smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1ON=C(CCl)/C1=C\c1cccnc1	34926725	YGVVFSILAGGCJJ-XBXARRHUSA-N	222.631	1.617	50	40	BDGB	
C#C[C@@](C)(CC)OC[C@H](CCl)OC[C@@H]1CO1	4860501	JIESFYGQVNFHGZ-TUAOUCFPSA-N	246.734	1.828	50	40	BDGB	
Cc1cccc(/C=C(/C#N)C(=O)NC(N)=O)c1	222258136	KHDUWQUNJWMJFP-POHAHGRESA-N	229.239	1.097	50	40	BDGB	
CC(C)(C)OC(=O)NNC(=O)C(F)(F)F	37593782	JAMGLKGCPSLRNJ-UHFFFAOYSA-N	228.170	1.105	50	40	BDGB	in-vitro
COC(=O)[C@@H]1C[C@H]2C[C@H]1C(=O)[C@H]2Br	242718351	XKWLNOVDLCIPOC-GBNDHIKLSA-N	247.088	1.148	50	40	BDGB	
CCCC(O)(CCC)/C(C)=N/NC(N)=O	5493356	KLQLQHBEXABVAU-XYOKQWHBSA-N	215.297	1.362	50	40	BDGB	
CC(C)Oc1cccc(/C=C(\C#N)C(N)=O)c1	2751380	IQQYREKKKGCVSN-IZZDOVSWSA-N	230.267	1.866	50	40	BDGB	
COc1ccc([C@H]2NC(=O)OC2=O)cc1	238383215	SPBXQRHYPGDBRM-MRVPVSSYSA-N	207.185	1.003	50	40	BDGB	
CC/C(C)=N/NC(=O)[C@H]1COc2ccccc2O1	6684317	QXSHDEPHOASYEE-ZMTLZGASSA-N	248.282	1.729	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Br)cc1	3469236	HSXITYGMCRTGJH-VZUCSPMQSA-N	242.076	1.451	50	40	BDGB	
CC(C)NNC(=O)c1cc2ccccc2[nH]1	4550685	DYIDZUGJSRLXBQ-UHFFFAOYSA-N	217.272	1.811	50	40	BDGB	
N#CCC[C@@H]1CCCC/C1=N\NC(=O)CC#N	408719261	AWMWYKULULWSMF-MKNMWBPTSA-N	232.287	1.866	50	40	BDGB	
Cc1cccc(-n2cc(C(=O)CCl)nn2)c1	74942285	SYBUINUERLBAPT-UHFFFAOYSA-N	235.674	1.997	50	40	BDGB	in-vitro
CC[C@H]1S[C@@H](C)C/C(=N\NC(N)=O)[C@H]1C	33939080	CXEKRAUJXURPPU-QDGNQJGSSA-N	229.349	1.951	50	40	BDGB	
C[C@]12OO[C@](C)(c3ccccc31)[C@H]1O[C@H]12	222070392	CUTPXGIPWKCNTF-IWDIQUIJSA-N	204.225	1.860	50	40	BDGB	
C#C[C@H](O)CCCCCBr	95725624	XWAIAHGGCLXSQW-QMMMGPOBSA-N	205.095	1.936	50	40	BDGB	
N#CC1=C(N)CN(c2ccc(F)cc2)C1	96526612	RCAVOUQOAYRTGB-UHFFFAOYSA-N	203.220	1.382	50	40	BDGB	
CN/C(=N\C(=O)NC(C)(C)C)C(Cl)Cl	97965039	NMXKQIWXXJPBES-UHFFFAOYSA-N	240.134	1.916	50	40	BDGB	
CC1=C(C#N)C(=O)O[C@@]1(C)[C@H]1CCCC(=O)C1	1609373	DLLWHTLDYNASMT-TVQRCGJNSA-N	233.267	1.901	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)C(C)C)cc1	11638418	CEUFXQTVDJGOJM-UHFFFAOYSA-N	220.272	1.412	50	40	BDGB	
CNC(=O)c1cccc(NC(=O)[C@@H](C)Cl)c1	37389547	CAVHJFJDIDFZJH-SSDOTTSWSA-N	240.690	1.612	50	40	BDGB	in-vitro
CC(C)NC(=O)CC(=O)N/N=C/c1ccccc1	59515299	PQYXEMLKCHLBGB-NTEUORMPSA-N	247.298	1.051	50	40	BDGB	
CC[C@H](C)C(=O)NNc1nc(C)cc(C)n1	13005003	JURFJUNLGQEQHH-ZETCQYMHSA-N	222.292	1.583	50	40	BDGB	
O=C(CCl)N1CCO[C@H](c2ccccc2)C1	37832765	OGVOXTIUNFDZKC-NSHDSACASA-N	239.702	1.825	50	40	BDGB	
CC(C)C(=O)NNC(=O)OC(C)(C)C	66778058	KOGKSDLPRCIHAK-UHFFFAOYSA-N	202.254	1.198	50	40	BDGB	
CC(C)=C1C(=O)OC(=O)/C1=C\c1ccn(C)c1	100745605	RYALWPJTGDTKIK-POHAHGRESA-N	231.251	1.828	50	40	BDGB	
CCOC(=O)C[C@]1(C)OC[C@@H](CCl)O1	1676990	TUMTUTINUPUPTC-VXNVDRBHSA-N	222.668	1.310	50	40	BDGB	
NC(=O)N/N=C1/CCCC[C@@H]1c1ccccn1	100913458	BHSRKLPMJGOGMM-BJPKCCCNSA-N	232.287	1.764	50	40	BDGB	
CCCn1nnnc1NC(=O)CCCCl	6462547	YYQHPTKMZZWLKX-UHFFFAOYSA-N	231.687	1.041	50	40	BDGB	
O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCl	26956976	IYYFXHLVDINJAI-YUMQZZPRSA-N	248.109	1.743	50	40	BDGB	
C[C@@H](NC(=O)CCl)c1ccc2c(c1)OCO2	3887989	FWWRYKFYHFHDRT-SSDOTTSWSA-N	241.674	1.831	50	40	BDGB	
O=C(c1cnccn1)N1CCC[C@@H](CCl)C1	44029829	VKMFFENXBVUSMC-VIFPVBQESA-N	239.706	1.568	50	40	BDGB	
O=C(N/N=C/c1ccccc1F)c1ccccn1	381427	AVWRATFNUHOWSG-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
COC(=O)/C(C#N)=C/C=C/C=C/N(C)C	55107303	OADMVFFDJJGEDF-JNKFYZEOSA-N	206.245	1.241	50	40	BDGB	
O=C(CCl)NC(=O)NCCC1=CCCCC1	3888139	CEIBOXUPJVMSMW-UHFFFAOYSA-N	244.722	1.942	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1	4524317	APDBRVMOZRCWIF-YRNVUSSQSA-N	245.234	1.855	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)Nc1ccccc1	9791136	RJRZEHLMIFTDDK-SSDOTTSWSA-N	226.663	1.962	50	40	BDGB	in-vitro
CCc1cccc2c(OCC(=O)NN)ccnc12	64874822	SDCTZFJEQXCCNI-UHFFFAOYSA-N	245.282	1.166	50	40	BDGB	
O=C1N=CN=C(C(F)(F)F)[C@H]1Br	85346313	TUVJHEPXDUPRRY-UWTATZPHSA-N	242.982	1.322	50	40	BDGB	
CCC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl	1689455	WBBGWGCORSOFGS-INEUFUBQSA-N	248.537	1.632	50	40	BDGB	
CC/C=C(C)/C=N/NC(=O)c1ccc[n+](C)c1	1759172	UKMVWVNGSBIBDX-WHCRQAQESA-O	232.307	1.583	50	40	BDGB	
CC1=C(C#N)O[C@@H](N2CCCC2=O)C[C@H]1C	4267420	KPYAHKORMFXMTB-PRHODGIISA-N	220.272	1.789	50	40	BDGB	biogenic
CC1(C)[C@H]2CC[C@@]1(C)C(=N/NC(N)=O)/C2=C\O	100367175	KPCMUWYRHDIGLH-GYHXDUGUSA-N	237.303	1.909	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\C=C\c1ccco1	59333816	KGILLEBPAVNUBX-OGXKQMSSSA-N	216.240	1.831	50	40	BDGB	
O=C(CCl)Nc1cc(F)ccc1C(=O)O	12504936	XLCRJMSTSSQFAU-UHFFFAOYSA-N	231.610	1.701	50	40	BDGB	in-vitro
BrC[C@@H]1CC(c2cccnc2)=NO1	217840892	JHRODSIZZSVHEG-QMMMGPOBSA-N	241.088	1.970	50	40	BDGB	
CCC(O)(CC)C(=O)NNc1ccccc1C	51198	HDLUSZXJYBIFPI-UHFFFAOYSA-N	236.315	1.989	50	40	BDGB	
CCOC(=O)Oc1ccc([N+](=O)[O-])c(C=O)c1	1585699	XDSNNVUKVKTMCB-UHFFFAOYSA-N	239.183	1.943	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(O)cc1	104159526	NZVWFMVXQQJWEX-XFFZJAGNSA-N	208.217	1.472	50	40	BDGB	
CCn1ccc(NC(=O)CBr)n1	96524107	XUCOFXJKNFMBKR-UHFFFAOYSA-N	232.081	1.236	50	40	BDGB	
NS(=O)(=O)c1cc(Cl)cc(CCl)c1	216637285	YRKXZVFOQWWYLJ-UHFFFAOYSA-N	240.111	1.726	50	40	BDGB	in-vitro
CN(CCCl)c1ccc(C(=O)O)c(O)c1	1692163	JPDIPCQPGJGSAN-UHFFFAOYSA-N	229.663	1.765	50	40	BDGB	
N#C/C(=C/c1ccco1)C(=O)N1CCOCC1	2802004	PPDLMLFWVDJUTQ-NTMALXAHSA-N	232.239	1.045	50	40	BDGB	
O=C(NNc1ncc(Cl)cn1)c1ccccc1	72427707	IITIANWZBYYAGY-UHFFFAOYSA-N	248.673	1.887	50	40	BDGB	
COC(=O)/C(C#N)=C\c1cc(C(=O)OC)c(C)o1	95946595	WPQKRLSHTDYSKB-YWEYNIOJSA-N	249.222	1.455	50	40	BDGB	
NNC(=O)Nc1ccc(Cl)cc1Cl	36948035	UQRODDZHYZHAKL-UHFFFAOYSA-N	220.059	1.989	50	40	BDGB	in-vitro
CCOC(=O)C(C#N)=C(OCC)OCC	72206812	DKWQKYQTKOCJIK-UHFFFAOYSA-N	213.233	1.358	50	40	BDGB	
NNC(=O)c1cccn1-c1cccc(Cl)c1	223727160	OMYXJUVHDWPZBC-UHFFFAOYSA-N	235.674	1.734	50	40	BDGB	
COc1ccc2c(c1)[C@@H](CC(=O)NN)CCC2	4429778	COFHBMQTULHTRL-SNVBAGLBSA-N	234.299	1.495	50	40	BDGB	
CC(=O)Nc1ccc(/C=N/NC(=O)C2CC2)cc1	1698773	OORSOHJIGWKXOC-RIYZIHGNSA-N	245.282	1.505	50	40	BDGB	
Br[C@@H]1OCCO[C@@H]1Br	103590912	HZDLDQRLDYAQRU-ZXZARUISSA-N	245.898	1.475	50	40	BDGB	
COc1c(C(=O)NN)cc(C)c(C)c1Cl	57340052	ZEGQYZWOIRWSPV-UHFFFAOYSA-N	228.679	1.569	50	40	BDGB	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Cl	4218199	MCQCGSGTRUNLKE-RXMQYKEDSA-N	215.684	1.603	50	40	BDGB	in-vitro
COc1cc(/C=C/C=O)cc2c1OCO2	14818114	IQMBSQBMNIILBR-NSCUHMNNSA-N	206.197	1.636	50	40	BDGB	endogenous,in-man
NNC(=O)c1sccc1Br	70162717	LCQNKHYKMPUEIM-UHFFFAOYSA-N	221.079	1.114	50	40	BDGB	
CN(C[C@@H]1CCCN1C(=O)CCl)C1CC1	79419190	IOKMDSLITYZBOF-JTQLQIEISA-N	230.739	1.310	50	40	BDGB	
Cc1ccsc1C[C@@H]1NC(=O)OC1=O	1772715066	YIFLZLYQRCQQEI-LURJTMIESA-N	211.242	1.234	50	40	BDGB	
CCOC(=O)N/N=C\c1ccccc1C(=O)O	5049244	CUAWTOHRLMRQGR-GHXNOFRVSA-N	236.227	1.465	50	40	BDGB	
CS/C(N)=C(C#N)\C(C#N)=C(\N)SC	2391791	LBQNBMSPTURKGS-SFECMWDFSA-N	226.330	1.100	50	40	BDGB	
O=C(O)[C@@H]1[C@H]2CC3(OCCO3)[C@@H]1C[C@H]2Cl	3860545	KLBCJXDWJFIPSO-LXGUWJNJSA-N	232.663	1.078	50	40	BDGB	
CC(F)(F)C(=O)OC(=O)C(C)(F)F	100397953	XKJXNFVMEATXPN-UHFFFAOYSA-N	202.103	1.367	50	40	BDGB	
Cc1ccc(N2C(=O)C[C@H](Cl)C2=O)cc1	1802859	GNBFROURUPHMGY-VIFPVBQESA-N	223.659	1.866	50	40	BDGB	
Cc1nc(N2CCOCC2)ncc1C(=O)Cl	62700653	WLCKKJCSJHHWIQ-UHFFFAOYSA-N	241.678	1.001	50	40	BDGB	
O=C(N/N=C\c1ccccc1)c1cc[n+]([O-])cc1	33340297	FBHBKJVDJMRDGV-UVTDQMKNSA-N	241.250	1.084	50	40	BDGB	
CCOc1c(/C=C/C(=O)NN)cccc1OC	216883807	IPWOPKFBXINZOT-BQYQJAHWSA-N	236.271	1.097	50	40	BDGB	
O=C(Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2244268	HETVWNJEAWTHHK-UHFFFAOYSA-N	230.563	1.882	50	40	BDGB	in-vitro
O=C1N[C@@H](Cc2ccc(F)cc2F)C(=O)O1	1772714728	NSAIIIDCYFWYNJ-QMMMGPOBSA-N	227.166	1.142	50	40	BDGB	
COc1ccc(C(=O)Cl)cc1[N+](=O)[O-]	5661924	FUXMQFBGQSNVBM-UHFFFAOYSA-N	215.592	1.982	50	40	BDGB	
O=C(O)[C@@H]1[C@@H]2CC3(OCCO3)[C@@H]1C[C@@H]2Cl	100411707	KLBCJXDWJFIPSO-OOJXKGFFSA-N	232.663	1.078	50	40	BDGB	
C[C@@H](C(=O)Cl)n1cc(Br)cn1	47218752	VYEIQDMNXCCJPI-BYPYZUCNSA-N	237.484	1.972	50	40	BDGB	
