPELBZQOX-XNTDXEJSSA-N	230.311	2.476	50	40	BEGB	
Cc1cc(-n2cccc2C(=O)NN)ccc1Cl	223726228	YSHTUPIZGNPMBQ-UHFFFAOYSA-N	249.701	2.043	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccco2)cc1	381261	BGRVSNDRQOMCQJ-NTEUORMPSA-N	228.251	2.352	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	7163989	PZCMXMABQNOUND-XYOKQWHBSA-N	226.279	2.181	50	40	BEGB	
O=C1O[C@@H](CCl)CN1C1CCCCC1	70587791	XVFBNQBKVQUQRI-VIFPVBQESA-N	217.696	2.379	50	40	BEGB	
N#Cc1ccc(CBr)c([N+](=O)[O-])c1	76495281	HWKRYMGLNZFYCG-UHFFFAOYSA-N	241.044	2.361	50	40	BEGB	
CCCCOC(=O)[C@@H](C)Br	2522837	INMAEXGIVZJYIJ-ZCFIWIBFSA-N	209.083	2.113	50	40	BEGB	in-vitro
C=C(CBr)P(=O)(OC)OC	2526839	OSLSRRQGHGGDBA-UHFFFAOYSA-N	229.010	2.381	50	40	BEGB	
O=C(O)[C@@H](Br)CCc1ccccc1	5851679	DJQJKQPODCNTSE-VIFPVBQESA-N	243.100	2.467	50	40	BEGB	in-vitro
Cc1noc(-c2cccc(C(=O)Cl)c2)n1	12370384	OSKVPCDSIORYNO-UHFFFAOYSA-N	222.631	2.424	50	40	BEGB	
O=C(N/N=C\c1ccco1)c1cccs1	13115327	ISTFEGKCGPOOMV-XFFZJAGNSA-N	220.253	2.105	50	40	BEGB	
CCC/C(=N/NC(N)=O)C1=CCCCC1	16953583	NTRGSXHXHYIOPG-RAXLEYEMSA-N	209.293	2.311	50	40	BEGB	
C[C@H]1Cc2cc(C(=O)CCl)ccc2O1	4520190	WORVCWBAQGVIQH-ZETCQYMHSA-N	210.660	2.432	50	40	BEGB	
ClCCOc1ccc(C2OCCO2)cc1	43465045	UWZOSXKGJXGPBP-UHFFFAOYSA-N	228.675	2.350	50	40	BEGB	
CCCCc1ccc(C(=O)NN)n1CC(C)C	226026611	LHGWPLBSJLEZAF-UHFFFAOYSA-N	237.347	2.090	50	40	BEGB	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccccc1	2649896	QSGXOZATHLLEEQ-IUCAKERBSA-N	211.692	2.491	50	40	BEGB	
ClC[C@H]1CO[C@H]([C@@H]2CC=CCC2)O1	4706098	UWVVFCPWRRMIFU-UTLUCORTSA-N	202.681	2.323	50	40	BEGB	
ClCCCc1nc(-c2ccncc2)no1	9953669	HOTOPFAPFWODNY-UHFFFAOYSA-N	223.663	2.303	50	40	BEGB	in-vitro
COC(=O)[C@H](Cl)c1ccc(C#N)cc1	68577275	SCRAESCCIFDCDR-SECBINFHSA-N	209.632	2.011	50	40	BEGB	in-vitro
O=P1(Nc2ccccc2Cl)NCCCN1	104395288	HHAWKEXXGUBEMI-UHFFFAOYSA-N	245.650	2.443	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2)cn1	30802838	ZIDWWZFZQGNJTH-SXGWCWSVSA-N	239.278	2.154	50	40	BEGB	
O=C(CCl)N(Cc1ccco1)C1CC1	32012861	OCYXIJZSQUKLSK-UHFFFAOYSA-N	213.664	2.009	50	40	BEGB	
COC(=O)[C@H](Cl)c1ccc([N+](=O)[O-])cc1	34117370	DCAVZAICHIBXQP-MRVPVSSYSA-N	229.619	2.048	50	40	BEGB	
C/C(C=O)=C\c1cc([N+](=O)[O-])cc(C)c1O	216764062	KZTCESAHGPVULP-XVNBXDOJSA-N	221.212	2.211	50	40	BEGB	
Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2)o1	62329	WKJYBNBNJAVELF-RIYZIHGNSA-N	244.250	2.058	50	40	BEGB	
C/C(=N/NC(=O)c1ccco1)c1ccc(O)cc1	231283	GPCLETNGWXHPMQ-ZROIWOOFSA-N	244.250	2.139	50	40	BEGB	
ClCCn1c[n+](CCCl)c2ccccc21	1562206	IAQCQIMAKLAMTL-UHFFFAOYSA-N	244.145	2.406	50	40	BEGB	
O=C(CCl)Nc1cc(Br)ccn1	98175379	AHLHXBCFWOEXSM-UHFFFAOYSA-N	249.495	2.021	50	40	BEGB	
CC(C)/C=N/NC(=O)c1ccc(N(C)C)cc1	175337	OOSZXDWYSXHKGY-NTEUORMPSA-N	233.315	2.124	50	40	BEGB	
O=C(NN=C1CCCC1)c1cccs1	358120	JLTAQEAKRFAIBM-UHFFFAOYSA-N	208.286	2.408	50	40	BEGB	
O=C(Cl)c1c(Cl)ncnc1Cl	21300634	RXNNHSKCCHGJQM-UHFFFAOYSA-N	211.435	2.162	50	40	BEGB	
O=C(NC1CC1)[C@@H](Cl)c1ccc(F)cc1	50981806	LTFRSAZFUQYBHO-JTQLQIEISA-N	227.666	2.384	50	40	BEGB	in-vitro
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccncc1	102585150	PAOAASVTCLOHOA-UEUZIPNWSA-N	243.310	2.233	50	40	BEGB	
CC(=O)Nc1ccccc1C(=O)CCl	3845025	YFMSVNDUFQTTBG-UHFFFAOYSA-N	211.648	2.067	50	40	BEGB	biogenic
C[C@H](Cl)C(=O)NCC1CCCCC1	11537446	MMDLAOWBVVETGY-QMMMGPOBSA-N	203.713	2.310	50	40	BEGB	in-vitro
N#C/C(=C\c1ccccc1F)C(N)=S	33380199	DHZVWVHMVGKRJC-VMPITWQZSA-N	206.245	2.019	50	40	BEGB	
Fc1ccc2nc(CBr)cn2c1	36243537	SQATYBQLQGDERX-UHFFFAOYSA-N	229.052	2.368	50	40	BEGB	
CN(C)/C=C(/C=O)c1ccnc2ccccc12	46084625	NITALWNPWCWTEW-LUAWRHEFSA-N	226.279	2.336	50	40	BEGB	
O=C1C[C@@H](c2ccc(CCl)cc2)CN1	199776111	DDKZKVBTGCHDLR-SNVBAGLBSA-N	209.676	2.029	50	40	BEGB	
O=C(O)O[C@@H](C(=O)Cl)c1ccccc1	216644310	YASBRFHEBZXBJW-SSDOTTSWSA-N	214.604	2.188	50	40	BEGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CC1	511025	ALVJCNCFRDVREY-NTUHNPAUSA-N	222.675	2.200	50	40	BEGB	
O=C(NCCBr)Nc1ccccc1	1724206	JXTNSWBSWXAYBC-UHFFFAOYSA-N	243.104	2.203	50	40	BEGB	
CCOC(=O)[C@H](Br)CC(F)(F)F	19736838	POVYUFTVLGOXEE-SCSAIBSYSA-N	249.026	2.265	50	40	BEGB	
Nc1nc(C(F)(F)F)ccc1CCl	95761866	BNAKTNUQRJXCSA-UHFFFAOYSA-N	210.586	2.421	50	40	BEGB	
CCCCc1ccc(C(=O)NN)n1[C@@H](C)CC	226026736	XIJXUCPMIJYGHH-JTQLQIEISA-N	237.347	2.405	50	40	BEGB	
CCCCCCNC(=O)[C@H](C)Br	5523970	OCHHGTONRBVHII-QMMMGPOBSA-N	236.153	2.466	50	40	BEGB	
C[C@H](NC(=O)CCl)[C@H]1C[C@H]2CC[C@H]1C2	100769247	LARFYGYUBWEGFA-AATLWQCWSA-N	215.724	2.166	50	40	BEGB	
C[C@@H](Br)C(=O)c1ccc(O)cc1	22016554	QQFSREJMXIMHQJ-ZCFIWIBFSA-N	229.073	2.358	50	40	BEGB	in-vitro
[C-]#[N+]CC(=O)OCc1ccc(OCC)cc1	104899741	UJIHZQPOINYPKO-UHFFFAOYSA-N	219.240	2.048	50	40	BEGB	
COc1ccc(CNCCCl)cc1OC	1621664	GLCGSQYMOXZAGY-UHFFFAOYSA-N	229.707	2.032	50	40	BEGB	
COc1ccccc1NC(=O)[C@H](C)Cl	3372962	PWLPMOQFUUOQQC-ZETCQYMHSA-N	213.664	2.261	50	40	BEGB	
CO/C(N)=C(C#N)/N=C/c1ccccc1Cl	15987488	STRFCMIYBQXTPB-BUVLTHAESA-N	235.674	2.057	50	40	BEGB	
CCCCc1sc(C(=O)NN)cc1Cl	85393287	BMISFOPMQGPQQH-UHFFFAOYSA-N	232.736	2.348	50	40	BEGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)F	95682124	YYXWJNBPHDUWJP-UHFFFAOYSA-N	216.027	2.315	50	40	BEGB	
COc1cc(C(=O)CCCl)ccc1O	1628226	MBIJXZMTJKBEIR-UHFFFAOYSA-N	214.648	2.212	50	40	BEGB	
O=C(NNC1=NCCCCC1)Nc1ccccc1	26442297	ZGVNWWCEDBIAQN-UHFFFAOYSA-N	246.314	2.285	50	40	BEGB	
CCc1ccccc1N/C=C(/C#N)C(N)=S	100159276	UDFBUWIRBOXRBV-NTMALXAHSA-N	231.324	2.354	50	40	BEGB	
COc1cc(SC#N)c([N+](=O)[O-])cc1OC	256051182	IAYBORFBQRMXFI-UHFFFAOYSA-N	240.240	2.185	50	40	BEGB	
CC(C)(C)OOC(=O)c1ccccc1O	1728581	KPRXFVXEXUPDMF-UHFFFAOYSA-N	210.229	2.279	50	40	BEGB	
S=C=NCCc1ccc2c(c1)OCCO2	19840556	WQTAEIAJAJWHCC-UHFFFAOYSA-N	221.281	2.103	50	40	BEGB	in-vitro
BrC[C@@H]1COc2cscc2O1	71186778	KDSOGKRKOMFASM-RXMQYKEDSA-N	235.102	2.283	50	40	BEGB	
CCn1cc(Br)c(CCl)n1	95098447	YFWMLCHDKBJCSK-UHFFFAOYSA-N	223.501	2.404	50	40	BEGB	
CC(C)N(C)NC(=O)Nc1ccccc1	102233463	NAHRDHLNVHRDSR-UHFFFAOYSA-N	207.277	2.063	50	40	BEGB	
Cc1ccc(NC(=O)NC(=O)CCl)c(C)c1	2653961	IQRUGDDTVXVWQY-UHFFFAOYSA-N	240.690	2.190	50	40	BEGB	
C[C@@H]1CCC[C@H](NC(=O)N(CCCl)N=O)C1	4933731	FFCHNDRHTRPWMU-BDAKNGLRSA-N	247.726	2.497	50	40	BEGB	
O=C(Cl)c1cnc(Br)s1	96300073	YLDFVMUDSQPCNK-UHFFFAOYSA-N	226.482	2.285	50	40	BEGB	
COC(=O)N/N=C/c1ccc(C(F)(F)F)cc1	3471115	DVBVJDKBQDOPRA-MKMNVTDBSA-N	246.188	2.395	50	40	BEGB	
CCOC(=O)N/N=C\c1ccc2c(c1)CCC2	35394210	KEXDWMJXGFMCBK-ZROIWOOFSA-N	232.283	2.255	50	40	BEGB	
Fc1ccccc1Cn1cnnc1CCl	96517070	GJONEUPSWSYLQQ-UHFFFAOYSA-N	225.654	2.204	50	40	BEGB	
CN(C)P(=O)(NC1CCCCC1)N(C)C	104817203	DHNIPZBCSNHHTA-UHFFFAOYSA-N	233.296	2.140	50	40	BEGB	
COc1cccc2c1CCN=C2CCl	196844959	BHUQCIWDJYMEBO-UHFFFAOYSA-N	209.676	2.279	50	40	BEGB	