NNC(=O)c1cc(Br)c(Cl)o1	95094153	ZQEQKUJOBZAWHM-UHFFFAOYSA-N	239.456	1.299	50	40	BDGB	
CCNNC(=O)c1cn(C)c2ccccc12	239563224	YNBZOFXARPREEA-UHFFFAOYSA-N	217.272	1.433	50	40	BDGB	
CCOC(=O)NNC(=O)c1ccc[nH]c1=S	29559691	JPLOLWKVEPVALP-UHFFFAOYSA-N	241.272	1.135	50	40	BDGB	
COc1ccc(/C(C)=N/NC(C)=O)cc1OC	4578436	PRBKFXSTFZKSHT-MDWZMJQESA-N	236.271	1.564	50	40	BDGB	
Cc1ccc(S(=O)(=O)SCC(=O)O)cc1	402349	QAZKEQSRPJFQKF-UHFFFAOYSA-N	246.309	1.502	50	40	BDGB	
CCC(CC)[C@H]1N=C(N)C(=C(C#N)C#N)N1	22145682	QYHQINVEPFSQMI-LLVKDONJSA-N	217.276	1.010	50	40	BDGB	
CCCCNC(=O)/C(C#N)=C/c1cnn(C)c1	21791302	NODDAEJIAHZYLB-IZZDOVSWSA-N	232.287	1.243	50	40	BDGB	
O=C(CCl)OCCOCCCl	100076878	JTXLVIPUWWKCGU-UHFFFAOYSA-N	201.049	1.024	50	40	BDGB	
Cc1ccc(C(=O)N/N=C\c2ccc[nH]2)cn1	30819147	BVRMQOJUWNDTEL-NVNXTCNLSA-N	228.255	1.482	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(N(C)C)cc1	31636867	UFPYMTLVBJSQJK-LCYFTJDESA-N	235.287	1.833	50	40	BDGB	
CC(C)Cc1ccc(C(=O)NN)n1C(C)C	226023152	LJKZGZHWRWVONS-UHFFFAOYSA-N	223.320	1.871	50	40	BDGB	
Cc1ccc(C)c(-c2cc(C(=O)NN)[nH]n2)c1	36724790	YTHQGRVYNBONOR-UHFFFAOYSA-N	230.271	1.297	50	40	BDGB	in-vitro
N[C@H]1CCCC[C@@H]1I	5049175	RYTVLRWQAKLNTM-WDSKDSINSA-N	225.073	1.691	50	40	BDGB	
Cc1oc(C(=O)NN)nc1-c1ccccc1	107642	JNNCHPVZVJVFQX-UHFFFAOYSA-N	217.228	1.254	50	40	BDGB	
O=CN[C@H](Cl)C(Cl)(Cl)Cl	2038579	GUTALTICIZXUBM-REOHCLBHSA-N	210.875	1.668	50	40	BDGB	
O=C(N/N=C\c1ccc(O)cc1)[C@H]1CCCO1	104165319	YJJLMBUKLXDVHG-JYVXZMADSA-N	234.255	1.021	50	40	BDGB	
CC(C)(CCl)C(=O)NC1(C#N)CCC1	82511343	RIJJZCCAHSVGQX-UHFFFAOYSA-N	214.696	1.814	50	40	BDGB	in-vitro
CC(C)NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1	303600	QZGFTLPBWMOZKQ-JXMROGBWSA-N	247.298	1.777	50	40	BDGB	
CCOC(=O)N/N=C/c1cccc(OC)c1	326209	KBWRBCXYDVZSJF-XYOKQWHBSA-N	222.244	1.775	50	40	BDGB	
COC(=O)N/N=C(\C)c1nc2ccccc2n1C	7674785	ZKXSPHANPIMUKP-RIYZIHGNSA-N	246.270	1.653	50	40	BDGB	
O=C(NNc1ncccn1)[C@H]1C[C@H]1c1ccco1	49376542	ROAWBSUKCWZRIF-BDAKNGLRSA-N	244.254	1.316	50	40	BDGB	
CC(=O)NNC(=O)CSc1ccccc1F	14199242	HXNVJYLEGRHDDB-UHFFFAOYSA-N	242.275	1.085	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc(C(=O)OC)o1	95956773	IWUQWGPNKPJGDZ-FNORWQNLSA-N	235.195	1.146	50	40	BDGB	
IC[C@H]1CCCN1	72194507	XTELWMVGYJJQNY-RXMQYKEDSA-N	211.046	1.173	50	40	BDGB	
C[Si](C)(C)O[C@H]1COC[C@@H]1N=[N+]=[N-]	195991769	JYDBMEALPZGOSP-BQBZGAKWSA-N	201.302	1.916	50	40	BDGB	
N#CC(C#N)=Cc1ccc(OCCO)cc1	146682657	UCHMISGKNVVIEU-UHFFFAOYSA-N	214.224	1.488	50	40	BDGB	
O[C@@H](CBr)[C@@H]1CCCOC1	242688587	VTWVFVJCRIADFI-RQJHMYQMSA-N	209.083	1.169	50	40	BDGB	
CCOC(=O)N/N=C/c1cccc(F)c1	3231727	YDXTYRBCRCPKMD-KPKJPENVSA-N	210.208	1.906	50	40	BDGB	
CC(=O)N/N=C(\C)[C@H]1COc2ccccc2O1	4812645	DDNTYJQUXYLCFF-FMNNIJNLSA-N	234.255	1.338	50	40	BDGB	
CN(C1CC1)[C@H]1CCCN(C(=O)CCl)C1	79419214	VDVNPAKGYQKFEA-JTQLQIEISA-N	230.739	1.310	50	40	BDGB	
CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(O)C#N	97972450	IDLYALOFRASWPG-CABZTGNLSA-N	240.303	1.708	50	40	BDGB	
CCOC(=O)[C@H]1CC[C@@H](Br)C1=O	95919668	KDQZTFCNIZYCQV-NTSWFWBYSA-N	235.077	1.292	50	40	BDGB	
COC1=C(C#N)[C@H](c2ccccc2)CC(N)=N1	5662583	JEBJBKBQCYMEDQ-JTQLQIEISA-N	227.267	1.913	50	40	BDGB	
O=C(CCl)NCC(=O)c1ccc(Cl)cc1	96199282	BJMVCUHQROACST-UHFFFAOYSA-N	246.093	1.878	50	40	BDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CC1	259109	FYVWTHHBLWDOOL-WUXMJOGZSA-N	249.226	1.161	50	40	BDGB	
C[C@@H](CCOC(=O)CCl)OC(=O)CCl	1687369	GSFAEEANSDJOGX-LURJTMIESA-N	243.086	1.329	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	33434713	ZXGGHOOKPLVQHN-SSDOTTSWSA-N	241.649	1.944	50	40	BDGB	
Cc1nn(C)cc1C(=O)CBr	62152017	ZWFRPARVZXQLOV-UHFFFAOYSA-N	217.066	1.306	50	40	BDGB	in-vitro
CCO/C=C(/C#N)S(=O)(=O)Cc1ccco1	2159682	WPBXFPAFTLIVST-YFHOEESVSA-N	241.268	1.596	50	40	BDGB	
N[C@H](CCl)COC(=O)c1ccccc1	6529183	WOGWEXPUVICSGF-SECBINFHSA-N	213.664	1.410	50	40	BDGB	
C/C(=N/NC(=O)c1cccc(Cl)c1)C(=O)O	59488948	YTYKEZFQQXTYLE-SDQBBNPISA-N	240.646	1.530	50	40	BDGB	
CC1=C(C#N)O[C@@H](N2CCCC2=O)CC1	4267405	WHXFATBVWKFXJZ-LLVKDONJSA-N	206.245	1.543	50	40	BDGB	biogenic
CC(=C/C=N/NC(N)=O)c1ccccc1	2049241044	RLOGXRXJCMJVRS-DRMMYUJUSA-N	203.245	1.744	50	40	BDGB	
O=C1/C(=N/O)c2ccccc2N1CCCl	100709243	HEVKJPRWDOCEQO-FMIVXFBMSA-N	224.647	1.450	50	40	BDGB	
COc1cc(Cl)cc(/C=N/NC(C)=O)c1O	409015064	ADLTVDLGEQFSLU-LFYBBSHMSA-N	242.662	1.524	50	40	BDGB	
CC(C)N(C)C[C@@H]1CCCN1C(=O)CCl	79419127	GIYDNXNOTQJZFH-JTQLQIEISA-N	232.755	1.556	50	40	BDGB	
N#C/C(=C\c1ccccc1OC(F)F)C(N)=O	7154583	JJGDVYKIHOGVFH-VMPITWQZSA-N	238.193	1.680	50	40	BDGB	
O=C(Cl)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Cl	100075042	KANQIAARVSWKKG-ZTYPAOSTSA-N	219.067	1.956	50	40	BDGB	
N/C(=N\OC(=O)CCl)c1ccc(Cl)cc1	4277436	PKCVQMWJUHGXGA-UHFFFAOYSA-N	247.081	1.742	50	40	BDGB	
Cn1ccc(C(=O)N/N=C/c2ccccc2F)n1	132296	TYCNUUCZRJGRJJ-RIYZIHGNSA-N	246.245	1.323	50	40	BDGB	
CCOC(=O)/C(C#N)=C/N=c1/ccc(C)cn1C	13110490	KHZWEPGFJACMBA-QUHNVXOFSA-N	245.282	1.205	50	40	BDGB	
CCCCCC(=O)N/N=C/CCCCO	16923043	FABXOLMMFKGCGC-FMIVXFBMSA-N	214.309	1.831	50	40	BDGB	
CCOC(=O)C[C@]1(C)OC[C@H](CCl)O1	1676992	TUMTUTINUPUPTC-IONNQARKSA-N	222.668	1.310	50	40	BDGB	
C/C(=C\C=N\NC(N)=O)c1ccccc1	13404700	RLOGXRXJCMJVRS-AVPQAVFTSA-N	203.245	1.744	50	40	BDGB	
Cc1nc2ccc(NC(=O)NN)cc2s1	409189922	NPQBNLNEADKWPA-UHFFFAOYSA-N	222.273	1.600	50	40	BDGB	
Cc1cc(Cl)cc(Cl)c1OCC(=O)NN	216907204	APEZRWALKCEAFG-UHFFFAOYSA-N	249.097	1.671	50	40	BDGB	
N#C/C(=C\c1ccccc1)C(=O)N/C=N/O	15957122	RWEYOWNRWCXUDD-UXBLZVDNSA-N	215.212	1.127	50	40	BDGB	
Nc1ccc(SS(=O)(=O)O)cc1	2127314	WVTDQUZASXFHMT-UHFFFAOYSA-N	205.260	1.164	50	40	BDGB	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(N)=S	8514803	OPYSMORSTSQHBX-UITAMQMPSA-N	246.291	1.651	50	40	BDGB	
O=C1[C@@H](Br)CCN1c1nccs1	67802407	YEWIQJOBMDNPAT-YFKPBYRVSA-N	247.117	1.643	50	40	BDGB	
CCCCNc1nc(N)nc(CCl)n1	30834342	MYROLGBEYYZJRO-UHFFFAOYSA-N	215.688	1.405	50	40	BDGB	
O=C(CCl)N1[C@H]2CC[C@@H]1Cc1nnsc12	14000545	SSNZTGQSRRFBID-VDTYLAMSSA-N	243.719	1.365	50	40	BDGB	
CCOC(=O)/C(C#N)=C/NCc1cc(C)on1	102122140	CGPDJNCSLAVHAM-RMKNXTFCSA-N	235.243	1.043	50	40	BDGB	
Cc1nccn1CC(=O)N/N=C/c1cccs1	554386	IRAADEQIXIPZBA-NTUHNPAUSA-N	248.311	1.403	50	40	BDGB	
O=[N+]([O-])c1ccc(CBr)nc1	21985583	IODCATCUKODATB-UHFFFAOYSA-N	217.022	1.885	50	40	BDGB	
COC(=O)[C@H]1C[C@@H]2C[C@@H]1C(=O)[C@@H]2Br	103697488	XKWLNOVDLCIPOC-ZTYPAOSTSA-N	247.088	1.148	50	40	BDGB	
CC1=C[C@@]2(Nc3ccccc3O2)C(C#N)=C(N)O1	40546462	OWZQPRVPQVBAIC-ZDUSSCGKSA-N	241.250	1.815	50	40	BDGB	
C#C[C@@H](O)CCCCCBr	95725625	XWAIAHGGCLXSQW-MRVPVSSYSA-N	205.095	1.936	50	40	BDGB	
C[C@H](C=NNC=O)OCc1ccccc1	308706263	KSVAVOFBEXSSNM-SNVBAGLBSA-N	206.245	1.324	50	40	BDGB	
O=C(N/N=C\c1cccnc1)c1ccco1	30784306	HLTSONUEBAFXNJ-JYRVWZFOSA-N	215.212	1.439	50	40	BDGB	
O=C(CCl)NCCc1ccc(F)cc1	3268244	QRXAIIWZPWKFGE-UHFFFAOYSA-N	215.655	1.723	50	40	BDGB	in-vitro
C=C(Cl)CN(CC(=C)Cl)NC(C)=O	1592355	YDCFSMGDMIBTNZ-UHFFFAOYSA-N	223.103	1.845	50	40	BDGB	
C[N+](C)(C)CCSSCC[N+](C)(C)C	1748752	ZZEBJTBRKQKJBO-UHFFFAOYSA-N	238.466	1.780	50	40	BDGB	
NC(=O)N/N=C\[C@@H]1CCc2ccccc2C1	8652381	PRIOIBWJSYYYEU-ZJTXEKFPSA-N	217.272	1.446	50	40	BDGB	
O=C(Cl)c1cc(Cl)c2n[nH]nc2c1	73633868	WNDHVPXEZSZALW-UHFFFAOYSA-N	216.027	1.990	50	40	BDGB	
CCN[C@H](C(C)C)[Si](OC)(OC)OC	196684471	XHTUAIITEFRCHJ-VIFPVBQESA-N	221.373	1.038	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1ccccc1O	262002	SPQRQNMTVVNOII-JXMROGBWSA-N	217.224	1.862	50	40	BDGB	
NC(=O)NNc1nc(-c2ccccc2)cs1	1415013	PZDKXJUXQBXNCL-UHFFFAOYSA-N	234.284	1.805	50	40	BDGB	
N[C@@H]1CCCC[C@H]1I	1712375	RYTVLRWQAKLNTM-PHDIDXHHSA-N	225.073	1.691	50	40	BDGB	
CCOC(=O)[C@@H]1[C@@H](/C=C(\C)C=O)C1(C)C	59866130	NZCQSUAYJCWCDR-ZQMPTTJKSA-N	210.273	1.967	50	40	BDGB	
Cc1cc(NC(=O)CBr)no1	6678321	UOYWPJAXHXFGFE-UHFFFAOYSA-N	219.038	1.316	50	40	BDGB	in-vitro
CN1/C(=C(/C#N)C(N)=O)Sc2ccccc21	39118915	VZLJDOJKVXNZOJ-YRNVUSSQSA-N	231.280	1.449	50	40	BDGB	
CCC/C(=N\NC(N)=O)C1CCOCC1	5732025	JRECVVJSDCIBQX-FMIVXFBMSA-N	213.281	1.237	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccc2[nH]ccc2c1	13658767	OWZLDXAZJJZHNQ-CXUHLZMHSA-N	240.266	1.922	50	40	BDGB	