Cc1ccccc1/C=C(/C#N)C(=O)NC(C)C	3616643	GUGAJKDTGRRGFP-JYRVWZFOSA-N	228.295	2.427	50	40	BEGB	
CCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	5686241	GEZUBMDKXSLRTA-XVKPBYJWSA-N	246.314	2.324	50	40	BEGB	
N#Cc1cc(F)ccc1C(=O)CBr	221189994	MZOODILXYVSPKB-UHFFFAOYSA-N	242.047	2.275	50	40	BEGB	
ClCCC[C@H](Cl)CNCCCl	1672794	GKZVKWNPKXQTRR-ZETCQYMHSA-N	218.555	2.441	50	40	BEGB	
Cc1c(NC(=O)[C@H](C)Cl)cccc1[N+](=O)[O-]	20206606	ROIXQTBBMRWRER-ZETCQYMHSA-N	242.662	2.469	50	40	BEGB	in-vitro
COc1ccc([C@@H]2OC[C@H](CCl)O2)cc1	1674904	ZHOGESWPZCQJQH-WDEREUQCSA-N	228.675	2.348	50	40	BEGB	
Cc1c(C(=O)NCCCl)[nH]c2ccccc12	1696601	WICCMEXRFIRHBL-UHFFFAOYSA-N	236.702	2.445	50	40	BEGB	
O=C(NN=C1CCCC1)c1cccc(O)c1	8408522	FBBNPTDKDHUARI-UHFFFAOYSA-N	218.256	2.052	50	40	BEGB	
O=C(NN=C1CCCCCCC1)[C@@H]1CCCO1	43971111	OVQAFSOHKLYVDU-LBPRGKRZSA-N	238.331	2.382	50	40	BEGB	
Cc1csc(C(=O)CBr)n1	95628563	JBEUHCNYTJSVLC-UHFFFAOYSA-N	220.091	2.029	50	40	BEGB	
CCc1cccc2c(/C=N/NC(=O)OC)c[nH]c12	3609374	AKYVYFDUYIZNJH-OVCLIPMQSA-N	245.282	2.420	50	40	BEGB	
O=C(Cl)C1[C@@H]2C[C@H]1[C@H](Cl)[C@@H]2Cl	5410004	XHWJSNKVSWZPAV-RGSKNBDSSA-N	213.491	2.233	50	40	BEGB	
Cc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1	22124433	WHKYYTSNQXDVEQ-VIFPVBQESA-N	237.686	2.113	50	40	BEGB	
N#C/C(=C\c1ccccc1Cl)C(=O)O	22173460	SPTXWNXTYIDOON-VMPITWQZSA-N	207.616	2.332	50	40	BEGB	
Cc1ccccc1[C@H](O)CBr	45817348	HKGSZCJQAJGFDF-SECBINFHSA-N	215.090	2.423	50	40	BEGB	
COc1ccc(Cn2cc(CCl)nn2)cc1	70130430	AUVAJDVVSIOYNY-UHFFFAOYSA-N	237.690	2.074	50	40	BEGB	
C[C@@H](NC(=O)CCl)[C@@H]1C[C@@H]2CC[C@@H]1C2	100093517	LARFYGYUBWEGFA-KYXWUPHJSA-N	215.724	2.166	50	40	BEGB	
NC(=O)N/N=C1/CCCCCCC[C@H]2C[C@@H]12	103734767	JTXTZAHECBFCCD-NCPNGGJUSA-N	223.320	2.391	50	40	BEGB	
CCOC(=O)/C(O)=C(/C#N)c1ccccc1C	104056319	XNSVJBORYUCRDG-VAWYXSNFSA-N	231.251	2.351	50	40	BEGB	
C#CCOCSC(CCl)CCl	3163405	NNHBFBDTEGJTSX-UHFFFAOYSA-N	213.129	2.173	50	40	BEGB	
CC(C)N(Cc1ccccn1)C(=O)CCl	37832504	IEYPXVOLFXIFAL-UHFFFAOYSA-N	226.707	2.057	50	40	BEGB	
CCc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	59334978	MOFOXPUCSQYGBQ-LCYFTJDESA-N	228.295	2.244	50	40	BEGB	
COc1ccc(P(Cl)N(C)C)cc1	100043875	UVGFLVCQQXKDIH-UHFFFAOYSA-N	217.636	2.433	50	40	BEGB	
CC(C)[C@@H]1C(=O)OC(=O)c2ccccc21	103697376	RQPWKYMFHSJUAT-JTQLQIEISA-N	204.225	2.123	50	40	BEGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](/C=N\NC(N)=O)C2	104146007	YLVNMDLQYFEFCH-USWILBOWSA-N	223.320	2.103	50	40	BEGB	
CCc1nc(Cl)cc(C(=O)Cl)n1	85391098	VTRNRTJSZUSBOC-UHFFFAOYSA-N	205.044	2.071	50	40	BEGB	
C[C@@H]1C[C@H]2C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)OC3=O	104097626	JMFUYHHFTOVIJZ-RVBSWOSCSA-N	222.284	2.148	50	40	BEGB	
O[C@H]1CC[C@H]2C[C@H]1[C@H](CBr)C2	169795845	ZGZKEENVMYNWHQ-XGEHTFHBSA-N	219.122	2.178	50	40	BEGB	
O=C(O)Cc1ccc(F)c(CBr)c1	169796669	MELJFVYJCDTAJK-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
CCN1C(C#N)=C(C#N)N=C(C)CC1(C)C	1384398	SOOYMAVLCBLUTN-UHFFFAOYSA-N	216.288	2.210	50	40	BEGB	
N#C/C(=N\NC(=O)c1ccccc1)c1ccccc1	1581903	HFVYDMSRNWMFGK-SAPNQHFASA-N	249.273	2.344	50	40	BEGB	
C[C@H](Cl)C(=O)N1[C@@H](C)CCC[C@H]1C	2643981	GYINOGHSYTZVDH-YIZRAAEISA-N	203.713	2.403	50	40	BEGB	in-vitro
C[C@H](Cl)C(=O)Nc1ccccc1C#N	3887309	MZYSTFJMQJLNJX-ZETCQYMHSA-N	208.648	2.124	50	40	BEGB	in-vitro
CCOC(=O)N/N=C/C=C/c1ccccc1OC	6612784	QHAFBISLHWSWFJ-RCAAVWGTSA-N	248.282	2.440	50	40	BEGB	
CC(=O)N/N=C\c1cccc(Cl)c1Cl	33770264	ZDXCDGJGOBHSIS-XGICHPGQSA-N	231.082	2.463	50	40	BEGB	
CCC1=C(C#N)C(C#N)=C(Cl)N[C@@H]1C	78550106	WPSHGEVCZNWQSC-ZCFIWIBFSA-N	207.664	2.182	50	40	BEGB	
CCOC(=O)NN=Cc1c[nH]c2ccccc12	254634423	VBGDKFQXGPPXFG-UHFFFAOYSA-N	231.255	2.248	50	40	BEGB	
CC(C)=NNC(=O)CSc1ccccc1	408784588	VKVPRFCLDATAKD-UHFFFAOYSA-N	222.313	2.291	50	40	BEGB	
CN(C)C(=O)/C(C#N)=C\c1cccc(Cl)c1	408851935	BVKRNBBAAZUBLL-POHAHGRESA-N	234.686	2.335	50	40	BEGB	
CCOC(=O)[C@@H](Br)C(C)(C)C	2046318	HBNCQAOQAWZUPO-ZCFIWIBFSA-N	223.110	2.359	50	40	BEGB	in-vitro
CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Cl	3411335	QDHSSHZCWDNOQE-SFYZADRCSA-N	229.711	2.420	50	40	BEGB	in-vitro
COc1ccc(OC)c(CSC#N)c1	39937522	OCDNOFXTPAVZIE-UHFFFAOYSA-N	209.270	2.418	50	40	BEGB	
COC(=O)c1ccccc1C[C@H](Cl)C#N	107390	PPAPNIYANHJQHT-VIFPVBQESA-N	223.659	2.147	50	40	BEGB	
COc1cc(OC)c(C(=O)CCl)c(OC)c1	3331299	FGJFFNYREINBNT-UHFFFAOYSA-N	244.674	2.134	50	40	BEGB	
CC(C)c1nnc(NC(=O)[C@@H](C)Cl)s1	4079125	FJQSBRGVBCYWQO-RXMQYKEDSA-N	233.724	2.227	50	40	BEGB	
CC(C)CC(=O)N/N=C1/C[C@H]2C=CC[C@@H]12	5906970	XJUPDZASDXCRDZ-CHWZILMRSA-N	206.289	2.101	50	40	BEGB	
C[C@H](C1CC1)n1nccc1NC=C(C#N)C#N	15241777	LVONOJRIVVVSCI-SECBINFHSA-N	227.271	2.197	50	40	BEGB	
C=CCNC(=O)/C(C#N)=C/c1cccc(F)c1	3262596	FYTQQVIQDGNYNL-YRNVUSSQSA-N	230.242	2.035	50	40	BEGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	6827564	CMCCTEQMESBJDG-XFFZJAGNSA-N	232.258	2.257	50	40	BEGB	
C[C@H](Cl)c1nc(-c2ccncc2)no1	9458139	SGJCXHRERCQSQQ-LURJTMIESA-N	209.636	2.431	50	40	BEGB	in-vitro
C[C@H](Cl)C(=O)c1c[nH]c2ncccc12	20431129	GIIPPRSBUWRMAQ-LURJTMIESA-N	208.648	2.373	50	40	BEGB	in-vitro
O=C(CCl)N(Cc1ccsc1)C1CC1	38342085	ZFFAELAOSIKOLB-UHFFFAOYSA-N	229.732	2.478	50	40	BEGB	in-vitro
CCc1oc(C(=O)OC)cc1CCl	40449069	TVXDLFDXEMTHPZ-UHFFFAOYSA-N	202.637	2.367	50	40	BEGB	in-vitro
COc1cccc(-c2nc(CCl)n[nH]2)c1	85385505	BQBYNBVECNDJII-UHFFFAOYSA-N	223.663	2.219	50	40	BEGB	
CCOCc1cc(Cl)nc(CCl)n1	95094003	NNNYPBNVFZMYJG-UHFFFAOYSA-N	221.087	2.405	50	40	BEGB	
CC(C)(C)NC(=O)C1[C@H]2CC[C@H]1C2Cl	104100493	PHVLWBBKXPJHKA-PZYMCFGQSA-N	215.724	2.165	50	40	BEGB	
CCC1=C(Cl)[C@H](Br)OC1=O	256052960	PJRJJAZRIZBXCK-RXMQYKEDSA-N	225.469	2.167	50	40	BEGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccccn1	5920940	WKKJJAUQODOJPZ-MKNMWBPTSA-N	231.299	2.378	50	40	BEGB	
CC(=O)Oc1ccc(C(=O)[C@@H](C)Cl)cc1	78235248	QVBKKJJQLYELES-SSDOTTSWSA-N	226.659	2.422	50	40	BEGB	
N#CSc1c[nH]c2cc(C(=O)O)ccc12	2541455	RBVSBEAFPBVHLE-UHFFFAOYSA-N	218.237	2.439	50	40	BEGB	
COc1cccc(C(=O)Cl)c1OC	2574140	JQNBCSPQVSUBSR-UHFFFAOYSA-N	200.621	2.083	50	40	BEGB	
CCO[C@H](Br)CBr	5860795	YNQUMIFEHUKSMO-BYPYZUCNSA-N	231.915	2.139	50	40	BEGB	
COc1ccc([C@H](O)CBr)cc1	34265212	JJLBVKRIOOBGPP-SECBINFHSA-N	231.089	2.124	50	40	BEGB	in-vitro
Cc1cc(SC#N)c(C)c(C(=O)O)c1O	57339499	JYELZKIKDHCLBH-UHFFFAOYSA-N	223.253	2.280	50	40	BEGB	
COC(=O)N/N=C/c1cccc(Cl)c1	491881	HBAUFOFVQFSBPC-IZZDOVSWSA-N	212.636	2.030	50	40	BEGB	
CN(C)P(=O)(C(Cl)Cl)N(C)C	3176523	OCSSUISEZSACFU-UHFFFAOYSA-N	219.052	2.064	50	40	BEGB	
O=C(NN=C(CCl)CCl)c1ccccc1	4918832	JSMAGAQYUCCOSL-UHFFFAOYSA-N	245.109	2.250	50	40	BEGB	
N#C/C(=C\c1ccccc1F)c1nnc(N)s1	5344613	CHNGKMYUXAYICJ-VMPITWQZSA-N	246.270	2.324	50	40	BEGB	