Cn1nccc1C(=O)N/N=C/c1cccs1	508117	USYJAFKSDMHKMG-YRNVUSSQSA-N	234.284	1.246	50	40	BDGB	
O=C(O)[C@H](Cl)[C@@H](C(=O)O)c1ccccc1	1753259	NGZHTYMBEZQKIN-JGVFFNPUSA-N	228.631	1.547	50	40	BDGB	
ClCc1nnnn1CCc1ccccc1	54743984	BBBVJRYBOJQWDN-UHFFFAOYSA-N	222.679	1.655	50	40	BDGB	
CCC(=O)N(C)N(C)C(=O)Cc1ccccc1	20064363	QCXIBWAGJOZJMM-UHFFFAOYSA-N	234.299	1.471	50	40	BDGB	
Cc1[nH]c(NC(=O)CCl)c(C#N)c1C	4015332	VDFAEFSYUAXJGK-UHFFFAOYSA-N	211.652	1.681	50	40	BDGB	
NNC(=O)c1cccn1C1CCCCC1	223720882	KROMSBHBSRKRKY-UHFFFAOYSA-N	207.277	1.597	50	40	BDGB	
ClCCOB(OCCCl)OCCCl	195752550	ROPXAMHYCWOOOJ-UHFFFAOYSA-N	249.330	1.738	50	40	BDGB	
C/C(=N\NC(N)=O)C(=O)[C@@H](C)Cc1ccccc1	4266432	XHXWFPNCACRGDT-JLBUCRLOSA-N	247.298	1.479	50	40	BDGB	
O=C1N[C@@H](CCCl)Oc2ccccc21	2041009	YEKMWXFHPZBZLR-SECBINFHSA-N	211.648	1.764	50	40	BDGB	in-man
O=C(N/N=C/c1cccc(F)c1)C1CC1	2779514	IGOLHIZMOZJHLV-NTUHNPAUSA-N	206.220	1.686	50	40	BDGB	
Cc1ccc(C(=O)N/N=C\c2ccccn2)cn1	4591989	XGDAYPNVUDKBHL-SXGWCWSVSA-N	240.266	1.549	50	40	BDGB	
NNC(=O)c1ccc(-c2ccc(O)cc2)cc1	66089514	DGBZEJPSTNFCPY-UHFFFAOYSA-N	228.251	1.663	50	40	BDGB	
CCOC1=NCCC[C@H]1Br	238255223	FDWXZEVRFCDZRU-ZCFIWIBFSA-N	206.083	1.979	50	40	BDGB	
CCCc1ccc(OCC(=O)NN)cc1	63731	AMNVUCKCECRHKQ-UHFFFAOYSA-N	208.261	1.008	50	40	BDGB	
Cc1cc(N=C=S)nc(N2CCOCC2)n1	8731108	HZFGAOLSKRDRSU-UHFFFAOYSA-N	236.300	1.356	50	40	BDGB	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(N)=S	33785020	QDCJSUOEIHYNOM-UITAMQMPSA-N	232.264	1.578	50	40	BDGB	
CC(C)(C)C(=O)/C(C#N)=C/NCCC(=O)O	100073209	AABYRGVYGPYURD-BQYQJAHWSA-N	224.260	1.073	50	40	BDGB	
NNC(=O)CCc1cc2ccccc2[nH]1	36651	UNXIRWWKAPLXMO-UHFFFAOYSA-N	203.245	1.090	50	40	BDGB	
CS(=O)(=O)n1c(CCl)nc2ccccc21	6173750	XHMADHOBJDAENF-UHFFFAOYSA-N	244.703	1.583	50	40	BDGB	
COc1ccccc1/C=C/C=N/NC(N)=O	6672927	OXVYOIWYLFSMGZ-HDZFOZLDSA-N	219.244	1.363	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\c1cccc(O)c1	96021618	PTLXKDPWDMAXKT-POHAHGRESA-N	223.253	1.301	50	40	BDGB	
CC[C@@H](C)C(=O)NNC(=O)CC(C)(C)C	84721311	RFCFLBMYWCSLKY-MRVPVSSYSA-N	214.309	1.616	50	40	BDGB	
IC[C@@H]1CCCN1	72194508	XTELWMVGYJJQNY-YFKPBYRVSA-N	211.046	1.173	50	40	BDGB	
C[C@@H](C(=O)NCCCCl)N1CCCCC1	575423785	RIYYOCWWQJWNCL-JTQLQIEISA-N	232.755	1.606	50	40	BDGB	
CN(C)c1ccc(/C=N/NC=O)c(Cl)c1	1710948	DTTLPLBVDCUAQH-WUXMJOGZSA-N	225.679	1.486	50	40	BDGB	
CC(C)C[C@H](N)C(=O)NNc1ccccc1	1721044	XVHGQSQBADOYOH-NSHDSACASA-N	221.304	1.503	50	40	BDGB	
Cc1nc2c(C)cccc2cc1C(=O)NN	32222547	LPAVKYFJJDNURX-UHFFFAOYSA-N	215.256	1.455	50	40	BDGB	
C[C@H](NC(=O)CCl)c1ccc2c(c1)OCO2	3887988	FWWRYKFYHFHDRT-ZETCQYMHSA-N	241.674	1.831	50	40	BDGB	
CCOC(=O)C1(C(=O)CBr)CC1	72191270	FCYVHOYOPMGATN-UHFFFAOYSA-N	235.077	1.294	50	40	BDGB	in-vitro
COC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1	96080	VTPSQKRYJMAJDL-GQCTYLIASA-N	222.156	1.268	50	40	BDGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccco1	1698012	OZYMOWRUCWVBSL-NTUHNPAUSA-N	246.222	1.455	50	40	BDGB	
O=C(NCCCl)N[C@H]1C[C@H]2CC[C@@H]1C2	4900774	SYLXUMNNMPYKQK-YIZRAAEISA-N	216.712	1.713	50	40	BDGB	
COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1O	59334962	UJFBUILDXJQOEJ-POHAHGRESA-N	246.266	1.396	50	40	BDGB	
CCC(=O)NNC(=O)c1cc2ccccc2[nH]1	4694283	SEDQJXTZCIQRJG-UHFFFAOYSA-N	231.255	1.339	50	40	BDGB	
Cc1ccc(/C=C(/C#N)C(N)=O)cc1F	67448449	QEQSJQYCAXMNRK-WTKPLQERSA-N	204.204	1.526	50	40	BDGB	
CC(C)N(C)[C@H]1CCCC[C@@H]1NC(=O)CCl	79419177	KFRQHTJCURFRJF-QWRGUYRKSA-N	246.782	1.993	50	40	BDGB	
COC(=O)c1nc(CBr)cs1	199822539	TUEXHSMMTASACN-UHFFFAOYSA-N	236.090	1.825	50	40	BDGB	
COC(=O)N/N=C/c1cc(OC)ccc1OC	6127147	KYZNYPZJBLECEL-KPKJPENVSA-N	238.243	1.394	50	40	BDGB	
O=C(O)[C@@H]1CC[C@H](I)C1	168682172	GZQHEJRBBBSWBA-UHNVWZDZSA-N	240.040	1.675	50	40	BDGB	
CCOC(=O)/C=C(/CBr)OC	1644985	VDUBJLXKPHPSPI-XQRVVYSFSA-N	223.066	1.475	50	40	BDGB	
O=[N+]([O-])O[C@@H]1CCCC[C@@H]1Br	1712223	FZGAJVREXRKCDM-NTSWFWBYSA-N	224.054	1.901	50	40	BDGB	
CCOC(=O)[C@@H](CCSC)N=C=S	1755271	PZIMADCJEIBHGU-SSDOTTSWSA-N	219.331	1.774	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1ccc(C(=O)O)cc1	100429683	GKQHGOPJVRRPSP-OITKXYCYSA-N	240.222	1.021	50	40	BDGB	
N#C/C(=C\c1cccc(F)c1F)C(N)=O	96298372	CZHTYDRDAZIFCS-QPJJXVBHSA-N	208.167	1.357	50	40	BDGB	
O=C(NNC1=NCCCCC1)c1ccccc1	5768640	WCCIBIZFOPWBQS-UHFFFAOYSA-N	231.299	1.894	50	40	BDGB	
CCOC(=O)NNC(=O)NC1CCCCC1	6046927	PCOVHIZRDLUSMK-UHFFFAOYSA-N	229.280	1.279	50	40	BDGB	biogenic
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCl	37654116	MDKKOTRHGIJSBK-UHFFFAOYSA-N	242.662	1.792	50	40	BDGB	
CN1CCCC[C@H]1CN(C(=O)CCl)C1CC1	79406737	LDWZPJDUQDRBIF-NSHDSACASA-N	244.766	1.701	50	40	BDGB	
NNC(=O)c1ncc(C(F)(F)F)cc1Cl	14007793	GHCOCPNXYZRGAR-UHFFFAOYSA-N	239.584	1.357	50	40	BDGB	
CCO[C@@H]1OCCC[C@@H]1Br	1615492	MKDZXJPQACWMSP-NKWVEPMBSA-N	209.083	1.923	50	40	BDGB	
O=C(NP(=O)(Cl)Cl)N1CC1	100480158	KPDGGDZLTVLVLU-UHFFFAOYSA-N	202.965	1.597	50	40	BDGB	
COc1ccc(NC(=O)CCl)cn1	3441778	LEISKMLCFDOLEJ-UHFFFAOYSA-N	200.625	1.268	50	40	BDGB	in-vitro
Cc1cc(C)nc(Nc2noc(CCl)n2)n1	20799598	AJSDBDQSMGDLMB-UHFFFAOYSA-N	239.666	1.959	50	40	BDGB	
ICCN1CCCC1	82879867	HQVVMOIPFGTHBK-UHFFFAOYSA-N	225.073	1.517	50	40	BDGB	in-vitro
O=C(CCl)N1CCO[C@@H]2CCCC[C@H]21	37654183	UVKJCEYCJSFAEU-RKDXNWHRSA-N	217.696	1.395	50	40	BDGB	in-vitro
O=C(CCl)NCCc1c(F)cccc1F	57214359	AFQLWPOVJQCIIT-UHFFFAOYSA-N	233.645	1.862	50	40	BDGB	in-vitro
CCOC(=O)Nc1snnc1C(=O)Cl	91695816	UGSVDXVZSPIWIX-UHFFFAOYSA-N	235.652	1.486	50	40	BDGB	
CC(C)N(C)[C@@H]1CCCN(C(=O)CCl)C1	79419143	ISZDHOCTLDNAGB-SNVBAGLBSA-N	232.755	1.556	50	40	BDGB	
O=C1N[C@H](Cc2c(F)cccc2F)C(=O)O1	1772714714	LQWRUXLBEIJRRX-MRVPVSSYSA-N	227.166	1.142	50	40	BDGB	
CN1CCOC(=O)C(C#N)=C1c1ccccc1	1607561	XCNBDQDPHFMBCV-UHFFFAOYSA-N	228.251	1.410	50	40	BDGB	
Cn1cc(Br)c(CCl)n1	12370765	WHHNKVUVLZLAAM-UHFFFAOYSA-N	209.474	1.921	50	40	BDGB	in-vitro
CCOc1ccc(-n2nnnc2CCl)cc1	4129654	ALDOOZVZBVSDKI-UHFFFAOYSA-N	238.678	1.800	50	40	BDGB	
CC(C)=NNC(=O)[C@H]1COc2ccccc2O1	5377841	JCMZCWDKUZNROU-LLVKDONJSA-N	234.255	1.338	50	40	BDGB	
NC(=O)[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	196611699	XKLDNVWIAGLONK-ZETCQYMHSA-N	214.608	1.360	50	40	BDGB	
CCOC(=O)/C(C#N)=C\N=c1/cc(C)ccn1C	33333262	GMAOTMGPHNVJEQ-XOANFOMVSA-N	245.282	1.205	50	40	BDGB	
NNC(=O)CSc1ccc2ccccc2c1	282509	IRXWWFNPDTWLRO-UHFFFAOYSA-N	232.308	1.922	50	40	BDGB	
O=C(CCl)NC[C@H]1C[C@H]2CC[C@@H]1C2	6317419	DEMBNIDNLWDHLT-DJLDLDEBSA-N	201.697	1.778	50	40	BDGB	
O[C@@H](CCl)C[n+]1ccc2ccccc2c1	501462	BXKWGZTXCDWENV-LBPRGKRZSA-N	222.695	1.727	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccc(F)cc1	59475527	LRTQGWRMBAXQMR-RIYZIHGNSA-N	219.219	1.580	50	40	BDGB	
NC(=O)N/N=C/c1c(O)ccc2ccccc12	3109252	VWXAGXAZEDGCJS-VGOFMYFVSA-N	229.239	1.548	50	40	BDGB	
CN(C[C@H]1CCCN1C(=O)CCl)C1CC1	79419197	IOKMDSLITYZBOF-SNVBAGLBSA-N	230.739	1.310	50	40	BDGB	
Cn1cc(/C=C(\C#N)C(N)=O)c2ccccc21	243474	LGYVLFHACJJYFY-RMKNXTFCSA-N	225.251	1.571	50	40	BDGB	
NNC(=O)c1sc(-c2ccccc2)cc1N	2654098	ROKLCALOHFBIDA-UHFFFAOYSA-N	233.296	1.601	50	40	BDGB	
CCOC(=O)NNC(=O)NCc1ccccc1	25056166	SQVHBBGDOXROHO-UHFFFAOYSA-N	237.259	1.147	50	40	BDGB	
COc1ccc(/C(C=O)=C/N(C)C)cc1OC	39241597	PEUBLRZCVLVRLD-DHZHZOJOSA-N	235.283	1.805	50	40	BDGB	
CS(=O)(=O)c1ccc(CCCCl)c(N)c1	199553853	JOKZORRQRIYGNS-UHFFFAOYSA-N	247.747	1.844	50	40	BDGB	
COc1cc(O)c(C(=O)CCl)c(OC)c1	34768919	YYZOHIUWSIOMEW-UHFFFAOYSA-N	230.647	1.831	50	40	BDGB	
O=C(CBr)c1ccc([N+](=O)[O-])o1	4543054	FAEDODRXBRCMDU-UHFFFAOYSA-N	234.005	1.765	50	40	BDGB	
C[C@@H](O)CCOCCCBr	6443010	PRVZKLVSNNERDA-SSDOTTSWSA-N	211.099	1.559	50	40	BDGB	
CN(Cc1ccsc1)C(=O)CCl	8231221	AMWGTYGJMKTLDM-UHFFFAOYSA-N	203.694	1.945	50	40	BDGB	in-vitro
O=C(O)CN1CCC(CBr)CC1	79390370	JRYBXZFYJBFBJM-UHFFFAOYSA-N	236.109	1.178	50	40	BDGB	
C=CCOc1ccc(/C=N\NC(N)=O)cc1OC	33361149	FJWIGUQFKAKAAB-ZSOIEALJSA-N	249.270	1.262	50	40	BDGB	
Cc1nc(-c2ccccc2)c(C(=O)NN)s1	72233396	UQRPNIOBMPQZML-UHFFFAOYSA-N	233.296	1.722	50	40	BDGB	
NNC(=O)c1ccc(F)cc1OC(F)(F)F	90612992	FJEOMSZIQHYQON-UHFFFAOYSA-N	238.140	1.328	50	40	BDGB	
Cn1cccc1CC(=O)N/N=C\c1cccs1	5204417	FCBDYYLPQOSFNU-LCYFTJDESA-N	247.323	1.779	50	40	BDGB	
N#CSCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	12403076	LTEHQEQTUALDQW-OCAPTIKFSA-N	222.269	1.109	50	40	BDGB	
C/C(=N/NC(=O)c1cnccn1)c1ccncc1	13111746	FDOVHAATHTXBQP-SXGWCWSVSA-N	241.254	1.026	50	40	BDGB	
C=CCNC(=S)NNC(=O)c1ccc(C)cc1	4618714	GGZIBCSIGCEWLM-UHFFFAOYSA-N	249.339	1.290	50	40	BDGB	
COC[C@H](C)NC(=O)/C(C#N)=C/c1occc1C	78904213	BYKGPZGDOPRYJF-OTXQMUPVSA-N	248.282	1.646	50	40	BDGB	
COC(=O)[C@H]1C[C@H]2C[C@H]1C(=O)[C@H]2Br	242718353	XKWLNOVDLCIPOC-JWXFUTCRSA-N	247.088	1.148	50	40	BDGB	
CC[C@@H](C)c1ccc(OCC(=O)NN)cc1	586030	LHAGSMCHWJZCGT-SECBINFHSA-N	222.288	1.569	50	40	BDGB	in-vitro
COc1ccc(NC=C(C#N)C#N)cn1	15937670	OVDRECJMWFWVFZ-UHFFFAOYSA-N	200.201	1.433	50	40	BDGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)C1CC1	31649133	MGNFPRKOGRPBPM-MLPAPPSSSA-N	232.239	1.275	50	40	BDGB	
O=C(NNc1ccccc1)c1ccc(CO)cc1	40448087	PLIHJTRDMLTGTL-UHFFFAOYSA-N	242.278	1.936	50	40	BDGB	
C#Cc1ccc(C#CC#C[C@@H](O)CCl)s1	13386137	FGVSQYJMADNDRE-SNVBAGLBSA-N	234.707	1.684	50	40	BDGB	
CC(/C=C/c1ccccc1)=N\NC(=O)CN(C)C	17119946	IHGZNSZPOZABHV-MKQCFFQWSA-N	245.326	1.754	50	40	BDGB	
Cc1ccc(NC(=O)NC(=O)CCl)cc1	1866196	FLTLDRPQJUQSPI-UHFFFAOYSA-N	226.663	1.882	50	40	BDGB	in-vitro
COCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	6004138	MFCBDUBPBZVGIX-FLIBITNWSA-N	246.266	1.062	50	40	BDGB	
CCCCCCC(=O)NNC(=S)NCC	6782967	GKBQMCAEWTVLBI-UHFFFAOYSA-N	231.365	1.472	50	40	BDGB	
C[C@@H](c1ccccc1)n1cncc1C(=O)NN	215123993	IPAXXCZNBPICEG-VIFPVBQESA-N	230.271	1.096	50	40	BDGB	
NC(=O)N/N=C/c1nc2ccccc2s1	85409930	JSWBRQNJZUNHDC-VZUCSPMQSA-N	220.257	1.299	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccccc1	96518911	UGIJGOSTAMHYHN-VHSXEESVSA-N	248.731	1.720	50	40	BDGB	
N#Cc1ccc(/C=N/NC(=O)c2ccco2)cc1	4358317	AVBYTXMEDRYRJQ-OQLLNIDSSA-N	239.234	1.915	50	40	BDGB	
Cc1ccc2cccc(CC(=O)NN)c2c1	1745624	UJVDZBWYQHPWBL-UHFFFAOYSA-N	214.268	1.681	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(NC(C)=O)cc1	1712961	PTWUJUMLKSGPQU-MDWZMJQESA-N	249.270	1.725	50	40	BDGB	
CC(=O)C(C(C)=O)C(Cl)C(C(C)=O)C(C)=O	104219325	KBNKGHMZQUURQM-UHFFFAOYSA-N	246.690	1.182	50	40	BDGB	
C[C@]12OO[C@@](C)(c3ccccc31)[C@H]1O[C@@H]12	104037770	CUTPXGIPWKCNTF-BJDJZHNGSA-N	204.225	1.860	50	40	BDGB	
O=C(NNC(=O)C1CCCCC1)c1cccnc1	4474799	OVOIRNAKPAZJOL-UHFFFAOYSA-N	247.298	1.423	50	40	BDGB	
CC(C)CC(=O)Nc1ccc(C(=O)NN)cc1	142713	SEVLXKQTRSLPIS-UHFFFAOYSA-N	235.287	1.275	50	40	BDGB	
CN(C)S(=O)(=O)c1ccccc1N=C=S	1569015	KNZGOZLNWRUQKZ-UHFFFAOYSA-N	242.325	1.671	50	40	BDGB	
C[C@H](CCOC(=O)CCl)OC(=O)CCl	8580368	GSFAEEANSDJOGX-ZCFIWIBFSA-N	243.086	1.329	50	40	BDGB	
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCl	103534587	IYYFXHLVDINJAI-HTQZYQBOSA-N	248.109	1.743	50	40	BDGB	
NC(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1	48286670	GIZRLVBPWGRRNX-GIDUJCDVSA-N	247.233	1.218	50	40	BDGB	
O=C1COc2ccc(CBr)cc2N1	69803747	XPXDQHSFTLVMDJ-UHFFFAOYSA-N	242.072	1.912	50	40	BDGB	
CCCC(=O)NNc1ccc([N+](=O)[O-])cc1	4575080	RTNSKWDZWDAZIN-UHFFFAOYSA-N	223.232	1.838	50	40	BDGB	biogenic
ClC[C@@H]1CCCN(c2ncccn2)C1	71063910	ZRRVPSMHLUSCGK-VIFPVBQESA-N	211.696	1.932	50	40	BDGB	
Cn1ncc(Br)c1CCl	72339687	LAAPPVDLHYCAQY-UHFFFAOYSA-N	209.474	1.921	50	40	BDGB	in-vitro
C/C(=N/NC(N)=O)c1ccccc1Cl	13152235	QRYYNWCEQGXCED-SDQBBNPISA-N	211.652	1.732	50	40	BDGB	
C/C(=N\NC(N)=O)[C@@H]1CCc2ccccc2C1	16951888	OSAGCSVVFPJEPD-BTAWCLGRSA-N	231.299	1.836	50	40	BDGB	
CC(=O)CC(=O)N(N=O)c1ccccc1C	4963997	YMZQJRDHMURPHX-UHFFFAOYSA-N	220.228	1.989	50	40	BDGB	
COc1cc(C)c(Cl)c(C)c1C(=O)NN	57339663	HBMZXSXJGJHNSE-UHFFFAOYSA-N	228.679	1.569	50	40	BDGB	
C[C@H]1CN[C@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N	101810071	WYWIMOATJMGNNL-XCCSTKFXSA-N	230.311	1.858	50	40	BDGB	
CNC(=O)NNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	56375621	VOBLIKYXCHZHLI-DTWKUNHWSA-N	239.319	1.185	50	40	BDGB	
Cn1cc(/C=C(\C#N)c2ccccn2)cn1	9119040	HZCRMQISSHYYIY-IZZDOVSWSA-N	210.240	1.879	50	40	BDGB	
C[C@H](O)C(=O)N/N=C/c1ccccc1Cl	38817899	GLTZQRQKBBRZGK-NYYVKIQXSA-N	226.663	1.171	50	40	BDGB	
CC/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	5414773	SIMGPTICBXTDSM-YRNVUSSQSA-N	221.216	1.720	50	40	BDGB	
CCC(=O)N(C)N(C)C(=O)CCc1ccccc1	20064367	NPACREGMZUYMJN-UHFFFAOYSA-N	248.326	1.861	50	40	BDGB	
COC(=O)c1cc(C(=O)CCl)ccc1O	62722149	HZDXLMKEOXIOPH-UHFFFAOYSA-N	228.631	1.600	50	40	BDGB	
Cc1cc(C(=O)N/N=C/c2ccco2)[nH]n1	8971917	BTQGDEZRZUWLRK-IZZDOVSWSA-N	218.216	1.075	50	40	BDGB	
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCl	17951278	WBCYUPGJTFWHCV-BZNPZCIMSA-N	225.675	1.032	50	40	BDGB	
C=C1CC(C(=O)N/N=C/c2ccccc2O)C1	33035	HJIPIECLBOHMJC-RIYZIHGNSA-N	230.267	1.809	50	40	BDGB	
O=C(N/N=C\c1ccccc1O)c1ccccn1	19849601	JROVPEHJQHDYQV-DHDCSXOGSA-N	241.250	1.551	50	40	BDGB	
O=[N+]([O-])O[C@@H]1CCCC[C@H]1Br	1712221	FZGAJVREXRKCDM-PHDIDXHHSA-N	224.054	1.901	50	40	BDGB	
C[C@H]1CN[C@@H](c2ccccc2)[C@H](C)[C@]1(O)C#N	100287156	WYWIMOATJMGNNL-VTPLQMEGSA-N	230.311	1.858	50	40	BDGB	
NCCC(=O)N/N=C/c1ccc2ncccc2c1	5112090	IZWUNFRPGZFTPJ-CXUHLZMHSA-N	242.282	1.034	50	40	BDGB	
O=C(CCl)NCc1ccc2c(c1)OCCO2	40798291	SETNKMWGSPVULQ-UHFFFAOYSA-N	241.674	1.313	50	40	BDGB	
CC(C)(C)OC(=O)NCC#CCCl	34319466	FVQYBAASQSUZOP-UHFFFAOYSA-N	203.669	1.753	50	40	BDGB	in-vitro
CN(C(=O)c1ccc(Cl)cc1)[N+](=O)[O-]	5477504	BRGGIUASAMPHHO-UHFFFAOYSA-N	214.608	1.604	50	40	BDGB	
CC/C(=N\NC(N)=O)c1ccc(C)cc1	5699353	ANXFRTGWNKSKAT-JLHYYAGUSA-N	205.261	1.777	50	40	BDGB	
O=C(N/N=C/c1ccoc1)c1cccnc1	2754297	AQDULAFJKLOLQN-AWNIVKPZSA-N	215.212	1.439	50	40	BDGB	
O=C(CCl)NC1CCC2(CC1)OCCO2	57214352	SXWDERBJDCRJQN-UHFFFAOYSA-N	233.695	1.027	50	40	BDGB	in-vitro
CC/C(=N\NC(N)=O)c1cc(F)ccc1O	57772734	GYORWHXQHHFGBA-MDWZMJQESA-N	225.223	1.314	50	40	BDGB	
COc1ccc(CNC(=O)CCl)c(OC)c1	13609375	JFRSJSADGNJHOE-UHFFFAOYSA-N	243.690	1.559	50	40	BDGB	
O=C(CCl)Nc1nc(C2CC2)no1	71373523	RLBHFYVFVXOPST-UHFFFAOYSA-N	201.613	1.124	50	40	BDGB	in-vitro
CS(=O)(=O)/C(C#N)=C\c1ccc(F)cc1	96021474	SZJAKNWPFVEMBA-POHAHGRESA-N	225.244	1.735	50	40	BDGB	
CCOC(=O)COc1cnccc1CCl	45028242	NACRXIRBLXBZHB-UHFFFAOYSA-N	229.663	1.762	50	40	BDGB	
Cc1oncc1C(=O)CBr	87224508	SXAKTEPTECTRJG-UHFFFAOYSA-N	204.023	1.561	50	40	BDGB	
COc1ccc(O)c(C(=O)CBr)c1	90627393	SHEOHUHOTMQILK-UHFFFAOYSA-N	245.072	1.978	50	40	BDGB	
CC1(C)c2ccc(B(O)O)cc2C(C)(C)C1(C)C	219791229	LGVRXOHBLJHVRL-UHFFFAOYSA-N	246.159	1.961	50	40	BDGB	
O=S(=O)(O)SCc1ccccc1	1671618	VOCWPYMPRRRJGS-UHFFFAOYSA-N	204.272	1.723	50	40	BDGB	in-vitro
O=C(NN=C1CCCC1)c1[nH]nc2c1CCC2	13556279	NWFDQDLNMQULTG-UHFFFAOYSA-N	232.287	1.558	50	40	BDGB	
CCC(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	102585055	VPLCFEDHFNEKQI-CIUDSAMLSA-N	241.360	1.080	50	40	BDGB	
COc1cc[n+]([O-])c(CCl)c1OC	22054712	RRLZGDPJSCKVJW-UHFFFAOYSA-N	203.625	1.076	50	40	BDGB	in-vitro
O=C=Nc1cccc(CN2CCOCC2)c1	20230809	XJXYHQOMLIRLFC-UHFFFAOYSA-N	218.256	1.486	50	40	BDGB	
CCN(C(=O)CCl)C1CCN(C)CC1	79406554	LSXFAEKMGCWXMV-UHFFFAOYSA-N	218.728	1.168	50	40	BDGB	
O[C@H](CBr)[C@@H]1CCCOC1	242688586	VTWVFVJCRIADFI-RNFRBKRXSA-N	209.083	1.169	50	40	BDGB	
OCCCCCI	38313119	SWYCSFHXRGKNBP-UHFFFAOYSA-N	214.046	1.584	50	40	BDGB	
Cc1ccc2c(c1)/C(=N/NC(N)=O)C[C@H]2C	4266875	QFFIUHBDNPEEOZ-RDQYORKRSA-N	217.272	1.875	50	40	BDGB	
O=[P@@]12OCCCN1CCN2CCCl	1559802	PWGJOPOXRGOWLB-CYBMUJFWSA-N	224.628	1.371	50	40	BDGB	in-vitro
CCC1CCC(C(=O)NNC(=O)OC)CC1	246897	XJZAGAXUWXRLBF-UHFFFAOYSA-N	228.292	1.590	50	40	BDGB	
CC(=O)N/N=C/c1cc(C)c(O)c(C)c1	7946341	QIIDTFBIUQEFOE-WUXMJOGZSA-N	206.245	1.479	50	40	BDGB	
COCc1ccc(/C=C(/C#N)C(N)=O)cc1	96428779	MUHNMCOKZSFHFP-WDZFZDKYSA-N	216.240	1.225	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1cc2ccccc2o1	6543196	ZEMSELLTLDNTOO-UHFFFAOYSA-N	246.266	1.850	50	40	BDGB	
CC(C)(C)OC(=O)N1C(C#N)=CS[C@@H]1N	71791427	LWFSTJAACYFVAT-SSDOTTSWSA-N	227.289	1.578	50	40	BDGB	
Cc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1	31937771	HWHSSDMQHDCVKU-ZROIWOOFSA-O	234.323	1.151	50	40	BDGB	