C[C@@H](c1ccccn1)N(C(=O)CCl)C1CC1	79421777	ZEYXCGQRNZLBGI-VIFPVBQESA-N	238.718	2.372	50	40	BEGB	
CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	100947727	IHLZMAMVGXEIGC-PREPNJAASA-N	234.295	2.170	50	40	BEGB	
N#CC(C#N)=CNc1ccc2c(c1)OCCCO2	15241770	GSJYOPMROJTGCI-UHFFFAOYSA-N	241.250	2.191	50	40	BEGB	
C[C@@]1(c2ccccc2)CCC/C1=N\NC(N)=O	17161763	YPZADWPHMJUIFG-JMRXEAOASA-N	231.299	2.153	50	40	BEGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccncc1	102254799	PAOAASVTCLOHOA-DEOCKOSDSA-N	243.310	2.233	50	40	BEGB	
CCOC(=O)c1ccsc1NC(=O)CCl	160068	RSUIZUGNNHSTOY-UHFFFAOYSA-N	247.703	2.102	50	40	BEGB	
COCCn1c(C)cc(C=C(C#N)C#N)c1C	4568950	LWQZOTKKPBMEGR-UHFFFAOYSA-N	229.283	2.182	50	40	BEGB	
O=C1c2ccccc2C(=O)[C@H](Cl)[C@H]1Cl	4831564	BWLBTSHIHKJPIQ-HTQZYQBOSA-N	229.062	2.280	50	40	BEGB	
O=C(CCl)NCc1ccc(OC(F)F)cc1	12505001	OZVGVGAYMOBVCO-UHFFFAOYSA-N	249.644	2.143	50	40	BEGB	in-vitro
CCn1ncc2c1CC[C@@H](Br)C2	575423938	HCWRGADIMMBAPN-MRVPVSSYSA-N	229.121	2.155	50	40	BEGB	
CCCC(=O)OCCSCCCl	1665013	RZXKGVGCUVYVSF-UHFFFAOYSA-N	210.726	2.302	50	40	BEGB	
C[C@@H]1CCC[C@@H](NC(=O)N(CCCl)N=O)C1	4933733	FFCHNDRHTRPWMU-RKDXNWHRSA-N	247.726	2.497	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1cccc(C)c1	13139338	BVWIYLDDGGMWEJ-WQLSENKSSA-N	215.252	2.465	50	40	BEGB	
C[C@H](C1CC1)n1nccc1NC(=O)CCl	38341983	AWRATXLUMIOEEM-SSDOTTSWSA-N	227.695	2.031	50	40	BEGB	
ClCc1ccc(CN2CCOCC2)cc1	45205618	SALWNDMWKRWGTJ-UHFFFAOYSA-N	225.719	2.258	50	40	BEGB	
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)N=C=O	4267107	HENGQWOLMJNYCS-LBPRGKRZSA-N	247.294	2.275	50	40	BEGB	
COc1cc2c(cc1C=C(C#N)C#N)O[C@H](C)C2	23100797	XFKBCJBXNORZIR-SECBINFHSA-N	240.262	2.449	50	40	BEGB	
Fc1cccc(-c2nc(CCl)n[nH]2)c1	85385532	XVCVFIGQJUGXFS-UHFFFAOYSA-N	211.627	2.350	50	40	BEGB	
O=C(NN=Cc1ccccc1O)c1ccccc1	252507400	WKIWEDKDZPIULI-UHFFFAOYSA-N	240.262	2.156	50	40	BEGB	
CC(C)(C)OC(=O)N/N=C/c1cccc(O)c1	275314	FEARTZXAGKFFAO-MDWZMJQESA-N	236.271	2.251	50	40	BEGB	
O=C(Nc1ccccc1)C(Cl)Cl	1564818	KJSVAEGLTPBKAA-UHFFFAOYSA-N	204.056	2.429	50	40	BEGB	in-vitro
O=C(Cc1ccccc1)N/N=C1/C[C@@H]2C=CC[C@H]12	4145019	OXZYKAOFDHUCHH-PDOPJTIDSA-N	240.306	2.297	50	40	BEGB	
CCCc1nc(Cl)cc(C(=O)Cl)n1	85391070	KVZUGZOCOHGOHL-UHFFFAOYSA-N	219.071	2.462	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1cccnc1	225697759	VHKDIJVGHHZMCU-IXEHITIDSA-N	241.294	2.009	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1cccc(OC)c1	1625097	LHWAGIDKCSEUAT-YRNVUSSQSA-N	231.251	2.165	50	40	BEGB	
COC(=O)N/N=C1\CCCc2ccccc21	4156009	NHHOYJFBKAANAZ-ACCUITESSA-N	218.256	2.083	50	40	BEGB	
CCN(CCOC)c1cccc(CCl)n1	51042457	GKPOAQSGNWJANI-UHFFFAOYSA-N	228.723	2.293	50	40	BEGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccco1	73520164	PAYAIYFWCJEOHF-HZAKCSEPSA-N	218.256	2.101	50	40	BEGB	
Br[C@H]1CCCO[C@@H]1Br	100076519	MQJVXKXCTDBRER-WHFBIAKZSA-N	243.926	2.281	50	40	BEGB	
Cc1ccc(C2CC(=O)OC(=O)C2)s1	106575575	CCCDORGOMKJQGU-UHFFFAOYSA-N	210.254	2.004	50	40	BEGB	
O=C(O)Cc1cc(F)cc(CBr)c1	115645065	OSZQWDZMXIQKDD-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
C[C@@H](C#N)OC[C@H](Br)C(F)(F)F	1083811086	VDXPHHMHWORQGE-WHFBIAKZSA-N	246.026	2.241	50	40	BEGB	
CC(C)(C)c1cc(CCl)c(C(N)=O)o1	21085387	LLLVFCPCBOXKTG-UHFFFAOYSA-N	215.680	2.415	50	40	BEGB	
Cn1cccc1C(=O)N/N=C/C=C/c1ccco1	63373736	GCIJMTQYBRONON-PMYHNORXSA-N	243.266	2.047	50	40	BEGB	
CCCCOc1ccc(/C=C(/C#N)C(N)=O)cc1	2843410	MYBUXHQIUKKBMD-XFXZXTDPSA-N	244.294	2.258	50	40	BEGB	
C[C@H]1[C@@H](c2ccccc2)N(C)C[C@@H](C)[C@@]1(O)C#N	97949752	YYWGOFGEYIAJJS-DHMWGJHJSA-N	244.338	2.200	50	40	BEGB	
O=S1(=O)C[C@@]23CC=CC[C@]2(CCC3)[C@@H]1Cl	104284117	UOJKVQLSIHFTMP-VWYCJHECSA-N	246.759	2.486	50	40	BEGB	
CCCCCCOc1ccc(C(=O)NN)cc1	1879511	ZKSQOKZGDNEDJQ-UHFFFAOYSA-N	236.315	2.249	50	40	BEGB	
COc1ccc(C(=O)OCCCl)cc1	1584043	SAFHVWHCNOMBFE-UHFFFAOYSA-N	214.648	2.091	50	40	BEGB	
Cc1ccc([N+](=O)[O-])c(NC(=O)CCl)c1C	4200492	IPBTWALANVJTNV-UHFFFAOYSA-N	242.662	2.389	50	40	BEGB	
CC1=C[C@H]2C=C(C=O)C(Cl)=N[C@@H]2C=C1	2585582	ULRUSTJZUWACSI-WCBMZHEXSA-N	207.660	2.264	50	40	BEGB	
N#CC(C#N)=CNc1cc([N+](=O)[O-])ccc1F	10334733	MFQMQWIGNAJSBS-UHFFFAOYSA-N	232.174	2.077	50	40	BEGB	
O=c1oc2ccccc2n1CCCCl	19402530	KRABBWWLDWGYGA-UHFFFAOYSA-N	211.648	2.223	50	40	BEGB	in-vitro
CC(C)NC(=O)/C(C#N)=C\C=C\c1ccco1	4506787	MIIKZDOGADHEMM-NEIWRPEWSA-N	230.267	2.267	50	40	BEGB	
COC(=O)N/N=C/c1ccc2ccccc2c1O	6126138	MZKNORQKLATHJT-RIYZIHGNSA-N	244.250	2.235	50	40	BEGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1OC	14796394	WGZOZPXEJXCWTM-MDZDMXLPSA-N	246.266	2.078	50	40	BEGB	
CCO[C@H](C)C(=O)NNc1cccc(Cl)c1	66484240	NDYFNKZZVIGEOY-MRVPVSSYSA-N	242.706	2.208	50	40	BEGB	
O=C1[C@H](Br)[C@@H]2[C@@H]3C=C[C@H]4[C@H]3C[C@H]2[C@@H]14	261361236	SHVDPBAXIYITKD-IJWZWBJWSA-N	239.112	2.017	50	40	BEGB	
C[n+]1c2n(c3ccccc31)C[C@H](Cl)CS2	4868277	SOGSQIAXSOAXIA-QMMMGPOBSA-N	239.751	2.179	50	40	BEGB	
CC(=O)Oc1ccc(C(=O)[C@H](C)Cl)cc1	78235247	QVBKKJJQLYELES-ZETCQYMHSA-N	226.659	2.422	50	40	BEGB	
COc1ccc(C(=O)N/N=C/C(C)C)cc1	175532	XPPKNVXBPHONEL-MDWZMJQESA-N	220.272	2.067	50	40	BEGB	
CC[C@@H](CCl)OCCOCCCl	5468024	UESZBPIDOQXZMO-QMMMGPOBSA-N	215.120	2.276	50	40	BEGB	
CCCN(C(=O)CCl)c1cccc(O)c1	199755575	PYNAQNZLVRYDOZ-UHFFFAOYSA-N	227.691	2.374	50	40	BEGB	
Br[C@@H]1CCOC2(CCC2)C1	88107928	FTEWGHWHMRMMML-SSDOTTSWSA-N	205.095	2.483	50	40	BEGB	
CCOC(=O)N/N=C/c1cc(Cl)ccc1O	172042	LSWNJACXLUTMOQ-WUXMJOGZSA-N	242.662	2.126	50	40	BEGB	
O=[N+]([O-])c1cccc(OC(=S)Cl)c1	2576025	ZGNFFHOWYYFWMZ-UHFFFAOYSA-N	217.633	2.497	50	40	BEGB	
O=C(CCl)NC(=O)c1cccc2ccccc12	3321793	BGEFVRWYJYENFB-UHFFFAOYSA-N	247.681	2.335	50	40	BEGB	
O=C(O)[C@@H](Br)Cc1ccc(F)cc1	2669167	AVZQUBVTIHNGRC-QMMMGPOBSA-N	247.063	2.216	50	40	BEGB	
NC(=O)N/N=C\C=C\C=C\c1ccc(F)cc1	4898289	FEOPXPWTDPWZRZ-YIQNTIGJSA-N	233.246	2.049	50	40	BEGB	
CCCC/C(C)=N/NC(=O)c1ccncc1	5018556	VBCQYNQITRFOFC-GXDHUFHOSA-N	219.288	2.378	50	40	BEGB	
COc1ccc(O[C@@H](C)C(=O)CCl)cc1	32015658	FOLRSYDXYFJMMQ-QMMMGPOBSA-N	228.675	2.270	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)c2ccncc2)cc1	31723667	IOCMMFJXHNVXLH-YBEGLDIGSA-N	239.278	2.154	50	40	BEGB	
C/C(=N/NC(N)=O)c1ccc(C(C)(C)C)cc1	33666887	PTPYBEDBDLJASY-DHDCSXOGSA-N	233.315	2.376	50	40	BEGB	
Br[C@H]1CCC[C@H](Br)N1	100232831	KUJVSBNVZUZOMF-RFZPGFLSSA-N	242.942	2.202	50	40	BEGB	
CC(=O)c1cc(SC#N)c([N+](=O)[O-])s1	347891	JFVNYEFUPQTVDD-UHFFFAOYSA-N	228.254	2.432	50	40	BEGB	
BrCCCOC[C@@H]1CCCCO1	34959631	XKUMHXBVACTUFZ-VIFPVBQESA-N	237.137	2.357	50	40	BEGB	in-vitro
Cc1cc(C)c(C#N)c(NCCCl)n1	43179048	YZNMYSTVELIKTP-UHFFFAOYSA-N	209.680	2.221	50	40	BEGB	
O=C1OC(=O)c2c([N+](=O)[O-])ccc3cccc1c23	101643362	QLYSDTXUBZEOII-UHFFFAOYSA-N	243.174	2.059	50	40	BEGB	
Cc1cc(C(=O)N/N=C2/CCCC(=O)C2)c(C)o1	102874014	HNRDNQKJDZWDTG-UVTDQMKNSA-N	248.282	2.125	50	40	BEGB	