CO/C=C(\F)C(=O)NNc1ccccc1	96171713	LVYTXRPOTZRSAT-CLFYSBASSA-N	210.208	1.587	50	40	BDGB	
NC(=O)N/N=C1\CCCSc2ccccc21	347384	PRDGGWPJLOYXFZ-UKTHLTGXSA-N	235.312	1.945	50	40	BDGB	
C[C@@]1(Cl)CC(C#N)(C#N)C(C#N)=C(N)O1	539513	OFTISCQJIJAQLI-QMMMGPOBSA-N	222.635	1.089	50	40	BDGB	
O=C(NNc1ccc(F)cc1)C1CCNCC1	178018120	CCCJMPNBQXMWMX-UHFFFAOYSA-N	237.278	1.268	50	40	BDGB	
Cc1ccc(CNC(=O)CCl)cc1F	12505018	MEWJBOHBUVLNFW-UHFFFAOYSA-N	215.655	1.989	50	40	BDGB	in-vitro
C=CCNC(=O)C/C(C)=N/NC(=O)CCCC	5308215	PFLCLRSIWVOCGZ-GXDHUFHOSA-N	239.319	1.361	50	40	BDGB	
CC[C@](C)(C(=O)NN)N1C[C@@H](C)C[C@@H](C)C1	22123755	JNHOQSQNKYKMOU-JFGNBEQYSA-N	227.352	1.123	50	40	BDGB	
Cc1occc1C(=O)NNC(=O)C1CCC1	36350932	PNQQLFZKGBZFAK-UHFFFAOYSA-N	222.244	1.149	50	40	BDGB	
Cc1ccc2c(c1)/C(=N\NC(=O)C(C)C)C(=O)N2	46426638	ZIOFFJIEICLSOX-UHFFFAOYSA-N	245.282	1.423	50	40	BDGB	
COC[C@@H]1CCCCN1C(=O)CCl	79392012	FDMLFZOJDQDBIU-QMMMGPOBSA-N	205.685	1.253	50	40	BDGB	
N#C/C(=C\c1ccco1)C(=O)NC[C@@H]1CCCO1	227292	VOKPOWPYVFWWJL-PMDBQALLSA-N	246.266	1.482	50	40	BDGB	
C/C(=N/NC(N)=O)c1ccc(Cl)s1	5412225	QRVWNCQEOQVZGE-WMZJFQQLSA-N	217.681	1.794	50	40	BDGB	
O=C1O[C@H]2C[C@H]1CC[C@H]2Br	104151623	HIEDNXSBEYNHJB-PBXRRBTRSA-N	205.051	1.475	50	40	BDGB	
CC(C)=NNC(=O)C(=O)Nc1ccccc1	59515719	BZGNMLSFRKFGSS-UHFFFAOYSA-N	219.244	1.137	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccncc1	12410311	RYDSVRQFJAUEAO-MDWZMJQESA-N	203.245	1.332	50	40	BDGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(N)=O	3346771	CSAOTRPXJJNCSF-RMKNXTFCSA-N	225.251	1.869	50	40	BDGB	
CC(C)C(=O)N/N=C1\C(=O)Nc2ccc(F)cc21	223755998	JBGZHVTWBKEQNN-UHFFFAOYSA-N	249.245	1.254	50	40	BDGB	
COc1ccc(-c2ccccc2B(O)O)cc1	196828860	VJEUXWYNNQERFD-UHFFFAOYSA-N	228.056	1.042	50	40	BDGB	
CSc1ccc(/C=N/NC(C)=O)cc1	5480899	IPTJECOTRLWBGX-YRNVUSSQSA-N	208.286	1.879	50	40	BDGB	
O=C1[C@@H](Br)CCN1c1ccccn1	34561810	JPCKIIKLHQPWFV-ZETCQYMHSA-N	241.088	1.582	50	40	BDGB	
CC(=O)N[C@@H]1CCC(=O)[C@H](Br)C1	90759688	WBTGJPGTKKCSKY-RNFRBKRXSA-N	234.093	1.008	50	40	BDGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(N)=O	6209235	WQDNQCHYNZEHHN-VMPITWQZSA-N	238.193	1.680	50	40	BDGB	
CC(/C=C/c1ccco1)=N/NC(=O)CC#N	17286313	JKRSRMDKSCJPSX-AADUQDCISA-N	217.228	1.699	50	40	BDGB	
Cn1nc(C(C)(C)C)cc1NC(=O)CCl	38341980	OPNAAOFHIMONBU-UHFFFAOYSA-N	229.711	1.895	50	40	BDGB	
CN(C)[C@H]1CC[C@@H](NC(=O)CCl)CC1	100202144	WHAIWCKWYINKRO-KYZUINATSA-N	218.728	1.214	50	40	BDGB	
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CCl	5756845	ZVFPITXYMVJWTC-UHFFFAOYSA-N	239.618	1.644	50	40	BDGB	
C#CCO[C@H]1CCC[C@@H]1Br	39118002	SQQPFWGVBRZKRC-YUMQZZPRSA-N	203.079	1.952	50	40	BDGB	
Cc1cccn1Cc1ccc(C(=O)NN)cc1	226032304	CTQKEWQOJACCSO-UHFFFAOYSA-N	229.283	1.448	50	40	BDGB	
[C-]#[N+]CCN1CCN(c2ccccn2)CC1	95698016	OUDBQZBOHWZSSB-UHFFFAOYSA-N	216.288	1.123	50	40	BDGB	
COC(=O)c1ccc(C(=O)CCl)cc1	34849891	LFGRGJFMWACNLR-UHFFFAOYSA-N	212.632	1.895	50	40	BDGB	
C[C@H]1CCCC[C@@H]1OCCNC(=O)CCl	60273310	RVMIESYPNSHJQN-UWVGGRQHSA-N	233.739	1.937	50	40	BDGB	in-vitro
Cc1cc(SC#N)c(O)c(C(=O)O)c1	57339053	KHPRKPQPITZDGY-UHFFFAOYSA-N	209.226	1.972	50	40	BDGB	
CNCC(=O)N/N=C/c1ccc(Cl)cc1	408973735	QPFWVSCGHYCPEB-AWNIVKPZSA-N	225.679	1.010	50	40	BDGB	
CCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1	199540317	XNSDNLHVCQYSOC-UHFFFAOYSA-N	244.074	1.735	50	40	BDGB	
O=C(CO)N/N=C/c1ccc(Cl)cc1Cl	47741	YDBGQKVFNYNLNL-UUILKARUSA-N	247.081	1.436	50	40	BDGB	
CN(C)C(=O)c1ccc(NC(=O)CCl)cc1	2641185	DDTWPYQAIJYIGK-UHFFFAOYSA-N	240.690	1.566	50	40	BDGB	
COc1ccc([C@H]2NC[C@@H](CCl)O2)cc1	20248312	YUXWKIZJLDPWOG-MNOVXSKESA-N	227.691	1.921	50	40	BDGB	
CC(=O)N1CCC[C@@H](Br)C1	79436805	ZLEFMBFCUAGCCW-SSDOTTSWSA-N	206.083	1.392	50	40	BDGB	
NNC(=O)CCCCCCCCC(=O)O	5479800	XRNSUHLEVOUTDT-UHFFFAOYSA-N	216.281	1.182	50	40	BDGB	
N#C/C(N)=C(C#N)\N=C\c1cccc(Cl)c1	100394833	BKMDREINDHMFQI-XVCWLYTKSA-N	230.658	1.976	50	40	BDGB	
CC/C(C)=N/NC(=O)CCn1nc(C)cc1C	36640170	CTDBOARBMWRIJC-UKTHLTGXSA-N	236.319	1.792	50	40	BDGB	
C[C@H]1CN[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)C#N	101810064	WYWIMOATJMGNNL-UNJBNNCHSA-N	230.311	1.858	50	40	BDGB	
O=C(Cl)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Cl	108954798	KANQIAARVSWKKG-VWDOSNQTSA-N	219.067	1.956	50	40	BDGB	
O=C(NN=C1CCCCCC1)C(=O)NC1CC1	8218615	BYNSQLCORGAAMU-UHFFFAOYSA-N	237.303	1.091	50	40	BDGB	
CCOc1cc(/C=N/NC(=O)CC#N)ccc1O	143675	LXOVGNQYLARTNL-RIYZIHGNSA-N	247.254	1.155	50	40	BDGB	
COC(=O)N/N=C/c1ccccc1OC	491977	BQCFODNWZNDAJH-YRNVUSSQSA-N	208.217	1.385	50	40	BDGB	
NNC(=O)CCCNc1ccc(Cl)cc1	2802014	HYYBVGCLMJKFMN-UHFFFAOYSA-N	227.695	1.522	50	40	BDGB	
O=S(=O)(c1ccccc1)N1C[C@@H]1CCl	4813919	SQTMFYHGMHORHJ-YMNIQAILSA-N	231.704	1.298	50	40	BDGB	
CO[Si](C)(C)C[C@@H](C)CNCCN	199870533	XKHOHWZKCFNGEP-VIFPVBQESA-N	204.390	1.022	50	40	BDGB	
NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	37921510	HOXAIVDFJLSIQV-MNOVXSKESA-N	220.272	1.144	50	40	BDGB	
C[C@@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CBr	3865738	YCFGJEUKLHTOAS-WQGWLQIFSA-N	245.116	1.956	50	40	BDGB	
COc1ccc(/C=C/C=N/NC(C)=O)cc1	409019117	IHHFNXXOVHDGLO-GUNLQBCDSA-N	218.256	1.830	50	40	BDGB	
NNC(=O)c1c[nH]c(=S)n1Cc1ccccc1	225319580	OIQHVYGDHIWUDV-UHFFFAOYSA-N	248.311	1.197	50	40	BDGB	
COC(=O)c1ncc(CBr)s1	230485360	IFGZIRNIQWIWKO-UHFFFAOYSA-N	236.090	1.825	50	40	BDGB	
CO[C@H]1COCC[C@@H]1CBr	307220235	OREIHDVPJUHSPX-RQJHMYQMSA-N	209.083	1.433	50	40	BDGB	
Cc1n[nH]c2c1[C@@H](c1ccoc1)C(C#N)=C(N)N2	809313	LJQGBSXGPPWDTF-JTQLQIEISA-N	241.254	1.562	50	40	BDGB	
O[C@H](CCl)COCC#Cc1ccccc1	6514510	GYSFZWCMDVTFEL-GFCCVEGCSA-N	224.687	1.654	50	40	BDGB	
CCOc1cccc(/C=N/NC(=O)OC)c1O	3526494	BTEPQQKPFCTRJK-KPKJPENVSA-N	238.243	1.481	50	40	BDGB	
CC1(C)OC[C@@H]1I	606301353	KEHVGOVPDSPAOK-BYPYZUCNSA-N	212.030	1.599	50	40	BDGB	
CCN(C(=O)CCl)[C@H]1CC[C@H](N(C)C)CC1	242687515	ULESOMSADFYPCV-XYPYZODXSA-N	246.782	1.947	50	40	BDGB	
CCCCNC(=O)[C@H](C)Br	34195320	BETBSAMQQJPHJV-LURJTMIESA-N	208.099	1.686	50	40	BDGB	
COC(=O)NNC(=O)Nc1ccccc1F	23042613	RCDMTDXEHIOABZ-UHFFFAOYSA-N	227.195	1.218	50	40	BDGB	
C#CCOc1cccc(/C=C(/C#N)C(N)=O)c1	408941533	WWOMGTVSUSNMKZ-XFFZJAGNSA-N	226.235	1.091	50	40	BDGB	
COc1ccc(/C=N/NC(N)=O)cc1Cl	565972	YUAONOAUNQOYFZ-LFYBBSHMSA-N	227.651	1.351	50	40	BDGB	
O=C1[C@H](CCCl)Sc2ncnn21	38700852	ZHVQDVGOEZNQLY-BYPYZUCNSA-N	203.654	1.022	50	40	BDGB	
NC(=O)c1ccc(-c2noc(CCl)n2)cc1	1582935359	SAOZEFRMYXKZCB-UHFFFAOYSA-N	237.646	1.574	50	40	BDGB	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1	103334020	JKZLNWFBIUZOLB-LPEHRKFASA-N	248.282	1.477	50	40	BDGB	
COC(=O)N/N=C/C=C/c1cccc([N+](=O)[O-])c1	2295099	MCKGLMCMPWAIKX-PPRDQHCASA-N	249.226	1.950	50	40	BDGB	
COC(=O)[C@@H](Cc1ccccc1)N=C=S	4268903	XIAZBEQOUOVUEY-SNVBAGLBSA-N	221.281	1.874	50	40	BDGB	
CC(=O)Oc1c(C)cc([N+](=O)[O-])cc1/C=N/O	216770624	VGHSKVUMGQDUQZ-VZUCSPMQSA-N	238.199	1.637	50	40	BDGB	
NC(=O)N/N=C1\C[C@@H]2CC[C@H]3CC[C@@H]1[C@H]32	43761574	ZIHBTTIOZKHGHZ-SFLKYJFGSA-N	207.277	1.467	50	40	BDGB	
O=C(NCCBr)c1cccs1	5945321	WOHAXASSODDERR-UHFFFAOYSA-N	234.118	1.873	50	40	BDGB	
C[C@H](Br)[C@H](O)C(F)(F)F	4329272	ZYTIKOBNGZIVKJ-HRFVKAFMSA-N	206.989	1.693	50	40	BDGB	in-vitro
CC1(C)[C@H]2CC[C@]1(C)C(=N/NC(N)=O)/C2=C\O	100367164	KPCMUWYRHDIGLH-RYEYPVRXSA-N	237.303	1.909	50	40	BDGB	
Cc1cc(C(=O)NNC(=O)CC(C)C)c(C)o1	12772806	AKVIOKWBMYWNEM-UHFFFAOYSA-N	238.287	1.704	50	40	BDGB	
CCCCS/C(S)=C(\C#N)C(N)=O	256027871	HNJWXSYCRKMVGQ-SOFGYWHQSA-N	216.331	1.670	50	40	BDGB	
N#C/C(=C\N)S(=O)(=O)c1ccc(Cl)cc1	2159074	BOTZBEHWOJJLSC-WEVVVXLNSA-N	242.687	1.437	50	40	BDGB	
CN(C)NC(=O)[C@@H](Cl)c1ccccc1	5677754	SCOBVDLCZQRYIX-VIFPVBQESA-N	212.680	1.559	50	40	BDGB	
NNC(=O)C12[C@H]3CCC[C@H]1C32c1ccccc1	101027534	BNILRHQAVFHIFF-BCVKRFQSSA-N	228.295	1.344	50	40	BDGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccncc1	408815533	RPSNXBLHLXEMOU-MJWAUXSNSA-N	229.283	1.903	50	40	BDGB	
CCOC(=O)c1cnc(CCl)nc1C	95757437	PTHZJIMXQNWQGW-UHFFFAOYSA-N	214.652	1.701	50	40	BDGB	
C/C(=N/NC(=O)c1cnccn1)c1ccccc1	19835421	SHXXDOVTHJNLHY-YBEGLDIGSA-N	240.266	1.631	50	40	BDGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C1CC1	482740	MGNFPRKOGRPBPM-AWNIVKPZSA-N	232.239	1.275	50	40	BDGB	