Clc1ccc(CBr)nn1	72194545	GVXWGEMPRMESSK-UHFFFAOYSA-N	207.458	2.025	50	40	BEGB	
N#CSCC(=O)Nc1cc(F)cc(F)c1	98063970	ABZINDIEGXVPHZ-UHFFFAOYSA-N	228.223	2.118	50	40	BEGB	
Cc1ccccc1OCC(=O)NN=C1CCCC1	584959	LTTYDQWIHIEQAE-UHFFFAOYSA-N	246.310	2.420	50	40	BEGB	
CCOC(=O)C[C@@H](Br)C(F)(F)F	80440476	XFKQPVDTUJALPE-SCSAIBSYSA-N	249.026	2.265	50	40	BEGB	
Cn1ccc(-c2csc(CCl)n2)n1	96528231	NNTGHVNZOOZZJN-UHFFFAOYSA-N	213.693	2.282	50	40	BEGB	
O=C1c2ccccc2C(=O)[C@@H](Cl)[C@@H]1Cl	104250216	BWLBTSHIHKJPIQ-YUMQZZPRSA-N	229.062	2.280	50	40	BEGB	
Cn1nccc1NC(=O)c1cccc(CCl)c1	160080	FGINNLOSASTMRE-UHFFFAOYSA-N	249.701	2.411	50	40	BEGB	
Cc1cc(C)c(O)c(NC(=O)CCl)c1	13608867	ZFRFUCPFOBQGOE-UHFFFAOYSA-N	213.664	2.186	50	40	BEGB	
N#CC1=CN=C2Sc3ccccc3N[C@@H]2C1=N	1505840593	XFDMLQKECFJYTC-LLVKDONJSA-N	240.291	2.412	50	40	BEGB	
CC(C)[C@@H](Br)C(=O)Br	5761302	HFAUMPWMNPYULN-SCSAIBSYSA-N	243.926	2.327	50	40	BEGB	
C[C@H]1N=C2CCCCN2C(=O)[C@H]1CCCl	35856032	AQAXLTAHQHWEIN-BDAKNGLRSA-N	228.723	2.045	50	40	BEGB	
CC1(C)C[C@@H](I)CCO1	44628862	CTPMPYIKWARWDI-LURJTMIESA-N	240.084	2.379	50	40	BEGB	
BrCC1CCC2(CC1)OCCO2	97054316	ILYCFBCRGRUHEX-UHFFFAOYSA-N	235.121	2.315	50	40	BEGB	
CCc1ccc(C2CC(=O)OC(=O)C2)s1	218314514	WHLAAFIKOGJTRM-UHFFFAOYSA-N	224.281	2.258	50	40	BEGB	
CC[C@@H](C)Oc1ccccc1/C=N/NC(C)=O	409013314	UJEAEIFDBGBDGP-GMROUXNLSA-N	234.299	2.334	50	40	BEGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCN(C)C	3166923	FGGBGJRZTSQSBK-UHFFFAOYSA-N	242.326	2.015	50	40	BEGB	
CC(C)(Cl)[C@](O)(C#N)c1ccccc1	100386230	KRFFPUFUNKKAIV-NSHDSACASA-N	209.676	2.415	50	40	BEGB	
O=C(CCl)NCc1nc2ccccc2s1	4200457	FLPBTHUXQBKVFU-UHFFFAOYSA-N	240.715	2.151	50	40	BEGB	
CCOC(=O)/C(C#N)=C/Nc1sccc1C#N	6847840	ZEIOFFHEGOXPCR-VQHVLOKHSA-N	247.279	2.002	50	40	BEGB	
C[C@@H](CCl)N(CCCl)CCCl	1736112	QJGNGERAQLQGSN-ZETCQYMHSA-N	218.555	2.393	50	40	BEGB	
Cc1ccccc1N1C[C@H](C(=O)Cl)CC1=O	22124421	JRUMZHUVWKTLDE-SECBINFHSA-N	237.686	2.113	50	40	BEGB	
CSc1ncc(CBr)cn1	96024924	SOSDEQHBZAMJQC-UHFFFAOYSA-N	219.107	2.093	50	40	BEGB	
O=C1OC(=O)c2ccc3c4c(ccc1c24)CC3	102129797	JDLNUOOGRNIDEQ-UHFFFAOYSA-N	224.215	2.249	50	40	BEGB	
CC[C@@]1(C)C[C@H](C(=O)CCl)CCO1	494606	UISLDXZDDYXBAV-SCZZXKLOSA-N	204.697	2.390	50	40	BEGB	
N#CC(C#N)=Cc1ccc(N2CCCC2)o1	885622	PPQQVTZPYHKCSO-UHFFFAOYSA-N	213.240	2.310	50	40	BEGB	
CCCOc1ccc2c(c1)OCC(C=O)=C2	20284960	BDIAPSQKXAYRQL-UHFFFAOYSA-N	218.252	2.450	50	40	BEGB	in-vitro
CCCc1[nH]nc2c1[C@H](C(C)C)C(C#N)=C(N)O2	32534242	UHAUQFUXQAABEO-SNVBAGLBSA-N	246.314	2.188	50	40	BEGB	
CC(=O)OC(=O)c1cccc(C(F)(F)F)c1	100501727	LJGJBUWTMJUIKI-UHFFFAOYSA-N	232.157	2.409	50	40	BEGB	
Cc1cnc(F)c(CBr)c1	199765833	ATXADZCCHWWCOJ-UHFFFAOYSA-N	204.042	2.424	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(F)c(F)c1	3243898	KJYBYFOXQZWORN-AWNIVKPZSA-N	228.198	2.045	50	40	BEGB	
O=C=N/C=C/NC(=O)Nc1cccc(Cl)c1	1737042	GZEKFBKRQXXTBA-SNAWJCMRSA-N	237.646	2.269	50	40	BEGB	
Nc1ccc(OCCCBr)cc1	40447819	MEJDIEQCJKKKDY-UHFFFAOYSA-N	230.105	2.433	50	40	BEGB	
CC/C(C)=N/NC(=O)c1cccc([N+](=O)[O-])c1	243118	BYSYIIICEIZFGW-XYOKQWHBSA-N	235.243	2.111	50	40	BEGB	
CC(=O)c1cc(C(=O)CCl)cs1	348065	KQZHXEOBGPYBDP-UHFFFAOYSA-N	202.662	2.372	50	40	BEGB	
CCOC(=O)[C@H](Br)C(C)(C)C	1577656	HBNCQAOQAWZUPO-LURJTMIESA-N	223.110	2.359	50	40	BEGB	in-vitro
O=C(Cl)c1ccc2cccc(O)c2n1	39057337	MLUUBRFEMCGPCV-UHFFFAOYSA-N	207.616	2.319	50	40	BEGB	
[C-]#[N+][C@@H](CSCc1ccccc1)C(=O)OC	95698047	KSOJWQDBWLMSJI-NSHDSACASA-N	235.308	2.381	50	40	BEGB	
C[C@@]12CC3CC(CC(=O)NN)(C1)C[C@@](C)(C3)C2	101345797	QSGUTXXGKBGRPA-IFFXXYNGSA-N	236.359	2.363	50	40	BEGB	
N#Cc1ccc2[nH]cc(C(=O)CCl)c2c1	34730819	BLEBTHHPYINQMI-UHFFFAOYSA-N	218.643	2.461	50	40	BEGB	
Cc1cc(-c2onc(C)c2C(=O)Cl)no1	2153303	HDAQKYGQLNYBTQ-UHFFFAOYSA-N	226.619	2.325	50	40	BEGB	in-vitro
COc1cccc(C)c1NC(=O)NCCCl	1623542	PSYZOOOPACOKKZ-UHFFFAOYSA-N	242.706	2.364	50	40	BEGB	
CCCCCCNC(=O)CBr	1706706	AKLXGEYCFUSVDD-UHFFFAOYSA-N	222.126	2.078	50	40	BEGB	
O=C(CCCl)c1ccc2[nH]c(=O)sc2c1	34403815	HIVJPYXURPKYMC-UHFFFAOYSA-N	241.699	2.401	50	40	BEGB	
O=C(N/N=C/c1ccccc1O)C1CCCCC1	70463	NHOZUNVIQLICTA-XNTDXEJSSA-N	246.310	2.423	50	40	BEGB	
O[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br	5049092	CSJYFLLSUHDSCX-LMLFDSFASA-N	239.112	2.396	50	40	BEGB	
FC(F)(F)n1cc(CBr)cn1	606301726	ZHLJCIXUGBJRGN-UHFFFAOYSA-N	228.999	2.254	50	40	BEGB	
CC(C)/C=N/NC(=O)c1ccc(F)cc1	5726873	ZAGYXCPSFDKZSC-NTUHNPAUSA-N	208.236	2.197	50	40	BEGB	
CCOC(=O)COc1ccc(CCl)cc1	6349807	QLVMJKOKSMMYTO-UHFFFAOYSA-N	228.675	2.367	50	40	BEGB	
C[C@H]1C[C@H](C)CN(CCBr)C1	40989925	KGYBIZUXMBIYSP-IUCAKERBSA-N	220.154	2.359	50	40	BEGB	
C[C@@H](Br)C(=O)N1CCCC[C@H]1C	41671919	ODMJVSPHJAURSZ-HTQZYQBOSA-N	234.137	2.171	50	40	BEGB	
COC(=O)C[C@H](Cl)c1ccc([N+](=O)[O-])cc1	1857793520	FTXIHYWXXCEXEJ-VIFPVBQESA-N	243.646	2.438	50	40	BEGB	
COc1cc(C=C(C#N)C#N)ccc1OC(C)=O	143070	CLKJRHLZRWBLSZ-UHFFFAOYSA-N	242.234	2.051	50	40	BEGB	
C[C@@H](Cl)C(=O)N(C)C1(C#N)CCCCC1	4218635	FYJXCYSNCDIYAS-SECBINFHSA-N	228.723	2.299	50	40	BEGB	
COc1ccc2c(c1)nc(NCCCl)n2C	4855362	CBAVKNOONKMZEI-UHFFFAOYSA-N	239.706	2.233	50	40	BEGB	
CC(=O)O[C@@H]1C[C@H]2CC[C@@H]1[C@@H]2Br	4991673	DPSPXRTZVZNQIK-BZNPZCIMSA-N	233.105	2.112	50	40	BEGB	
COc1ccc(C#CCBr)cc1	34521317	LZRMMEKWZYQTDE-UHFFFAOYSA-N	225.085	2.442	50	40	BEGB	in-vitro
O=[N+]([O-])c1cccc(-c2nc(CCl)n[nH]2)c1	85385525	ITDDITVWLIARHI-UHFFFAOYSA-N	238.634	2.119	50	40	BEGB	
[C-]#[N+]C1CCN(C(=O)OC(C)(C)C)CC1	104899854	INGMVBLTZDBRQL-UHFFFAOYSA-N	210.277	2.305	50	40	BEGB	
CCCCOC(=O)OCCBr	1083809825	PSZFASRXTATWFL-UHFFFAOYSA-N	225.082	2.335	50	40	BEGB	
O=C(Cl)c1ccnn1-c1ccccc1	2506149	VQDNPUUJEJRRSV-UHFFFAOYSA-N	206.632	2.251	50	40	BEGB	
C[C@@H]1C[C@@H](C)CN(C(=O)C(Cl)Cl)C1	2801461	DNCDSNLYLJBYCY-RNFRBKRXSA-N	224.131	2.295	50	40	BEGB	
COc1ccccc1[C@@H](C)N(C)C(=O)CCl	37654154	FNPUQTZECOTDQY-SECBINFHSA-N	241.718	2.453	50	40	BEGB	in-vitro
Cc1ccc(N2C=NO[C@H]2CCl)cc1	219036975	FIXGYDDWBQAFFT-JTQLQIEISA-N	210.664	2.340	50	40	BEGB	
ClC[C@@H]1CO[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)O1	230300457	IMAZNHMBJHURDA-FBDQPXRJSA-N	214.692	2.179	50	40	BEGB	
COc1ccc2nc(CCCl)ncc2c1	396139451	IYCGDDMIMUIZCG-UHFFFAOYSA-N	222.675	2.420	50	40	BEGB	
Cc1cc(C)cc(C(=O)NCCCl)c1	1667989	VZCBZSYTOPOTIL-UHFFFAOYSA-N	211.692	2.272	50	40	BEGB	
CCOC(=O)/C(C#N)=C(/C)c1ccco1	13950292	XEYCJSVIQVHIMY-HJWRWDBZSA-N	205.213	2.140	50	40	BEGB	
NC(=O)N/N=C1/CCC[C@@H]2CCCC[C@H]12	17313600	MBXWMIKCSWJUHH-GSHHHWRASA-N	209.293	2.001	50	40	BEGB	
CCCCOC(=O)[C@H](Cl)C(F)(F)F	80440437	WINXGTCJXXTQOD-YFKPBYRVSA-N	218.602	2.499	50	40	BEGB	
CC(C)(C)OC(=O)N1CC(CCl)C1	95933033	RKUWYONVUJJNQU-UHFFFAOYSA-N	205.685	2.092	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccc2c(c1)OCO2	1702883	RRIOSOVEIPTLGO-RIYZIHGNSA-N	248.282	2.056	50	40	BEGB	