Cc1ccc(C)n1Cc1ccccc1C(=O)NN	226032465	IKHBZRSPBKDRBK-UHFFFAOYSA-N	243.310	1.757	50	40	BDGB	
O=C(Nc1ccccc1)[C@H](Cl)[N+](=O)[O-]	100467688	ZCSLYILIAWVOPT-SSDOTTSWSA-N	214.608	1.467	50	40	BDGB	
O=C(CCl)N(Cc1cccnc1)C1CC1	37828995	WJXAWQPXPARKQB-UHFFFAOYSA-N	224.691	1.811	50	40	BDGB	
CCOc1ccc(/C=N/NC(=O)C2CC2)cc1	511041	IBMYWCXJKNVBPC-NTEUORMPSA-N	232.283	1.945	50	40	BDGB	
BrCCNCCc1ccncc1	1776036	PZGSTGVSNBRNEC-UHFFFAOYSA-N	229.121	1.609	50	40	BDGB	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)CCl	79406431	UEFZHZMOIJOVJO-DTWKUNHWSA-N	218.728	1.214	50	40	BDGB	
CCOC(=O)/C(C)=N/NC(=O)c1ccccc1	4071439	OZNUYZXPDBNKNQ-UKTHLTGXSA-N	234.255	1.355	50	40	BDGB	
O=S(=O)(Cc1ccccc1)OCCCl	1687866	IPBRTIZQCXVAOA-UHFFFAOYSA-N	234.704	1.772	50	40	BDGB	
Cc1ccc2ccccc2c1CC(=O)NN	1733066	DPBNZIAZDRANBT-UHFFFAOYSA-N	214.268	1.681	50	40	BDGB	
OP(OCCCl)OCCCl	101184178	GGCXLVWDCPTFMN-UHFFFAOYSA-N	206.993	1.716	50	40	BDGB	
O=C(CCl)NCCc1nc2ccccc2[nH]1	846631	VCSLTUZHPUOJIB-UHFFFAOYSA-N	237.690	1.460	50	40	BDGB	
O=C(CCl)N[C@@H]1CCOc2ccccc21	4206229	NSLMBOGOVJIBJG-SECBINFHSA-N	225.675	1.865	50	40	BDGB	in-vitro
C[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21	96336904	JTJZLAJHHYGANA-ZCFIWIBFSA-N	202.213	1.582	50	40	BDGB	
CN1CCC(=NNC(=O)Nc2ccccc2)CC1	66345806	JNFCOZFIWFWPMS-UHFFFAOYSA-N	246.314	1.890	50	40	BDGB	
CC1(C)CC(=O)[C@H]2C(CCl)=NN[C@@H]2C1	228920706	CHHSBGKQJRSGDO-HZGVNTEJSA-N	214.696	1.558	50	40	BDGB	
CC(=O)N(C)[C@H]1CC[C@H](NC(=O)CCl)CC1	252517188	BTUIUJUFZFTTFF-MGCOHNPYSA-N	246.738	1.131	50	40	BDGB	
O=S(=O)(CCBr)c1ccccc1	19788572	TXCUMOWGVFRXPD-UHFFFAOYSA-N	249.129	1.855	50	40	BDGB	
COC(=O)/C=C/N(CCCl)CCCl	1695697	UUJPHLPOKGRGEH-GORDUTHDSA-N	226.103	1.453	50	40	BDGB	
O=C(CBr)c1ncccc1F	95917872	OXCGBXKFOBWLHW-UHFFFAOYSA-N	218.025	1.798	50	40	BDGB	
C[C@H](C=NNC(N)=O)Cc1ccc2c(c1)OCO2	1547139865	GTGQHWTUTNWXPW-QMMMGPOBSA-N	249.270	1.248	50	40	BDGB	
COc1ccccc1/C(C)=N\NC(N)=O	17420282	XRBFOKZSNUJTLB-GHXNOFRVSA-N	207.233	1.088	50	40	BDGB	
COc1ccccc1/C=C(\C#N)C(=O)NC1CC1	7163975	IYNJAEHEHMTQLG-DHZHZOJOSA-N	242.278	1.881	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1cccs1	100429701	MPZLCSFODCVTFK-GFBXJKNCSA-N	202.242	1.384	50	40	BDGB	
C[C@@H]1CO[C@H]([C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3Cl)O1	254873017	ALRFFJGNNDCJFL-PXBHXSDOSA-N	232.707	1.372	50	40	BDGB	
COc1cccc(/C=C(\C#N)C(N)=O)c1OC	3086294	CNDNYMIWLXETEG-RMKNXTFCSA-N	232.239	1.096	50	40	BDGB	
CN(C)NC(=O)c1c(F)cccc1F	5677758	FRWBOSBIVVGVAT-UHFFFAOYSA-N	200.188	1.171	50	40	BDGB	
COC(=O)[C@@H](NC(=O)CCl)c1ccccc1	2548427	WUPUVHBMCLHMTR-JTQLQIEISA-N	241.674	1.256	50	40	BDGB	in-vitro
Cc1ccc(S(=O)(=O)N=C=O)cc1C	41225436	GDXVMOMJBMYCPI-UHFFFAOYSA-N	211.242	1.328	50	40	BDGB	in-vitro
CCOC(=O)C[C@@H](Br)C(C)=O	39343162	JMBHNRDFFCWPHT-ZCFIWIBFSA-N	223.066	1.292	50	40	BDGB	in-vitro
COC(=O)/C(C#N)=C\Nc1ccc(F)cc1	18202614	DBBQDUBPVIUTKY-FPLPWBNLSA-N	220.203	1.818	50	40	BDGB	
CC(C)N(C(=O)CCl)C1CCN(C)CC1	79406639	SIVCWLBVXBXJRE-UHFFFAOYSA-N	232.755	1.556	50	40	BDGB	
O=C(CBr)NC1CCSCC1	72207544	VGEFJDWPJADLKH-UHFFFAOYSA-N	238.150	1.393	50	40	BDGB	
CC1(C)CC(=O)[C@@H]2C(CCl)=NN[C@H]2C1	228920714	CHHSBGKQJRSGDO-RCOVLWMOSA-N	214.696	1.558	50	40	BDGB	
CCOc1ccc([C@H]2NC(=O)OC2=O)cc1	1772715075	ZEXNICGFYZMYLO-SECBINFHSA-N	221.212	1.393	50	40	BDGB	
O=C(NCCCl)c1ccc(F)cc1	1621651	GVQSSTGJCFQQCH-UHFFFAOYSA-N	201.628	1.794	50	40	BDGB	
C#CC(CC)(CC)N/C=C(/C#N)C(=O)OCC	100942024	NARCODAAFJNOGT-KHPPLWFESA-N	234.299	1.739	50	40	BDGB	
Cc1c(Cl)cccc1NC(=S)NNC=O	3306974	DEHYCTNNRHVNTM-UHFFFAOYSA-N	243.719	1.596	50	40	BDGB	
O=C(Cl)c1cnc(C(F)(F)F)nc1	39075717	HJZATSVHUZOCJI-UHFFFAOYSA-N	210.542	1.874	50	40	BDGB	
COC(=O)c1ccc(C(=O)CBr)o1	34411639	BUSSGMGLYDSPOV-UHFFFAOYSA-N	247.044	1.644	50	40	BDGB	
CC(C)N(C(=O)CCl)[C@H]1CCN(C)C1	79406608	IYQVDPIBAMQYFD-VIFPVBQESA-N	218.728	1.166	50	40	BDGB	
O=Cc1ccc(CBr)cn1	199793561	YHUKHVZRCOPLBC-UHFFFAOYSA-N	200.035	1.789	50	40	BDGB	
CCCn1c(CC(C)C)ccc1C(=O)NN	226022782	DEJCIMWCOVEYSD-UHFFFAOYSA-N	223.320	1.700	50	40	BDGB	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(O)C#N	97972449	IDLYALOFRASWPG-SKDRFNHKSA-N	240.303	1.708	50	40	BDGB	
O=C1N[C@H](Cc2ccc(F)cc2F)C(=O)O1	1772714727	NSAIIIDCYFWYNJ-MRVPVSSYSA-N	227.166	1.142	50	40	BDGB	
CC(/C=C\c1ccccc1)=N\NC(N)=O	17109937	XEAXZEMHSLDEEG-XTYDYKDCSA-N	203.245	1.744	50	40	BDGB	
CSC(SC)=C(C#N)S(C)(=O)=O	96198	LTRIARAIJUKETJ-UHFFFAOYSA-N	223.344	1.450	50	40	BDGB	
N#CC(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1	2775	KUXOYSZHUFZKHN-UHFFFAOYSA-N	231.167	1.437	50	40	BDGB	
CC1(C)CC(=O)C=C(NNC(=O)C2CC2)C1	331044	KKTJGIQEOSQSQT-UHFFFAOYSA-N	222.288	1.290	50	40	BDGB	
O=C(O)[C@H](Br)[C@H](O)c1ccccc1	1614501	PNZTVDQYHQRHKB-HTQZYQBOSA-N	245.072	1.568	50	40	BDGB	
C[C@H]1CN1[P@@](=O)(Nc1ncccn1)N1CC1	104247790	HMPLJIBDNSNMQE-NQGJACOUSA-N	239.219	1.016	50	40	BDGB	
CC[C@H](Oc1cccc(Cl)c1)C(=O)NN	5953875	AXUGVYXWKNLULN-VIFPVBQESA-N	228.679	1.487	50	40	BDGB	
O=C(O)[C@H](Cl)Cc1ccc([N+](=O)[O-])cc1	36204954	WORDELZJERSFDP-MRVPVSSYSA-N	229.619	1.829	50	40	BDGB	
CC(C)CN1C(=O)CCC(C=O)=C1Cl	257197957	OSVRTHNMMZYCHL-UHFFFAOYSA-N	215.680	1.914	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1ccc(N)cc1	3164895	KYSGEFODWJBPDP-JXMROGBWSA-N	216.240	1.739	50	40	BDGB	
C[P@@](=O)(CCl)CSC(=N)N	5360296	VYFBESWXWCYMJP-SECBINFHSA-N	200.631	1.760	50	40	BDGB	
COc1ccccc1CN(C)C(=O)CCl	3333982	PMTVBKHIKWPOQI-UHFFFAOYSA-N	227.691	1.892	50	40	BDGB	in-vitro
N#CC1=C2CCCN2c2ncccc2S1(=O)=O	67172880	OBENINUZIHCRGX-UHFFFAOYSA-N	247.279	1.204	50	40	BDGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2OCCC[C@H]21	226340302	VGTJSJZCANETMB-UMNHJUIQSA-N	237.255	1.356	50	40	BDGB	
Cc1nnc(NC(=O)CBr)s1	39988321	GDQGIQUOFWETBE-UHFFFAOYSA-N	236.094	1.180	50	40	BDGB	
CC[C@]12C[C@@H]3C[C@H](C1)C[C@@](C(=O)NN)(C3)C2	217478783	DONLGDYVQBVZQI-ORGJANLZSA-N	222.332	1.973	50	40	BDGB	
O=C(NNc1cnccn1)Nc1ccc(F)cc1	45031241	JDNBDUFDEAHJQP-UHFFFAOYSA-N	247.233	1.764	50	40	BDGB	
CCc1cccc2c(/C=N/NC(N)=O)c[nH]c12	3609348	DLSQPLXHWSITSC-VIZOYTHASA-N	230.271	1.733	50	40	BDGB	
Cc1[nH]c2c(C)cccc2c1CC(=O)NN	18192768	BQKOVHAKSDEHGT-UHFFFAOYSA-N	217.272	1.317	50	40	BDGB	
N#CSCC(=O)c1cccc(C#N)c1	97673671	AJWOFFYUSQQEDS-UHFFFAOYSA-N	202.238	1.955	50	40	BDGB	
Cc1ccc(C(=O)NN)cc1-n1cccc1	226244658	PRILOMFIYAZXAK-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
O=[N+]([O-])c1cccn2cc(CCl)nc12	95748887	ZFVMAKJVOBPXLN-UHFFFAOYSA-N	211.608	1.981	50	40	BDGB	
O=C1N=CN=C(C(F)(F)F)[C@@H]1Br	85346316	TUVJHEPXDUPRRY-REOHCLBHSA-N	242.982	1.322	50	40	BDGB	
CC/C(C)=N/NC(=O)[C@@H]1COc2ccccc2O1	6684316	QXSHDEPHOASYEE-IGVUGNCQSA-N	248.282	1.729	50	40	BDGB	
CC(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	7946269	VFWZJDQGLBUQMS-IZZDOVSWSA-N	221.216	1.373	50	40	BDGB	
O=C(O)[C@@H]1[C@@H]2CC3(OCCO3)[C@@H]1C[C@H]2Cl	100411704	KLBCJXDWJFIPSO-WCTZXXKLSA-N	232.663	1.078	50	40	BDGB	
N#C/C(=C1/CCCCN1)c1nnc2n1CCCC2	19932851	NAXXECPUKBATGQ-ZHACJKMWSA-N	243.314	1.623	50	40	BDGB	
O=C1N[C@H](Cc2ccc(Cl)cc2)C(=O)O1	238566895	RPSPMIWRQGVQHZ-MRVPVSSYSA-N	225.631	1.518	50	40	BDGB	
C[C@H](c1ccccc1)[C@H]1CC(=O)OC1=O	97950390	PWSNISILRLHKNE-PSASIEDQSA-N	204.225	1.880	50	40	BDGB	
CC(/C=C\c1ccccc1)=N/NC(=O)CN(C)C	17119943	IHGZNSZPOZABHV-UWAUXONXSA-N	245.326	1.754	50	40	BDGB	
O=C1NN=C(CCl)Oc2ccccc21	2562226	PZOVEWBYPULNDP-UHFFFAOYSA-N	210.620	1.361	50	40	BDGB	
O=C(O)[C@@H](Br)[C@@H](O)c1ccccc1	1614498	PNZTVDQYHQRHKB-YUMQZZPRSA-N	245.072	1.568	50	40	BDGB	
O=C(O)[C@H]1C[C@@H](Cl)[C@@H](Cl)C[C@H]1C(=O)O	4792242	BNJOWVKINLETCR-GUCUJZIJSA-N	241.070	1.397	50	40	BDGB	
O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccccn1	106215871	JOMMGSHZFUTLSY-KDHZCHSCSA-N	229.283	1.987	50	40	BDGB	
COC(=O)N1CC[C@@H]2CC=C(C#N)O[C@@H]21	4267681	YNIIXJPWGOROPD-CBAPKCEASA-N	208.217	1.229	50	40	BDGB	biogenic
BrCc1nc(C2CC2)no1	88107985	UQMYNKUUQDIXJU-UHFFFAOYSA-N	203.039	1.842	50	40	BDGB	
O=C(NNc1ccccc1)c1cnsn1	151307	NUYGNMBLKFTRCZ-UHFFFAOYSA-N	220.257	1.295	50	40	BDGB	
CCc1ccc2c(c1)/C(=N/NC(N)=O)CCC2	4768989	MPBWRUBEJRERHP-NTCAYCPXSA-N	231.299	1.958	50	40	BDGB	