ClC[C@H]1CO[C@@H](C(Cl)(Cl)Cl)O1	2037901	DADNQTMXKHQSRJ-IUYQGCFVSA-N	239.913	2.337	50	40	BEGB	
C[C@@H]1Cc2cc(C(=O)CCl)ccc2O1	4520189	WORVCWBAQGVIQH-SSDOTTSWSA-N	210.660	2.432	50	40	BEGB	
CC(=O)N/N=C(\C)c1cc(C)ccc1C	7946335	SADHQMXWKPNADC-JLHYYAGUSA-N	204.273	2.164	50	40	BEGB	
CCN(C(=O)CCl)c1ccc(O)c(C)c1	199758662	NFKAZTKUGLXCSO-UHFFFAOYSA-N	227.691	2.292	50	40	BEGB	
CN(CCC#N)c1ccc(C=C(C#N)C#N)cc1	1735983	RISYOXHUXDEKNI-UHFFFAOYSA-N	236.278	2.467	50	40	BEGB	
Fc1cccc(-n2cc(CCl)nn2)c1	52224970	VLGLRQATCZRWNX-UHFFFAOYSA-N	211.627	2.145	50	40	BEGB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2N=C=S	4782916	BRPOQWPCHGVQFZ-VAOFZXAKSA-N	209.314	2.483	50	40	BEGB	
CCOc1ccc(N/C=C(/C#N)C(=O)OC)cc1	12137786	PWANSYPYAOJWOZ-KTKRTIGZSA-N	246.266	2.078	50	40	BEGB	
C[C@H](Cl)C(=O)NC(=O)Nc1ccccc1F	36904965	XMHPNSLHYGRMOM-LURJTMIESA-N	244.653	2.101	50	40	BEGB	in-vitro
NNC(=O)c1cccc2c(Cl)cccc12	45923295	JGKHXNMJLKJGHV-UHFFFAOYSA-N	220.659	2.097	50	40	BEGB	
CC(C)(C)c1cnc(NC(=O)CCl)o1	72220077	FJGWDZPIVJKUBN-UHFFFAOYSA-N	216.668	2.149	50	40	BEGB	
Cc1nc(C)c(CBr)nc1C	72319786	HOPVUIZLMIEGMJ-UHFFFAOYSA-N	215.094	2.297	50	40	BEGB	in-vitro
N#Cc1cccc(CI)c1	82880398	GZYIKIQRDGHPML-UHFFFAOYSA-N	243.047	2.493	50	40	BEGB	
O=C1C[C@H]2[C@@H]3C[C@H]4[C@H]([C@@H](Br)C[C@H]24)[C@@H]13	104107361	MXVLNNRANFLZHC-ZGIADYLMSA-N	241.128	2.241	50	40	BEGB	
CC(C)/C=C1\CCCC\C1=N\NC(N)=O	4827834	UUYVXLCVOIADCR-KCOVVYJESA-N	209.293	2.167	50	40	BEGB	
Cc1ccc(CN(C(=O)CCl)C2CC2)o1	37654234	ASXJPMQQJAGXOE-UHFFFAOYSA-N	227.691	2.318	50	40	BEGB	in-vitro
[C-]#[N+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC	95698038	XIXDXCNDQCGKDG-JTQLQIEISA-N	223.659	2.343	50	40	BEGB	
COC(=O)/C(C#N)=C/c1cn(C)c2ccccc12	568035	HVYNOSYPLHDOTQ-JXMROGBWSA-N	240.262	2.258	50	40	BEGB	
CC(C)CCCCNC(=O)CBr	72221194	RCLGNWJDSOOMBK-UHFFFAOYSA-N	236.153	2.324	50	40	BEGB	
CC1CC(CI)C1	96528652	HYGFOIKKEICTPQ-UHFFFAOYSA-N	210.058	2.468	50	40	BEGB	
C[C@H]1C[C@H]2C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)OC3=O	104097629	JMFUYHHFTOVIJZ-QRIDJOKKSA-N	222.284	2.148	50	40	BEGB	
O=C(CCl)N(CC1CC1)c1cccc(O)c1	199758048	KXRZLUKONYRDIL-UHFFFAOYSA-N	239.702	2.374	50	40	BEGB	
CC(C)(C)c1ccc([C@@H]2NC(=O)OC2=O)cc1	1772715007	PFQQZIOVCOKIAR-JTQLQIEISA-N	233.267	2.292	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)Cc2cccs2)o1	12462490	DSZPJKJPJDTSLT-JYRVWZFOSA-N	248.307	2.342	50	40	BEGB	
O=[N+]([O-])c1cccc(-c2nc(CCl)no2)c1	20284371	VMJJEWAFFGUEMU-UHFFFAOYSA-N	239.618	2.384	50	40	BEGB	
Nc1ccc(C(=O)N/N=C/c2cccs2)cc1	138642	DMZMLAORDFHVHZ-RIYZIHGNSA-N	245.307	2.094	50	40	BEGB	
NNC(=O)c1cc2cc3ccccc3nc2s1	1399182	WWOQTQNCCIMQOW-UHFFFAOYSA-N	243.291	2.053	50	40	BEGB	
O=C(CCl)c1ccc(N2CCOCC2)s1	16430776	YHRGJMVSWBRJTK-UHFFFAOYSA-N	245.731	2.006	50	40	BEGB	
Cc1c(CC(=O)Cl)cccc1[N+](=O)[O-]	22005562	FVQQYMRUAPIGSR-UHFFFAOYSA-N	213.620	2.211	50	40	BEGB	
Nc1cccc(C(=O)N/N=C/c2cccs2)c1	45795	MERHHUVEUITEEI-RIYZIHGNSA-N	245.307	2.094	50	40	BEGB	
Cc1ccc(CN(C)C(=O)CCl)cc1	3334000	JRGVHXBRCSLGFA-UHFFFAOYSA-N	211.692	2.192	50	40	BEGB	
C[C@@H](Cl)C(=O)NCCc1cccs1	4206390	LQONMZBNDVUHIC-SSDOTTSWSA-N	217.721	2.034	50	40	BEGB	in-vitro
COC(=O)N/N=C/C(C)=C/c1ccccc1	5380794	YJZXIQDKPHJIMG-IAQVKYGWSA-N	218.256	2.432	50	40	BEGB	
CC(C)COc1ccccc1/C=C(\C#N)C(N)=O	6827311	AIYWJBKNKKBELQ-KPKJPENVSA-N	244.294	2.114	50	40	BEGB	
Nc1nc2ccc(C(=O)Cl)cc2s1	39057460	OUFHCLJAQQOHIJ-UHFFFAOYSA-N	212.661	2.258	50	40	BEGB	in-vitro
C[C@H](c1ccccn1)N(C(=O)CCl)C1CC1	79421781	ZEYXCGQRNZLBGI-SECBINFHSA-N	238.718	2.372	50	40	BEGB	
CCCCOCCI	82880376	QHVKNGCASMQYGJ-UHFFFAOYSA-N	228.073	2.238	50	40	BEGB	
ClCc1cncn1Cc1cccnc1	85216236	SZOYXNRVMHXEES-UHFFFAOYSA-N	207.664	2.065	50	40	BEGB	
CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2C(C)C	194735	COAFQVIOHRERLC-JTQLQIEISA-N	246.314	2.037	50	40	BEGB	
CCOC(=O)N/N=C/c1cccc(C)c1	3574939	HOYWMSMEQQDLIG-XYOKQWHBSA-N	206.245	2.075	50	40	BEGB	
CC1(C)C2=CCC[C@@H]2CC/C1=N/NC(N)=O	4973168	FEQDXVPSJQJFAJ-PQKXBCETSA-N	221.304	2.167	50	40	BEGB	
O[C@H]1CC[C@@H]2C[C@H]1[C@H](CBr)C2	33414706	ZGZKEENVMYNWHQ-JBDRJPRFSA-N	219.122	2.178	50	40	BEGB	
BrCCc1ccc2c(c1)OCO2	38888033	CCARPEUWUWIJPX-UHFFFAOYSA-N	229.073	2.353	50	40	BEGB	in-vitro
C=C(C)C(=O)OCCC[Si](C)(C)OC	195766185	JBDMKOVTOUIKFI-UHFFFAOYSA-N	216.353	2.347	50	40	BEGB	
O=C(Cl)[C@@H]1CCc2cc(F)ccc2O1	34547815	ZLMSEDWVBPGXTM-VIFPVBQESA-N	214.623	2.285	50	40	BEGB	
Cc1ccc2c(c1)Nc1ccccc1[P@]2(=O)O	1642171	IUROKZNOFFMIBO-UHFFFAOYSA-N	245.218	2.273	50	40	BEGB	
CCOC(=O)[C@@H](Br)c1ccccn1	12958773	JNOYCFAVJXWZTO-QMMMGPOBSA-N	244.088	2.081	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1ccc(F)c(F)c1	57645411	DLTJIBLUUMKTIU-UITAMQMPSA-N	237.205	2.435	50	40	BEGB	
COC(=O)[C@]12CC[C@@H](C[C@@H]1Br)C2	103708737	QFRHEQUPAQAIAD-ZKWXMUAHSA-N	233.105	2.113	50	40	BEGB	
O=[PH]1c2ccccc2Nc2ccccc21	195356590	HCQDTEHRBHKYRY-UHFFFAOYSA-N	215.192	2.254	50	40	BEGB	
Cc1cc(Cl)ccc1-n1cccc1C(=O)NN	223725555	PSXZQWQWPNIDHB-UHFFFAOYSA-N	249.701	2.043	50	40	BEGB	
COc1ccccc1[C@H]1OC[C@@H](CCl)O1	1677480	FGZZEMGDNLVORZ-KCJUWKMLSA-N	228.675	2.348	50	40	BEGB	
N#C/C(=C\c1ccco1)C(=O)NCc1ccco1	2745139	QKYFQSIHBRLLFU-JXMROGBWSA-N	242.234	2.096	50	40	BEGB	
C=CC/N=C(\S)N(CCCl)CCCl	5426470	YZYWYMYWDKBNLX-UHFFFAOYSA-N	241.187	2.238	50	40	BEGB	
COc1nn(-c2ccccc2)cc1/C=C/C=O	68603517	OJUAVLWCKJGZTN-AATRIKPKSA-N	228.251	2.093	50	40	BEGB	
O=C(CCl)c1ccc(N2CCOC2=O)cc1	71372307	RIQYCDDPSBRTLO-UHFFFAOYSA-N	239.658	2.065	50	40	BEGB	in-vitro
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccco1	73520162	PAYAIYFWCJEOHF-YIXGCBLDSA-N	218.256	2.101	50	40	BEGB	
CCOC(=O)[C@@H](Br)[Si](C)(C)C	169806468	VJHUIXYRWUFRAL-LURJTMIESA-N	239.185	2.190	50	40	BEGB	
[C-]#[N+]CCC[Si](OCC)(OCC)OCC	195873144	CKIXFRABPZURLY-UHFFFAOYSA-N	231.368	2.344	50	40	BEGB	
COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	252486973	QFRHEQUPAQAIAD-LKEWCRSYSA-N	233.105	2.113	50	40	BEGB	
COc1ccc2nsnc2c1CCl	4834050	OUPKYKSSPSNBBJ-UHFFFAOYSA-N	214.677	2.439	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	5559277	VCLITOWHEDGLKU-DHZHZOJOSA-N	230.267	2.117	50	40	BEGB	
COc1ccc(O[C@H](C)C(=O)CCl)cc1	32015659	FOLRSYDXYFJMMQ-MRVPVSSYSA-N	228.675	2.270	50	40	BEGB	
Cc1ccccc1-n1nncc1CCl	72187163	OEYOWSHYSZKDBK-UHFFFAOYSA-N	207.664	2.315	50	40	BEGB	
O=C(CCl)N[C@H]1CCCC[C@H]1C(F)(F)F	35222755	MEQLVTAEPYDRPK-RQJHMYQMSA-N	243.656	2.463	50	40	BEGB	in-vitro
C/C(CCc1ccc(O)cc1)=N\NC(=O)C1CC1	44393945	GLCXTEJLQWJKTL-XNTDXEJSSA-N	246.310	2.227	50	40	BEGB	
CN(N)CCCO[Si](C)(C)C(C)(C)C	219505441	SIHICNBDAFVRLI-UHFFFAOYSA-N	218.417	2.204	50	40	BEGB	
N#CC1(C#N)C(C#N)(C#N)C12CCCC[C@@H]2Cl	1638533	FLUXTSSDUKPIGD-VIFPVBQESA-N	244.685	2.235	50	40	BEGB	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)O	3267955	MQYLJWZYVASSER-VMPITWQZSA-N	239.177	2.280	50	40	BEGB	
CN1Cc2cc(C(=O)CCl)ccc2NC1=O	34227150	ZFCMNIXLVHVXKC-UHFFFAOYSA-N	238.674	2.085	50	40	BEGB	in-vitro
C/C(=N/NC(N)=O)C1=C[C@]2(C)CC[C@@H]1C2(C)C	100363180	MUWXGLGFBULXSQ-MMLOXZFYSA-N	235.331	2.413	50	40	BEGB	
CC(=O)N/N=C1/C[C@@H]2CC[C@]1(C)C2(C)C	101461172	FFTKQXMPLXIUPM-BZZGQJMKSA-N	208.305	2.325	50	40	BEGB	
O=C(CCl)Oc1cccc2cccnc12	1595608	NUCFGSRTIHFHHP-UHFFFAOYSA-N	221.643	2.379	50	40	BEGB	
Cc1ccc(/C=N\NC(=O)c2ccccn2)cc1	32704167	KAMFUVKDSMJFBF-YBEGLDIGSA-N	239.278	2.154	50	40	BEGB	
CC(C)(C)OC(=O)N1CC[C@H](Cl)C1	72194518	BFJADPWUALFXHF-ZETCQYMHSA-N	205.685	2.235	50	40	BEGB	
CC(C)(Cl)[C@@](O)(C#N)c1ccccc1	100386236	KRFFPUFUNKKAIV-LLVKDONJSA-N	209.676	2.415	50	40	BEGB	
O=C1c2ccccc2C(=O)[C@@H](Cl)[C@H]1Cl	104250214	BWLBTSHIHKJPIQ-OCAPTIKFSA-N	229.062	2.280	50	40	BEGB	
CCCCC(=O)NN(C)c1ccccc1	6309735	HWSATRXCZIHXMV-UHFFFAOYSA-N	206.289	2.344	50	40	BEGB	
CC[C@@H](Br)C(=O)Nc1cc(C)on1	7988997	XJVMTBXUJAQJKS-ZCFIWIBFSA-N	247.092	2.095	50	40	BEGB	
CNC(=O)/C(C#N)=C\c1c(F)cccc1Cl	27521407	KQBGZQDQJMSBCE-ALCCZGGFSA-N	238.649	2.132	50	40	BEGB	
Nc1ccc(/C=C\C2(CCl)OCCO2)cc1	31670112	JNIBNNJWQQUVFI-WAYWQWQTSA-N	239.702	2.264	50	40	BEGB	
C/C(=N/NC(N)=O)c1ccc(C(C)C)cc1	38205351	JZGAQFMHEUVFLO-ZROIWOOFSA-N	219.288	2.202	50	40	BEGB	
O=C(Cl)[C@H]1CCCC[C@@H]1C(=O)Cl	100338550	YKZFIPRBWVEQBE-WDSKDSINSA-N	209.072	2.324	50	40	BEGB	
CC[C@@H](C)NC(=O)[C@H](Br)C(C)C	19429600	FOIQOQJYXJRHIR-HTQZYQBOSA-N	236.153	2.321	50	40	BEGB	
C#CCn1c(C)cc(C(=O)CCl)c1C	36333674	POJRSOIYKAEHSX-UHFFFAOYSA-N	209.676	2.160	50	40	BEGB	
CCO[C@H](C)OC(C)(C)/C(=C/C#N)n1ccnc1	5399102	LKOOGEIUIMYVAF-RMCZBGCRSA-N	249.314	2.425	50	40	BEGB	
CC1=C/C(=N\NC(=O)c2ccc(N)cc2)CC1	6368269	XTPZWEAAQZHSFG-QINSGFPZSA-N	229.283	2.095	50	40	BEGB	
CC(C)Oc1cccc(CNC(=O)CCl)c1	62146652	GHQHKONULBLEDJ-UHFFFAOYSA-N	241.718	2.329	50	40	BEGB	in-vitro
Cc1ccccc1/C=C(\C#N)C(N)=S	1945332	NHRUJGXZXTVUNX-UXBLZVDNSA-N	202.282	2.188	50	40	BEGB	
CC/C(=N\NC(N)=O)c1ccc(Cl)cc1	5004421	YZQKXWGXLPLUIL-UKTHLTGXSA-N	225.679	2.122	50	40	BEGB	
COC(=O)[C@H](Br)Cc1ccccc1	20272470	OUCLVXLFVUBZAV-SECBINFHSA-N	243.100	2.166	50	40	BEGB	
COc1cccc2c1C(Cl)=C(C=O)C2	1857793540	ITYMOEYSEUQKNR-UHFFFAOYSA-N	208.644	2.400	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(N)=S)s1	43779	KLYBECOZYYCTCC-QPJJXVBHSA-N	208.311	2.250	50	40	BEGB	
O=C(N/N=C/c1ccccc1)c1ccco1	554740	MXRGCOYEBPKDII-UKTHLTGXSA-N	214.224	2.044	50	40	BEGB	
CN(C(=O)CCBr)c1ccccc1	41688355	NUCBHVZZAYLCPE-UHFFFAOYSA-N	242.116	2.434	50	40	BEGB	
O=c1cc(CCl)c2cc3c(cc2o1)OCO3	489190	FJKWIQFDJAQEBK-UHFFFAOYSA-N	238.626	2.261	50	40	BEGB	biogenic
CCOC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-]	4539212	CZPQZBRWWGSHSL-YFHOEESVSA-N	246.222	2.065	50	40	BEGB	
CC(/C=C\c1ccc(C)cc1)=N/NC(N)=O	17140394	WSUKPCLIPVWORY-BKBRFSGCSA-N	217.272	2.052	50	40	BEGB	
CCO[C@@H]1[C@H](Cl)C(O)=NC(=O)N1CC(C)C	36618860	YYBTYPXOVTXJHL-VXNVDRBHSA-N	248.710	2.005	50	40	BEGB	
O=NN(CCCl)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2	100060222	VGFFLHYAQABHTR-HLTSFMKQSA-N	245.710	2.107	50	40	BEGB	
CC(C)(C)[Si](C)(C)OCC[C@H]1O[C@@H]1CO	196111804	RJUGJIONSZNVRL-NXEZZACHSA-N	232.396	2.158	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)c1cccnc1	225697810	VHKDIJVGHHZMCU-ZCKLPDCYSA-N	241.294	2.009	50	40	BEGB	
O=C1N[C@H](c2cc(Cl)ccc2Cl)C(=O)O1	1772714857	AGCCGYPQBIHRBE-SSDOTTSWSA-N	246.049	2.301	50	40	BEGB	
O=[N+]([O-])c1ccc([C@@H]2OC[C@H](CCl)O2)cc1	549139	KTCHZUQSHQYOGX-VHSXEESVSA-N	243.646	2.248	50	40	BEGB	
N#CC(C#N)=C1CC[C@@H]2C(=C(C#N)C#N)CC[C@H]12	1618108	ABHNJQPWUGYABV-ZIAGYGMSSA-N	234.262	2.494	50	40	BEGB	
COCCN(C(=O)CCl)c1ccc(C)cc1	2274400	VMLONLNABUMKDH-UHFFFAOYSA-N	241.718	2.213	50	40	BEGB	
C/C(=N\NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C	4701449	VFLILMXHJULMAP-PZSIGMLBSA-N	237.347	2.493	50	40	BEGB	
C[C@H]1C[C@@H]1c1ccc(CNC=C(C#N)C#N)o1	77568600	QQZJERQAWKVIDC-CABZTGNLSA-N	227.267	2.424	50	40	BEGB	
O=C(O)Cc1ccc(CBr)cc1F	169796666	TUDDOIZDPQJDSE-UHFFFAOYSA-N	247.063	2.348	50	40	BEGB	
CC(C)(C)OC(=O)N/N=C/c1ccco1	179741	WNMDEIMNCXIHJG-YRNVUSSQSA-N	210.233	2.138	50	40	BEGB	in-vitro
CCCCC(=O)N/N=C/c1ccc(C(=O)O)cc1	1704779	BXMVKPYERCXUFT-NTEUORMPSA-N	248.282	2.025	50	40	BEGB	
CC1(C)C[C@H](I)CCO1	44628858	CTPMPYIKWARWDI-ZCFIWIBFSA-N	240.084	2.379	50	40	BEGB	
COC/C(Br)=C/SC#N	1611198	ITIXERDQCSBMKB-HYXAFXHYSA-N	208.080	2.083	50	40	BEGB	
O=C(CCNCCCl)c1ccccc1	2451950	GMBXOJUWHYFZQF-UHFFFAOYSA-N	211.692	2.088	50	40	BEGB	
O=C/C(Cl)=C\Nc1ccc(C(=O)O)cc1	4367115	AGFUQBOGCOWSKN-VMPITWQZSA-N	225.631	2.076	50	40	BEGB	
CSc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	59333809	FZLXKQVTOSMMNA-FLIBITNWSA-N	246.335	2.404	50	40	BEGB	
O=C(Cl)c1ccc(Br)nc1	66327912	HCSKIFVMDNEHCD-UHFFFAOYSA-N	220.453	2.223	50	40	BEGB	
CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]1[C@@H]2Br	100227227	DPSPXRTZVZNQIK-RBXMUDONSA-N	233.105	2.112	50	40	BEGB	
Cc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	103700558	OUULQITUQQNXSI-WUXMJOGZSA-N	234.262	2.162	50	40	BEGB	
CCc1ccc(/C(C)=N/NC(C)=O)s1	4156261	WTYSQYFQXUELJG-YRNVUSSQSA-N	210.302	2.171	50	40	BEGB	
CN(C)NC(=O)c1ccc(C(C)(C)C)cc1	8032812	IOFIPYBBWBJZHS-UHFFFAOYSA-N	220.316	2.191	50	40	BEGB	
CN(C)c1ccc(C(C#N)=C(C#N)C#N)cc1	365229	KPVQHJLNKIZNIH-UHFFFAOYSA-N	222.251	2.077	50	40	BEGB	
O=[N+]([O-])c1ccccc1OC(=S)Cl	2576024	YAHJUSXRFBAZJR-UHFFFAOYSA-N	217.633	2.497	50	40	BEGB	
O=C(CCl)N1N=CC[C@@H]1c1ccccc1	541481	AOGBFUDVQOXSNE-SNVBAGLBSA-N	222.675	2.185	50	40	BEGB	
N#CC1(C#N)C(C#N)(C#N)C12CCCC[C@H]2Cl	4974542	FLUXTSSDUKPIGD-SECBINFHSA-N	244.685	2.235	50	40	BEGB	
CC(C)CN(C)c1cc(N=C=O)ccn1	536951195	QXIHLAVZVLPRQI-UHFFFAOYSA-N	205.261	2.141	50	40	BEGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CC1	4109714	GEMJDMGKXKBYPQ-NTUHNPAUSA-N	222.675	2.200	50	40	BEGB	
COCCN(C(=O)CCl)c1cccc(C)c1	4770239	VDCLXWBVAQEOTH-UHFFFAOYSA-N	241.718	2.213	50	40	BEGB	
CN(C)C[C@@H]1CCCC[C@@H](Br)C1=O	5119324	DJSDSZLTDWYGFJ-DTWKUNHWSA-N	248.164	2.071	50	40	BEGB	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)NC1CC1	7750580	UFVVKSCGYGFHCP-WEVVVXLNSA-N	248.232	2.150	50	40	BEGB	
O=C(O)[C@H](Br)C1CCCCC1	1724676	HQZXUBBDWRDPCS-SSDOTTSWSA-N	221.094	2.415	50	40	BEGB	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)N=C=O	2524714	HENGQWOLMJNYCS-GFCCVEGCSA-N	247.294	2.275	50	40	BEGB	
NC(=O)N/N=C1\CCC[C@@H]1CCc1ccccc1	17286421	FEASVXWIIBWGQL-SIOXIVGBSA-N	245.326	2.444	50	40	BEGB	
O=C(Cl)c1cc([N+](=O)[O-])cnc1Cl	38997613	SGCLUZVJDJBDPU-UHFFFAOYSA-N	220.999	2.022	50	40	BEGB	
O=C(CCl)NCc1c(F)cccc1Cl	2577677	CHAVLBPWJKMNSC-UHFFFAOYSA-N	236.073	2.334	50	40	BEGB	