CC1(C)CC(=O)C=C(NNC(=O)C(C)(C)C)C1	6392810	UHISRXADMXBHGW-UHFFFAOYSA-N	238.331	1.926	50	40	BDGB	
CC(=O)Nc1cccc(/C(C=O)=C\N(C)C)c1	71625180	SYGBYQIOMKEFPX-WQLSENKSSA-N	232.283	1.746	50	40	BDGB	
C/C(N)=C(\C#N)C(=O)COc1ccc(C#N)cc1	104751016	QNFNCTMLEDVVJY-XFXZXTDPSA-N	241.250	1.262	50	40	BDGB	
CCC(=O)OCC[N+](C)(C)CCCl	1690226	RITDYTXTUWZLGM-UHFFFAOYSA-N	208.709	1.255	50	40	BDGB	
BrCC1OCCCCCO1	6645002	JZLQYKJBDPBWEI-UHFFFAOYSA-N	209.083	1.925	50	40	BDGB	
COc1ccc([C@H]2NC[C@H](CCl)O2)cc1	20248318	YUXWKIZJLDPWOG-QWRGUYRKSA-N	227.691	1.921	50	40	BDGB	
O=C(CCl)NCCSc1ccccn1	20239974	PWYLYALCXDRXRF-UHFFFAOYSA-N	230.720	1.529	50	40	BDGB	
N#CCC(=O)N/N=C/c1ccc(N2CCCC2)o1	59138184	IFCYVDCOBQIZSU-NTEUORMPSA-N	246.270	1.244	50	40	BDGB	
CC(=O)Oc1cccc(/C=C(\C#N)C(N)=O)c1	408758733	QAJHMHCCKMTEFH-BJMVGYQFSA-N	230.223	1.004	50	40	BDGB	
CN(CC(=O)c1nccs1)C(=O)CCl	79436185	DWHGRHUESATILB-UHFFFAOYSA-N	232.692	1.023	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)c1cccc(F)c1	44563794	MKIYUVIOCOLGKQ-CSKARUKUSA-N	218.231	1.977	50	40	BDGB	
C=CCn1c(CCCC)ccc1C(=O)NN	226026955	YSRNEBGCQAIMCR-UHFFFAOYSA-N	221.304	1.620	50	40	BDGB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCl	101027489	WBCYUPGJTFWHCV-XSPKLOCKSA-N	225.675	1.032	50	40	BDGB	
C[C@@H]1Cc2ccccc2C(=C(C#N)C#N)N1	5530614	AWHXSRUOTIOLLO-SECBINFHSA-N	209.252	1.979	50	40	BDGB	
C=CCOC(=O)[C@H](Br)CC	5599217	YODSFICKWRHBKQ-ZCFIWIBFSA-N	207.067	1.889	50	40	BDGB	
O=C(N/N=C/c1ccccc1F)c1cccnc1	12341382	IUBDSMAPEIOCRW-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
N#C/C(C(N)=O)=C(/S)Nc1ccccc1	15022694	JIQJAFZGFLHONQ-NTMALXAHSA-N	219.269	1.249	50	40	BDGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCO	168127	QQEXMXQBKIYAQI-UHFFFAOYSA-N	215.256	1.446	50	40	BDGB	
CCOC(=O)CC[C@@]1(C)OC[C@H](CCl)O1	1676995	BWLBXNPVFFWRIS-WPRPVWTQSA-N	236.695	1.700	50	40	BDGB	
O=C(O)[C@@H]1[C@H]2CC3(OCCO3)[C@@H]1C[C@@H]2Cl	3860546	KLBCJXDWJFIPSO-FKSUSPILSA-N	232.663	1.078	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/C[C@H](C)N(C)C[C@@H]1C	61716193	BDKQNXZHEKKITA-DDSNRYIPSA-N	236.315	1.730	50	40	BDGB	
COC(=O)NNC(=O)/C=C/c1cccs1	1796934	UZZZNAGBHJBRCR-SNAWJCMRSA-N	226.257	1.149	50	40	BDGB	
CN(C[C@@H]1CCCN(C(=O)CCl)C1)C1CC1	79419232	QWADKQMLXRPETL-JTQLQIEISA-N	244.766	1.558	50	40	BDGB	
O=C(CCl)Nc1cnc(Cl)nc1	85367377	KJNBZDQBGKYIOV-UHFFFAOYSA-N	206.032	1.307	50	40	BDGB	
CN(C1CC1)[C@H]1CC[C@H](NC(=O)CCl)CC1	252517152	AZVACEOZKREDDE-MGCOHNPYSA-N	244.766	1.747	50	40	BDGB	
ClCCN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	1689485	UIPUARKPNVOVFC-FIRGSJFUSA-N	201.697	1.334	50	40	BDGB	
O=C(CCl)NC(=O)NCCc1cccs1	4218695	MIVYNGIMCBDYLN-UHFFFAOYSA-N	246.719	1.355	50	40	BDGB	
OC[C@H](I)C(F)(F)F	1565659610	WUJMRXQNKCDSGE-REOHCLBHSA-N	239.962	1.345	50	40	BDGB	
CCN(CC)c1ccc(/C=C(\C#N)C(N)=O)cc1	4418087	GFNPPAJYGGOHQN-FMIVXFBMSA-N	243.310	1.925	50	40	BDGB	
CCCCOc1ccc(C(=O)NN)cc1OC	3298532	LKTFHRYMTHSIOZ-UHFFFAOYSA-N	238.287	1.478	50	40	BDGB	
ClC(Cl)C1OCCOCCO1	1738568	HRXDFJLHXSKSTI-UHFFFAOYSA-N	201.049	1.180	50	40	BDGB	
O=C1[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCl	100714030	WBCYUPGJTFWHCV-FNCVBFRFSA-N	225.675	1.032	50	40	BDGB	
CC[C@H](C)n1c(C)cc(C(=O)NN)c1C	223697005	RYQQQGGLMQRXIS-ZETCQYMHSA-N	209.293	1.679	50	40	BDGB	
NNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1	223456002	CEJQPQFMCXEBRX-UHFFFAOYSA-N	248.673	1.401	50	40	BDGB	
Nc1nc2c(s1)C(=O)[C@H](Br)CC2	95698595	PHFIWBGTVLJDDJ-GSVOUGTGSA-N	247.117	1.618	50	40	BDGB	in-vitro
OB(O)[C@@H]1C=CC(OC(F)(F)F)=CC1	219785440	CWHVPRDEVBTPSF-RXMQYKEDSA-N	207.944	1.210	50	40	BDGB	
CC(=O)OC(/C=C/c1ccccc1)=N/NC(N)=O	4266467	FTSISXQSWDORNE-DQBULIGTSA-N	247.254	1.245	50	40	BDGB	
C/C(=N\C(=O)NN)c1ccc(Cl)cc1	17021757	AIYQGGZBJJHOTP-WUXMJOGZSA-N	211.652	1.732	50	40	BDGB	
CC(C)c1cc(Br)ccc1B(O)O	169995311	JMDSLHWHAKEZFU-UHFFFAOYSA-N	242.909	1.252	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1Cc1ccccc1	223699210	VSYKBFXJNDIASO-UHFFFAOYSA-N	243.310	1.757	50	40	BDGB	
COC(=O)c1ccc[n+](CBr)c1	369924	SGYIXYIIEPEJRJ-UHFFFAOYSA-N	231.069	1.113	50	40	BDGB	
C/C(=N/NC(N)=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[C@@H]3[C@@H]2Cl	104073186	YABHNBJBEIKGSH-YHNDLSHYSA-N	227.695	1.150	50	40	BDGB	
CC1(C)CC(=O)[C@H](N=C=O)[C@](C)(N=C=O)C1	59214394	KGGLJOZZTDIYAE-GXSJLCMTSA-N	222.244	1.174	50	40	BDGB	
CCCCNP(=O)(N1C[C@H]1C)N1C[C@H]1C	301054437	MNJWJJQISCMYRF-JDTMCGPASA-N	231.280	1.892	50	40	BDGB	
O=C(CBr)c1ncccc1O	33358739	SBUBYNWVPDZMNC-UHFFFAOYSA-N	216.034	1.365	50	40	BDGB	
CC(C)(/C=N\NC(N)=O)c1ccccc1	17315688	OBAAAHLEOLISQZ-JYRVWZFOSA-N	205.261	1.618	50	40	BDGB	
COc1ccc(/C(C)=N/NC(=O)C2CC2)cc1	4535116	VMALCGMTSGWLKL-NTEUORMPSA-N	232.283	1.945	50	40	BDGB	
NNC(=O)CCSCc1ccc(Cl)cc1	16972965	LLNFKUJTUPDFFG-UHFFFAOYSA-N	244.747	1.953	50	40	BDGB	
NC(=O)c1ccccc1NC(=O)CCCCl	1654188	XUECEJHFMWTVNG-UHFFFAOYSA-N	240.690	1.743	50	40	BDGB	
COc1ccc(CCCC(=O)NN)cc1C	226101	CXSWRMCFTZDBHJ-UHFFFAOYSA-N	222.288	1.316	50	40	BDGB	
COC(=O)CCCc1nc(CCl)no1	62152013	MVVGZRZYAFESEN-UHFFFAOYSA-N	218.640	1.304	50	40	BDGB	in-vitro
C[C@H](Nc1nc2ccccc2s1)C(=O)NN	4218362	WYZLLODOOQMZBX-LURJTMIESA-N	236.300	1.087	50	40	BDGB	in-vitro
O=C(Br)[C@H](F)C(F)(F)F	16125632	ROEJWJRJEMOALT-SFOWXEAESA-N	208.936	1.808	50	40	BDGB	
O=C(CCCl)NCCCn1ccnc1	2766273	VUUSDOFDVYUQGP-UHFFFAOYSA-N	215.684	1.018	50	40	BDGB	
CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)OC	4523866	KIJFHZRXZBDISU-XNYAHFKXSA-N	230.264	1.308	50	40	BDGB	
Cc1cc(C(=O)NN)ccc1-n1cccc1	226244674	LVNIRXYCYMDVQN-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
COC(=O)c1ccc(NC(=O)CCl)c(O)c1	83372054	ZDTGFBJKSPUIKO-UHFFFAOYSA-N	243.646	1.356	50	40	BDGB	
O=C(Cl)c1ncc(Br)cn1	95836276	QFJXIZSCUJULGX-UHFFFAOYSA-N	221.441	1.618	50	40	BDGB	
C[C@@H](Cl)C(=O)NCC(=O)C(C)(C)C	238422900	MVEIVBZYRNBCML-ZCFIWIBFSA-N	205.685	1.345	50	40	BDGB	
COC1[C@@H](OC)CC(C(=O)Cl)C[C@H]1OC	13407338	CTUAUKULOYQIOE-VGKQMMLZSA-N	236.695	1.207	50	40	BDGB	
COC(=O)[C@@](Cl)(Br)CCl	2046411	VLOFZLUZKNKBBZ-SCSAIBSYSA-N	235.892	1.728	50	40	BDGB	
CC(C)=CC(=O)NNc1nc(C)cc(C)n1	69451976	HMLNFHSDVBDGFK-UHFFFAOYSA-N	220.276	1.503	50	40	BDGB	
O=C(N/N=C\c1cccnc1)c1cccnc1	32109682	UPHZOSQZSJURSS-NVNXTCNLSA-N	226.239	1.241	50	40	BDGB	
CO[Si](CCCn1ccnc1)(OC)OC	195751418	LLIFKTIQXYJAHL-UHFFFAOYSA-N	230.340	1.151	50	40	BDGB	
CC(C)(/C=N/NC(N)=O)c1ccccc1	1688889	OBAAAHLEOLISQZ-MDWZMJQESA-N	205.261	1.618	50	40	BDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)[N+](=O)[O-]	1697480	IZHPSIHVHGAAOM-HWKANZROSA-N	209.117	1.329	50	40	BDGB	
N#CC(C#N)=Cc1cc(C=C(C#N)C#N)c(O)o1	51962	VBTKMKZILVFLIO-UHFFFAOYSA-N	236.190	1.846	50	40	BDGB	
CC(C)NCC(=O)CCCBr	1598623	BEGSORHCXUUUPR-UHFFFAOYSA-N	222.126	1.729	50	40	BDGB	
O=C(NNC(=O)C1CCCC1)c1ccccc1	6270559	ZNNOFZGTYSFHJW-UHFFFAOYSA-N	232.283	1.638	50	40	BDGB	
Cc1ccn2cc(CNC(=O)CCl)nc2c1	107512469	NIMMZAPNWAYKGZ-UHFFFAOYSA-N	237.690	1.498	50	40	BDGB	
C[C@@H](C=NNC(N)=O)Cc1ccc2c(c1)OCO2	1547139864	GTGQHWTUTNWXPW-MRVPVSSYSA-N	249.270	1.248	50	40	BDGB	
O=S1(=O)[C@@H]2CCC[C@@H]1[C@@H](Cl)CC2	100364402	GBAMSMWXHXGKBX-GJMOJQLCSA-N	208.710	1.724	50	40	BDGB	
Cc1cc(C(=O)CBr)no1	21982271	GSMCZRMXOTVCGF-UHFFFAOYSA-N	204.023	1.561	50	40	BDGB	
OB(O)c1cc2cc(C(F)(F)F)ccc2s1	309414607	ZRWIBOULEXTWBN-UHFFFAOYSA-N	246.018	1.600	50	40	BDGB	
NNC(=O)c1ccc(CBr)cc1	3848710	ZGOROAWVRUSDDV-UHFFFAOYSA-N	229.077	1.185	50	40	BDGB	biogenic
O=C(/C=C/c1ccsc1)NNc1ncccn1	44716246	PCTRZMPKQMATGY-NSCUHMNNSA-N	246.295	1.695	50	40	BDGB	
C#CCOc1ccccc1/C=C(\C#N)C(N)=O	5067988	HDGMFEAISDCSDX-DHZHZOJOSA-N	226.235	1.091	50	40	BDGB	
CCOC(=O)/C(C#N)=C1\C=CC=CN1C	1514932	DLQHGVCURBYOTM-MDZDMXLPSA-N	204.229	1.342	50	40	BDGB	
C[C@@H](Br)[C@@H](NN)c1ccccc1	199539418	ZJCPBALQKHRVFL-VXNVDRBHSA-N	229.121	1.974	50	40	BDGB	
COC(=O)[C@@H]1C[C@H]2C[C@H]1C(=O)[C@@H]2Br	242718350	XKWLNOVDLCIPOC-DBRKOABJSA-N	247.088	1.148	50	40	BDGB	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CCl	2661404	RZMQRXRWKFLFEN-YUMQZZPRSA-N	232.711	1.630	50	40	BDGB	
CCN(C(=O)CCl)[C@H]1CCCN(C)C1	79406549	FNXBMBQFCGEHMF-VIFPVBQESA-N	218.728	1.168	50	40	BDGB	