Cc1occc1C(=O)NN=C1CCCC1	4118748	CHKUMYLHIJBRAM-UHFFFAOYSA-N	206.245	2.248	50	40	BEGB	
C#CCOc1ccc(C=C(C#N)C#N)cc1OC	5743975	RVYMPANCFMAIJD-UHFFFAOYSA-N	238.246	2.138	50	40	BEGB	
Cc1nn(-c2ccccc2)nc1CCl	1584766	WVOPQDMPUYOHPJ-UHFFFAOYSA-N	207.664	2.315	50	40	BEGB	
O=C(Cl)[C@](F)(Br)C(F)(F)F	4329267	LYEISECDEKRQHL-UWTATZPHSA-N	243.381	2.375	50	40	BEGB	biogenic,in-vitro
CCC/C=N/NC(=O)c1cccc(F)c1	5917936	AWOLLYSEGOWICP-NTUHNPAUSA-N	208.236	2.341	50	40	BEGB	
CCCCOC(=O)[C@@H](Cl)C(F)(F)F	80440445	WINXGTCJXXTQOD-RXMQYKEDSA-N	218.602	2.499	50	40	BEGB	
COC(=O)[C@@]12CC[C@H](C[C@@H]1Br)C2	103708731	QFRHEQUPAQAIAD-BKPPORCPSA-N	233.105	2.113	50	40	BEGB	
ClC[C@@H]1CO[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)O1	230300450	IMAZNHMBJHURDA-DAWVFNFOSA-N	214.692	2.179	50	40	BEGB	
CCCCC(=O)N/N=C/c1ccc(N(C)C)cc1	1702887	ZOELUTMCMXUPDM-RVDMUPIBSA-N	247.342	2.393	50	40	BEGB	
C[C@H](Cl)C(=O)N1[C@@H](C)CCC[C@@H]1C	12504683	GYINOGHSYTZVDH-CIUDSAMLSA-N	203.713	2.403	50	40	BEGB	in-vitro
COc1cccc2cc(C(=O)Cl)c(=O)oc12	34936117	HEMOMFUKHGXJMF-UHFFFAOYSA-N	238.626	2.181	50	40	BEGB	
O=C(CCCl)Nc1cc([N+](=O)[O-])ccc1F	5568316	RFQMTRNWIAOWIU-UHFFFAOYSA-N	246.625	2.301	50	40	BEGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C[C@H]3c3ccccc3)[C@@H]12	100149448	QVZKCYULUXLGPJ-KSSYENDESA-N	242.274	2.126	50	40	BEGB	
CC(=O)OC[C@H](Br)CC(F)(F)F	201989142	ALZXYDTVGRZURG-RXMQYKEDSA-N	249.026	2.265	50	40	BEGB	
COc1ccc(OC)c(C#CCCl)c1	37470738	QCKGIUHAVQTRTL-UHFFFAOYSA-N	210.660	2.294	50	40	BEGB	
CCCC(=O)OC(=O)C(F)(F)C(F)(F)F	100503287	FNIMAVPOMHMZDY-UHFFFAOYSA-N	234.120	2.054	50	40	BEGB	
O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1ccc(O)cc1	102403442	GTOJNROBWPRSFC-JGGAYSDPSA-N	244.294	2.298	50	40	BEGB	
N#CC(NC(=O)C(Cl)Cl)=C(Cl)Cl	3124276	GRAVWIPLRJUIDG-UHFFFAOYSA-N	247.896	2.077	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1cc(F)cc(F)c1	12395135	SICPPWAROVOJSN-YCRREMRBSA-N	237.205	2.435	50	40	BEGB	
CCc1cccc2c(/C=C(/C#N)C(N)=O)c[nH]c12	33474655	NKGLLMGLZFBXTJ-POHAHGRESA-N	239.278	2.123	50	40	BEGB	
N#C[C@@H](O)c1ccc(OC(F)(F)F)cc1	59261659	BCBYIIYTRJSDAW-MRVPVSSYSA-N	217.146	2.142	50	40	BEGB	
CCc1ccc(/C=C(\C#N)C(=O)OC)s1	42539	PGTPSRVBVSSTSV-SOFGYWHQSA-N	221.281	2.390	50	40	BEGB	
Cc1ccc(C(=O)N/N=C\c2ccc(C)o2)cn1	4724754	KLCRYGLHOJKVEU-NVNXTCNLSA-N	243.266	2.055	50	40	BEGB	
N#CSC[C@@H]1COc2ccccc2O1	5940989	NIUTUCCPFPTZNP-QMMMGPOBSA-N	207.254	2.041	50	40	BEGB	
O[C@H](CCCl)c1c[nH]c2ncccc12	96510706	UTDAPYHUDHZERM-SECBINFHSA-N	210.664	2.225	50	40	BEGB	
O=C(Cl)c1cc(N2CCCCC2)ccn1	98213499	WQDZKGNCILYVDN-UHFFFAOYSA-N	224.691	2.451	50	40	BEGB	
N#CS[C@@H](C#N)[C@H](C#N)c1ccccc1	11690620	FFDGJFFHPKCGCN-MNOVXSKESA-N	213.265	2.400	50	40	BEGB	
O=C1C[C@H](Cl)C(=O)N1c1ccc(Cl)cc1	16776725	ZSCVNWGUPQHEMB-QMMMGPOBSA-N	244.077	2.211	50	40	BEGB	
Cc1cccc(C[C@H](Br)C(=O)O)c1	17380455	CVHXNIZMJVFQGZ-VIFPVBQESA-N	243.100	2.386	50	40	BEGB	
O=C(Cl)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Cl	100350667	MNCRMCGXPHYWEZ-ZTYPAOSTSA-N	221.083	2.180	50	40	BEGB	
CCc1ccc(NC(=O)/C(C#N)=C/N(C)C)cc1	1889035038	JCSNCXWNVBHJOA-ZRDIBKRKSA-N	243.310	2.157	50	40	BEGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)CCl	1561623	PRXQMYGDDZPSBF-ZZXKWVIFSA-N	225.631	2.416	50	40	BEGB	
CCOC(=O)N/N=C/c1ccc(SC)cc1	3471408	WISLDHDYDXHWKI-XYOKQWHBSA-N	238.312	2.489	50	40	BEGB	
CC[C@H]1CCC/C1=N\NC(=O)c1ccncc1	4567423	WCYNLLWXUZZSAJ-PTFXAJSMSA-N	231.299	2.378	50	40	BEGB	
C[C@H](Cl)C(=O)Nc1cccnc1Cl	8728662	ZYCGMXXQYXAUJE-YFKPBYRVSA-N	219.071	2.301	50	40	BEGB	in-vitro
COc1ccc2nccc(C(=O)CCl)c2n1	72233422	QHFINLLVQGKTQW-UHFFFAOYSA-N	236.658	2.060	50	40	BEGB	
O=S1(=O)CC[C@@H](c2ccc(CCl)cc2)C1	256046270	DWRXPXASMQIRMK-LLVKDONJSA-N	244.743	2.328	50	40	BEGB	
CCOC(=O)/C(C#N)=C(\C)c1ccco1	567984	XEYCJSVIQVHIMY-CMDGGOBGSA-N	205.213	2.140	50	40	BEGB	
N#CSCCC(=O)Nc1ccccc1	1580509	NYAPBFLWKOEEGJ-UHFFFAOYSA-N	206.270	2.229	50	40	BEGB	
CCOP(=O)(CCCl)OCC	1723481	GMDLEOVIACJWTD-UHFFFAOYSA-N	200.602	2.491	50	40	BEGB	in-vitro
O=Cc1ccc(CCBr)cc1	36138812	WJEZEUJKYFXNKJ-UHFFFAOYSA-N	213.074	2.437	50	40	BEGB	
COC(=O)c1ccc([C@H](Cl)C#N)cc1	96509882	UCFMUFYUGHRECA-SECBINFHSA-N	209.632	2.277	50	40	BEGB	
ON=C(CBr)c1ccc(F)cc1	256081102	UGORWQMWPIUIGG-UHFFFAOYSA-N	232.052	2.399	50	40	BEGB	
O=C(CCl)[C@@H](Cl)C(=O)Nc1ccccc1	100118411	JASVZHHUORWQKB-SECBINFHSA-N	246.093	2.040	50	40	BEGB	
CN(C)/C=C(\C=O)c1ccc(Cl)cc1	100256331	WYRALGSIFBXIIV-JXMROGBWSA-N	209.676	2.441	50	40	BEGB	in-vitro
COc1ccc2c(c1CCl)C(=O)OC2	1570479	MZLRTNWMSFNZEU-UHFFFAOYSA-N	212.632	2.104	50	40	BEGB	
COC(=O)N/N=C/c1ccc(C(C)C)cc1	3239041	FCXISFVKRZXOOJ-MDWZMJQESA-N	220.272	2.500	50	40	BEGB	
CCCCc1nnc(NC(=O)CCl)s1	3886253	SEJIXCOQUMLMFB-UHFFFAOYSA-N	233.724	2.058	50	40	BEGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cccs1	4646951	IBUZHAWKTWSTTF-GSHHHWRASA-N	232.308	2.430	50	40	BEGB	
C[C@@H]1C[C@@H]2O[C@]2(C)C[C@@H]1[C@H]1OC[C@@H](CCl)O1	254611158	RWLBJPNYLMZBCM-HRRXFJGFSA-N	246.734	2.170	50	40	BEGB	
Cn1cccc1/C=N\NC(=O)Nc1ccccc1	33985601	JVEMRXYMHBTPLT-UVTDQMKNSA-N	242.282	2.181	50	40	BEGB	
CCC/C=N/NC(=O)Cc1ccccc1	4675176	CYIXWPLNHWGQLL-UKTHLTGXSA-N	204.273	2.131	50	40	BEGB	
C[C@@H]1CCC[C@@H](NC(=O)CCl)[C@@H]1C	5676897	SJQAZCTZMYEFHA-IWSPIJDZSA-N	203.713	2.166	50	40	BEGB	in-vitro
CCCC[C@H]1CCC/C(=N/NC(N)=O)C1	5699820	RHUAYXYWSQMVHS-FWSONLODSA-N	211.309	2.391	50	40	BEGB	
C[C@H]1C[C@@H](C)CN(CCBr)C1	40989922	KGYBIZUXMBIYSP-DTORHVGOSA-N	220.154	2.359	50	40	BEGB	
COc1cccc(CC(=O)CBr)c1	44564136	QYCJGDBVWSEHGX-UHFFFAOYSA-N	243.100	2.202	50	40	BEGB	
CC[C@H](C)Oc1ccccc1/C=N/NC(C)=O	409013316	UJEAEIFDBGBDGP-RSYJBZMQSA-N	234.299	2.334	50	40	BEGB	
NNC(=O)Cc1cccc2ccc(Cl)cc12	1748415	ZNEGZYSCKGSOHI-UHFFFAOYSA-N	234.686	2.026	50	40	BEGB	
CC(C)N(Cc1cccnc1)C(=O)CCl	37833662	GROOMFHGNUWYNY-UHFFFAOYSA-N	226.707	2.057	50	40	BEGB	
N#C/C=C(\N)c1cccc(Br)c1	39240267	PLRACCZSIHMADD-WTKPLQERSA-N	223.073	2.272	50	40	BEGB	
CC(C)(C)[Si](C)(C)OC1CC(N)C1	196642775	NXXTYZALYDDFCV-UHFFFAOYSA-N	201.386	2.498	50	40	BEGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1Cl	100824833	LXOAGOWBVUSDAQ-VIFPVBQESA-N	208.648	2.017	50	40	BEGB	
CC(=O)Nc1ccc(C(=O)Cl)cc1F	199783877	DWIRWHMIEZHGSK-UHFFFAOYSA-N	215.611	2.163	50	40	BEGB	
COc1ccc(C(=O)Cl)c(OC)c1OC	2574141	GAZNVVBKELWTBC-UHFFFAOYSA-N	230.647	2.091	50	40	BEGB	
O=C(Cl)[C@H]1CCCN1Cc1ccccc1	83295891	ZDTDYTRIYBAWEZ-LLVKDONJSA-N	223.703	2.416	50	40	BEGB	
NCc1ccc(CBr)c(F)c1	199523348	DVUIHWOZNKMYKA-UHFFFAOYSA-N	218.069	2.179	50	40	BEGB	
O=[N+]([O-])c1ccc(CCl)cc1[N+](=O)[O-]	95836486	VQQWPESNVPHXEM-UHFFFAOYSA-N	216.580	2.242	50	40	BEGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@@H]12)c1cccc(O)c1	8408613	QVYCFPYBEOXJCY-MKDQNAHJSA-N	242.278	2.074	50	40	BEGB	
O=C(Nc1ccc2c(c1)OCO2)OCCCl	12375167	NJMXEHXUNPUAJJ-UHFFFAOYSA-N	243.646	2.203	50	40	BEGB	
COc1ccc(/C=C/C(=O)Cl)c(OC)c1	33433766	LJAQKDOWIRQJAF-GQCTYLIASA-N	226.659	2.482	50	40	BEGB	
Nc1ccccc1C(=O)NNc1ccccc1	37637196	UJZGZKOKUAKGEQ-UHFFFAOYSA-N	227.267	2.026	50	40	BEGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1cccnc1	5676445	VHKDIJVGHHZMCU-ISVUSNJMSA-N	241.294	2.009	50	40	BEGB	
O=C(CCl)N1CCC[C@@H]2CCCC[C@H]21	7978614	RDTNIAJMHHVOCO-VHSXEESVSA-N	215.724	2.406	50	40	BEGB	in-vitro
O=C1O[C@H](Br)c2c(F)cccc21	169797473	NETWOGJYVJDVLP-ZETCQYMHSA-N	231.020	2.390	50	40	BEGB	
C[Si](C)(C)O[Si](C)(C)CCCN	196772445	QWFSPEQGWSIPLB-UHFFFAOYSA-N	205.450	2.392	50	40	BEGB	
CCOC(=O)/C(C#N)=C/c1ccc[nH]c1=S	239562639	IBZVSPQSODMIIL-UHFFFAOYSA-N	234.280	2.214	50	40	BEGB	
O=C(O)[C@H](CBr)c1ccccc1	2046364	REKPUONWQOZKPH-MRVPVSSYSA-N	229.073	2.250	50	40	BEGB	
Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1C1CC1	3394029	MTDDKQZLYRCIHS-IZZDOVSWSA-N	230.267	2.431	50	40	BEGB	in-vitro
CCOC(=O)N/N=C\c1ccc(C)s1	5198848	FUCRDCMKCXDOSX-POHAHGRESA-N	212.274	2.137	50	40	BEGB	
Cc1cnc(CCl)c(C)c1[N+](=O)[O-]	34408638	TZDCRETVAXMALU-UHFFFAOYSA-N	200.625	2.345	50	40	BEGB	
CCOC(=O)/C(C#N)=C(\O)c1ccccc1	100541735	GHLQWWRVTBXSRX-KHPPLWFESA-N	217.224	2.042	50	40	BEGB	
CSS(=O)(=O)c1cccc2cccnc12	497655	NOPRXUBTQBLVCQ-UHFFFAOYSA-N	239.321	2.287	50	40	BEGB	
Cc1ccc(N(N=O)C(=O)CCl)cc1	4975079	HXDFLFLPPQRSPH-UHFFFAOYSA-N	212.636	2.248	50	40	BEGB	
Cc1ccc(N/C=C(/C#N)C(N)=S)cc1	102782600	QHCOCEDNLWJZAW-CLFYSBASSA-N	217.297	2.101	50	40	BEGB	
COc1cc2cnc(CCl)nc2cc1OC	396137066	BGMOOJPGCDMPED-UHFFFAOYSA-N	238.674	2.386	50	40	BEGB	
CC(C)(C)OC(=O)NN=C(CCl)CCl	4503241	VHZKPRSXJHKLJD-UHFFFAOYSA-N	241.118	2.345	50	40	BEGB	
N#C/C(=C\C=C\c1ccccc1)C(=O)NC1CC1	7163922	BQOMGPOCYALQEE-ZAUJTXRMSA-N	238.290	2.428	50	40	BEGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CC#N)cc1	20243950	RXWYBTYTAQWERV-MHWRWJLKSA-N	243.310	2.348	50	40	BEGB	
C/C(=N/NC(=O)c1ccc(N)cc1)C(C)(C)C	46163	COFPORSWFRVSRO-DHDCSXOGSA-N	233.315	2.421	50	40	BEGB	
COc1cc2c(c(OC)c1OC)C=C(C=O)CC2	39238078	QIYQBIDDDTWDQA-UHFFFAOYSA-N	248.278	2.241	50	40	BEGB	
C[C@@H](C1CC1)N(C(=O)CCl)C1CC1	68583565	QFAFXMQORPJBHS-ZETCQYMHSA-N	201.697	2.015	50	40	BEGB	in-vitro
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1	102584323	OECOHRVWINQQES-VJGSYMBGSA-N	232.283	2.431	50	40	BEGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](/C=N/NC(N)=O)C2	104146011	YLVNMDLQYFEFCH-WRXSIDQWSA-N	223.320	2.103	50	40	BEGB	
COc1ccc(-c2nnc(CCl)n2C)cc1	104766337	CWPMUOMNKNRARM-UHFFFAOYSA-N	237.690	2.230	50	40	BEGB	
NC(=O)N[C@H](c1ccccc1)C(Cl)Cl	3138935	JNPOYQJGDIAMQR-SSDOTTSWSA-N	233.098	2.200	50	40	BEGB	
CO/N=C/C(C#N)=C\c1ccc(OC)cc1	32911439	RMMMTHRTXMHGCI-LMELLFTPSA-N	216.240	2.234	50	40	BEGB	
CC(C)(C)OC(=O)n1cnc(CCl)c1	35994060	WEVUSNXEJVVWOD-UHFFFAOYSA-N	216.668	2.405	50	40	BEGB	
CCCN(C(=O)CCl)c1ccc(O)cc1	199756420	YNVJMSYBXJSFQW-UHFFFAOYSA-N	227.691	2.374	50	40	BEGB	
CCOC(=O)/C(F)=C(/C)CBr	208214429	UUAYNIXVPGGZAG-AATRIKPKSA-N	225.057	2.188	50	40	BEGB	
CCC(=O)Nc1ccc(C=C(C#N)C#N)cc1	500604	ZPBRQLXIOVYDOM-UHFFFAOYSA-N	225.251	2.466	50	40	BEGB	
CN(C(=O)C(Cl)Cl)c1ccccc1	1684088	XHVCFGZWBIJJDZ-UHFFFAOYSA-N	218.083	2.453	50	40	BEGB	
CCc1ccc(/C=C(/C#N)C(N)=S)cc1	4070477	SGVLLSTVURBKHH-XFFZJAGNSA-N	216.309	2.442	50	40	BEGB	
NC(=O)N/N=C/c1ccc([C@@H]2C=CCC2)s1	5517434	GLXQVVVNMIQRSK-OREIZAMCSA-N	235.312	2.184	50	40	BEGB	
O[C@@]1(CCl)CSC(c2ccccc2)=N1	163386	WYXKFWSZVUVTBE-JTQLQIEISA-N	227.716	2.107	50	40	BEGB	
COC(=O)/C(C#N)=C1\CCc2ccccc21	1624730	ODQZYGFFVQHIMJ-VAWYXSNFSA-N	213.236	2.083	50	40	BEGB	
N#C/C(=C\c1cccc(Cl)c1)C(=O)O	7155432	ZJPFPCNAMVQPCL-XBXARRHUSA-N	207.616	2.332	50	40	BEGB	
CCCCC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	5004157	GCFFFLGSOPNFCH-LCYFTJDESA-N	249.270	2.235	50	40	BEGB	
CCOCc1ccc(CNC(=O)CCl)cc1	62146613	BOYDSFIYQPGAAJ-UHFFFAOYSA-N	241.718	2.078	50	40	BEGB	in-vitro
CN1/C(=C(/C#N)C(N)=S)Sc2ccccc21	101373151	QZIJVOGVXSAWAL-YRNVUSSQSA-N	247.348	2.250	50	40	BEGB	
CC(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl	1542984484	OUNRWZGVHWYYDQ-UHFFFAOYSA-N	229.619	2.482	50	40	BEGB	
CCOC(=O)CCCC[C@H](O)CCCl	2039987	YSFJHUHDLIFMPB-VIFPVBQESA-N	222.712	2.100	50	40	BEGB	
CC(=O)N[C@H]1C[C@H](c2ccccc2)C=C(C#N)O1	4267431	PMIHZUUKQWXHFO-TZMCWYRMSA-N	242.278	2.060	50	40	BEGB	biogenic
O=C1C[C@@H](C/C=C\c2ccccc2)C(=O)O1	104250963	PMGSFRAJPLOXHM-MEQVVJDKSA-N	216.236	2.180	50	40	BEGB	
CCCn1c(CCC(C)C)ccc1C(=O)NN	226024694	CIRZEYLPCBJGCZ-UHFFFAOYSA-N	237.347	2.090	50	40	BEGB	
O=C(Cl)CN1CCCc2ccccc21	2525380	LZWCIGDIMRLAOW-UHFFFAOYSA-N	209.676	2.205	50	40	BEGB	
CCN(CC)CCC(=O)OCCCCCl	5453001	HEFRXZAKQKLUFX-UHFFFAOYSA-N	235.755	2.281	50	40	BEGB	
C=CCCC/C=C\C[C@@H]1CC(=O)OC1=O	100009084	XPIQJMUYUKAKNX-JYESYGNLSA-N	208.257	2.379	50	40	BEGB	
O=NN(CCCl)C(=O)Oc1ccccc1	4536304	UKYAPGRNQNGWQK-UHFFFAOYSA-N	228.635	2.408	50	40	BEGB	
C/C(=N\NC(=O)c1ccc(N)cc1)C(C)(C)C	13371104	COFPORSWFRVSRO-OQLLNIDSSA-N	233.315	2.421	50	40	BEGB	
Cc1nc2scc(C)n2c(=O)c1CCCl	34068140	MGWXSWNURQSQHA-UHFFFAOYSA-N	242.731	2.154	50	40	BEGB	
C[C@@H]1N=C2CCCCN2C(=O)[C@@H]1CCCl	35856037	AQAXLTAHQHWEIN-DTWKUNHWSA-N	228.723	2.045	50	40	BEGB	
O=C1[C@@H](Br)CCN1C1CCCCC1	82606494	RIWNJINXGLRLDD-VIFPVBQESA-N	246.148	2.315	50	40	BEGB	
N#CCCN(C(=O)CCl)c1ccc(F)cc1	3278002	YZRHAVQVPGIMQG-UHFFFAOYSA-N	240.665	2.311	50	40	BEGB	
CCOC(=O)/C(C#N)=C\c1ccccc1OC	5195128	LXZSBCQFZFCBFP-FLIBITNWSA-N	231.251	2.165	50	40	BEGB	
O=C(O)c1ccc(CBr)c(F)c1	34475717	FRWSNDGNNMQGNU-UHFFFAOYSA-N	233.036	2.419	50	40	BEGB	
CCn1nc(C)c(C(=O)Cl)c1Cl	575410910	QZTSSYDHECVKMM-UHFFFAOYSA-N	207.060	2.244	50	40	BEGB	
Cc1ccccc1C(=O)N/N=C/c1ccncc1	482857	BRDBULMHZZUPMJ-MHWRWJLKSA-N	239.278	2.154	50	40	BEGB	
C[C@@H]1CC[C@@H]2CCCC[C@@H]2/C1=N/NC(N)=O	17159352	WWVLXISZVLCBQT-QSNMUBSMSA-N	223.320	2.247	50	40	BEGB	
CC/C(=N\NC(N)=O)c1ccc2c(c1)CCCC2	5482092	DXFNMTZZUPQIIU-DTQAZKPQSA-N	245.326	2.348	50	40	BEGB	
Cc1ccsc1/C=C(\C#N)C(=O)NC1CC1	16439066	PWMIJSDRSQKEPK-RMKNXTFCSA-N	232.308	2.242	50	40	BEGB	
N#Cc1cccc(NC(=O)CCCl)c1	19441676	AEXRBJKYOXJJEK-UHFFFAOYSA-N	208.648	2.126	50	40	BEGB	in-vitro
C[Si](C)(C)C#CC(=O)O[Si](C)(C)C	170154861	JFBRBBCYDVYGKP-UHFFFAOYSA-N	214.413	2.245	50	40	BEGB	
Cc1ccc(-c2ccc(/C=N/NC(N)=O)o2)cc1	7966340	MEUHETRDTZLXJW-OVCLIPMQSA-N	243.266	2.257	50	40	BEGB	
COc1ccc(NC(=O)[C@@H](C)Cl)cc1OC	8324078	YCZXDCKFGWWNSL-SSDOTTSWSA-N	243.690	2.270	50	40	BEGB	
O=N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br	104100236	MUSDPFOIXVESSK-YTLHQDLWSA-N	204.067	2.315	50	40	BEGB	
O=C(Cl)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Cl	149745643	MNCRMCGXPHYWEZ-AXMZGBSTSA-N	221.083	2.180	50	40	BEGB	
CC(C)(C)c1ccc(C[C@H]2NC(=O)OC2=O)cc1	1772714985	NLCLZUMYZOZCAB-LLVKDONJSA-N	247.294	2.162	50	40	BEGB