COc1ccc2c(C(=O)Cl)n[nH]c2c1	199564846	DKDIOFVGIPSSJE-UHFFFAOYSA-N	210.620	1.951	50	40	BDGB	
OB(O)c1ccc(Oc2ccccc2)c(Cl)c1	642814626	NSOSFUNFMWAGPQ-UHFFFAOYSA-N	248.474	1.812	50	40	BDGB	
N#CC(C#N)=C1CN=C(N2CCCCC2)S1	16138037	PRNNXBKDCSKRBI-UHFFFAOYSA-N	232.312	1.876	50	40	BDGB	
NNC(=O)c1ccc(-c2ccccc2)o1	4575875	PNAMUPSIUDZXKP-UHFFFAOYSA-N	202.213	1.550	50	40	BDGB	
CC(C)/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	4766724	YFJXSUVXNXISLY-MDWZMJQESA-N	249.270	1.895	50	40	BDGB	
CCCC[C@@H](NC(=O)C(Cl)Cl)C(=O)O	6592811	XUZKQHYCZAQASQ-RXMQYKEDSA-N	242.102	1.550	50	40	BDGB	
CC(=O)CN1c2ccccc2[C@H](Cl)[C@@H]1C=O	9096347	VKQCIGDZSLAMBT-RYUDHWBXSA-N	237.686	1.943	50	40	BDGB	
NNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2631676	RZKRLNOTPUDJMO-UHFFFAOYSA-N	247.210	1.458	50	40	BDGB	
COc1ccc(C(C)(C)C)cc1C(=O)NN	57339228	RDEHJTABGQPXSZ-UHFFFAOYSA-N	222.288	1.596	50	40	BDGB	
O=C(CCl)N1CCO[C@H]2CCCC[C@H]21	37654184	UVKJCEYCJSFAEU-BDAKNGLRSA-N	217.696	1.395	50	40	BDGB	in-vitro
CC(C)(C)OC(=O)NN=C1CCOCC1	95496326	QOEHTHNPTMRRLP-UHFFFAOYSA-N	214.265	1.678	50	40	BDGB	in-vitro
CCO[Si]CC([Si]OCC)[Si]OCC	199863292	LTQQIONDKICJOZ-UHFFFAOYSA-N	246.487	1.118	50	40	BDGB	
N#CCN(Cc1ccccc1)C(=O)CCl	38100645	DSUIZOYETCONKN-UHFFFAOYSA-N	222.675	1.778	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc(O)cc1	149316	SSJMWLROUBFBOB-RMKNXTFCSA-N	203.197	1.472	50	40	BDGB	biogenic
CCOC(=O)c1cc(/C=C\C=O)oc1N	17020309	NTINSOYJHXWVIL-ARJAWSKDSA-N	209.201	1.251	50	40	BDGB	
CCN1C(=O)C(=C(C#N)C#N)c2ccccc21	558719	QUCQPZWTOLNANI-UHFFFAOYSA-N	223.235	1.854	50	40	BDGB	
C/C=N/NC(=O)c1cccc(C(=O)N/N=C/C)c1	4855148	JQAZRVCMLZQTGZ-NPJRDEIVSA-N	246.270	1.158	50	40	BDGB	
CC[C@@]12C[C@H](OC1=O)[C@H](Br)C2	104147075	VHORWKDEFXZKPP-GKROBHDKSA-N	219.078	1.866	50	40	BDGB	
COC(=O)N/N=C(\C)c1ccccc1OC	5415297	BCTQYSBSYQJZDX-XYOKQWHBSA-N	222.244	1.775	50	40	BDGB	
CC(C)N(C)[C@H]1CCCN(C(=O)CCl)C1	79419146	ISZDHOCTLDNAGB-JTQLQIEISA-N	232.755	1.556	50	40	BDGB	
Cc1ccc(C)c(-n2cccc2C(=O)NN)c1	223724000	JAJPEVFHPCWKJM-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
O[C@H](CCl)CI	85903766	NNKLXTNMYBPXIB-GSVOUGTGSA-N	220.437	1.021	50	40	BDGB	
Cc1c2ccccc2nc(CSC#N)[n+]1[O-]	1682172	HODITGRKQBVCSQ-UHFFFAOYSA-N	231.280	1.891	50	40	BDGB	
O=C(CCl)NCCCN1CCCCCC1=O	68583502	ZQDIXVGLMKCZKU-UHFFFAOYSA-N	246.738	1.134	50	40	BDGB	in-vitro
CC1=CC(O)=C(C#N)C(C)(C)[C@]1(C#N)C(=O)O	31688702	DRHJHIYBYUIVTQ-LBPRGKRZSA-N	232.239	1.903	50	40	BDGB	
COc1cccc(/C=C(/C#N)C(=O)N(C)C)c1	42751990	HOSWKZRGMFGDNG-XFFZJAGNSA-N	230.267	1.690	50	40	BDGB	
CC(=O)N/N=C/c1ccc(OCC#N)cc1	8079500	KEIQOYUPBYZOII-MDWZMJQESA-N	217.228	1.059	50	40	BDGB	
O=C1O[C@@H]2C[C@H]1CC[C@@H]2Br	5179578	HIEDNXSBEYNHJB-NGJCXOISSA-N	205.051	1.475	50	40	BDGB	
CN(N=O)C(=O)Nc1ccc(C(=O)O)cc1	5541909	LUAOYJDDQIIDIN-UHFFFAOYSA-N	223.188	1.530	50	40	BDGB	
CC(C)(O)C(=O)N/N=C/c1ccc(Cl)s1	32578409	FSBUTRJFEDNRQI-VZUCSPMQSA-N	246.719	1.623	50	40	BDGB	
ClCCN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	104063132	UIPUARKPNVOVFC-AXTSPUMRSA-N	201.697	1.334	50	40	BDGB	
O=P(Nc1ccccn1)(N1CC1)N1CC1	73242971	VNKQXJJJVFNSIV-UHFFFAOYSA-N	224.204	1.233	50	40	BDGB	
C[C@@H](c1nccs1)N(C)C(=O)CCl	79436209	RLQBYOQCWQGQAQ-LURJTMIESA-N	218.709	1.901	50	40	BDGB	
C[C@@H]1CCCN(S(=O)(=O)CCl)C1	82511970	NPFWEORWEZMNLH-SSDOTTSWSA-N	211.714	1.244	50	40	BDGB	
CCOCc1cc(=O)[nH]c([C@H](C)Cl)n1	95093987	BGDJOGGTFMFZOZ-LURJTMIESA-N	216.668	1.606	50	40	BDGB	
N#C/C(=C\c1ccc(N)cc1)C(=O)N1CCCC1	32627492	BFDIRDPWKPACKI-FMIVXFBMSA-N	241.294	1.798	50	40	BDGB	in-vitro
COC[C@H]1CCCN(C(=O)CCl)C1	59820812	OJMZIDMISUVNMH-QMMMGPOBSA-N	205.685	1.110	50	40	BDGB	
CN(C)C(=O)c1cccc(NC(=O)CCl)c1	12505724	CAPONPDCOFTECB-UHFFFAOYSA-N	240.690	1.566	50	40	BDGB	in-vitro
COc1cc(/C=N/NC(=O)CCl)ccc1O	64864515	MBZVTIOFRUHYGD-WUXMJOGZSA-N	242.662	1.090	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2N)o1	175085	YLGASCHQDZGRGK-OVCLIPMQSA-N	243.266	1.934	50	40	BDGB	
CCCCCC/C(=N\NC(N)=O)C(OC)OC	17322709	LQSOXLVDGWRMBM-UKTHLTGXSA-N	245.323	1.600	50	40	BDGB	
O=C(CCl)Nc1nccc(-c2ccco2)n1	2552547	JHQJHELKQYOXSN-UHFFFAOYSA-N	237.646	1.914	50	40	BDGB	
Br[C@@H]1CC[C@@H](Br)NC1	100057977	HCTZZEWTUFVJMV-UHNVWZDZSA-N	242.942	1.854	50	40	BDGB	
O=C(CCl)NC(=O)c1cccs1	3416034	SEVMTELZHRDRSP-UHFFFAOYSA-N	203.650	1.243	50	40	BDGB	in-vitro
COc1ccc(/C=C(/C#N)C(=O)O)cc1C#N	78870076	JKOYDKSZIYWZPP-YHYXMXQVSA-N	228.207	1.558	50	40	BDGB	
CC[C@@](C)(C(=O)NN)N1CCCC[C@@H]1C	22123735	VKQWNKWYYQMFSC-ONGXEEELSA-N	213.325	1.019	50	40	BDGB	
O=C1N[C@H](c2ccccc2Cl)C(=O)O1	1772714753	QNRFCTBXSLWGDB-SSDOTTSWSA-N	211.604	1.648	50	40	BDGB	
NC(=O)NNC(=S)Nc1ccc(Cl)cc1	9189527	XDFRORMTBNWFTA-UHFFFAOYSA-N	244.707	1.210	50	40	BDGB	
C/C(=N\NC(=O)C[n+]1ccccc1C)C1CC1	5548902	VUWGCACUKTZVFS-SDNWHVSQSA-O	232.307	1.185	50	40	BDGB	
O=C(CCl)Nc1cc(F)ccc1[N+](=O)[O-]	3887483	ZQRQCVIMORKXCT-UHFFFAOYSA-N	232.598	1.911	50	40	BDGB	
COc1ccc2nc(C)c(C(=O)NN)cc2c1	268732	FIBNRQLTJHSITF-UHFFFAOYSA-N	231.255	1.155	50	40	BDGB	
CC(=O)OC(=O)[C@H](N)Cc1ccc(Cl)cc1	100497395	GDDXBPKFXVQRNU-SNVBAGLBSA-N	241.674	1.300	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(C)o2)o1	9028421	IRUVQSCYIGDXII-UHFFFAOYSA-N	248.238	1.564	50	40	BDGB	
C[C@@H](Cl)C(=O)NC[C@H]1CCCS1	87668031	MSEMYNPDVDDYNS-RNFRBKRXSA-N	207.726	1.626	50	40	BDGB	
Cn1cccc1/C=N\NC(=O)c1ccccc1O	33281463	MFJXYIAEFZJHHB-ZROIWOOFSA-N	243.266	1.495	50	40	BDGB	
CC(C)N(C)[C@@H]1CCN(C(=O)CCl)C1	79419119	VKNKXPWNONYFMY-SECBINFHSA-N	218.728	1.166	50	40	BDGB	
COc1cc(/C=N/NC(N)=O)c(Cl)cc1O	36617152	KVCGUSTVCPTIPU-UUILKARUSA-N	243.650	1.056	50	40	BDGB	
O=[N+]([O-])c1ncccc1CBr	95642079	OQMKZWDHHRRWNF-UHFFFAOYSA-N	217.022	1.885	50	40	BDGB	
O=C(N/N=C/c1ccc(O)cc1)[C@H]1CCCO1	1740132	YJJLMBUKLXDVHG-KAQJVSAMSA-N	234.255	1.021	50	40	BDGB	
CN(C)NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C	16739559	ZOWUKHDWXBXXHT-QWHCGFSZSA-N	238.331	1.365	50	40	BDGB	
COCC1CCN(C(=O)CCl)CC1	69631916	DGPJMKGQBOMPEE-UHFFFAOYSA-N	205.685	1.110	50	40	BDGB	
O=C(NNC(=O)c1ccco1)c1ccsc1	13004439	TVEYLHGCPPSDIH-UHFFFAOYSA-N	236.252	1.416	50	40	BDGB	
CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CCl	79416977	QGMZGDWLBVHOKQ-JTQLQIEISA-N	246.738	1.085	50	40	BDGB	
[C-]#[N+][C@@]1(C(=O)OC)Cc2ccc(OC)cc2C1	575419805	ZNNNRGQZEDDNFI-ZDUSSCGKSA-N	231.251	1.625	50	40	BDGB	
CCC/C(=N\NC(N)=O)c1ccc(C)nc1	16952450	HSFYHSVWAIBMKE-GXDHUFHOSA-N	220.276	1.563	50	40	BDGB	
O=C(CCl)NCC1CCSCC1	68590635	LWLPKEFQRSDKDI-UHFFFAOYSA-N	207.726	1.485	50	40	BDGB	
CN(C)c1ccc(/C=N\NC(=O)CC#N)cc1	29763938	RWGFQNBYOYUCIU-ZROIWOOFSA-N	230.271	1.116	50	40	BDGB	
Nc1ccc(C(=O)NN=C2CCCC2)cc1	493192	FABYPXIXEDJGAK-UHFFFAOYSA-N	217.272	1.929	50	40	BDGB	
CCCCC[C@@H](O)C[C@@H](CC)C(=O)NN	2227596	DZQOUXPZELJEIX-NXEZZACHSA-N	216.325	1.334	50	40	BDGB	
BrCc1nc(Br)no1	85210728	TWKMZSDPRBTXPI-UHFFFAOYSA-N	241.870	1.727	50	40	BDGB	in-vitro
Cc1cc(C)nc(N2C[C@H](CCl)OC2=N)n1	40175498	FAZGQISVNAFQLT-QMMMGPOBSA-N	240.694	1.472	50	40	BDGB	
C[C@@H]1CN(CCBr)C[C@@H](C)O1	40989706	FZUMZQZVVFIUOM-HTQZYQBOSA-N	222.126	1.491	50	40	BDGB	
O=C(CBr)c1ccnc(Cl)n1	98178565	DUFKTFHLKPNRCC-UHFFFAOYSA-N	235.468	1.708	50	40	BDGB	
COc1cc(SC#N)c(O)c(C(=O)O)c1	57339851	BPHXLHWUAWWMDQ-UHFFFAOYSA-N	225.225	1.672	50	40	BDGB	
NC(=O)N/N=C\c1ccc(Cl)cc1Cl	31984027	AZDUIBWEJAGLLG-QCDXTXTGSA-N	232.070	1.996	50	40	BDGB	
Cc1ncc(CBr)c(N)n1	1683291	QWNONVPLJDGJQR-UHFFFAOYSA-N	202.055	1.262	50	40	BDGB	in-vitro
O=C(O)[C@@H]1CC[C@H](C(=O)O)SS1	4722707	NQRRVGBUZRSXRF-ZXZARUISSA-N	208.260	1.068	50	40	BDGB	
Cc1cc(CCl)cnc1N1CCOCC1	72222502	KWUYDZAEJCVRHP-UHFFFAOYSA-N	226.707	1.965	50	40	BDGB	
C[C@H](Br)C(=O)N1C2CCC1CC2	225816292	GKYIPRWSJHWARZ-KKMMWDRVSA-N	232.121	1.923	50	40	BDGB	
CC1([N+](=O)[O-])COP(=O)(Cl)OC1	100169494	MIDKMKIAHRBFOY-UHFFFAOYSA-N	215.529	1.416	50	40	BDGB	
Cc1cc2c(c(=O)o1)[C@@H](C(C)C)C(C#N)=C(N)O2	488781	LQVIEQQCGZUCFR-JTQLQIEISA-N	246.266	1.774	50	40	BDGB	
CC(C)NC(=O)NNc1ccc(Cl)nn1	33941918	RHPBQEAWBCCFNU-UHFFFAOYSA-N	229.671	1.165	50	40	BDGB	
C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)NN	16846949	AUVJLWJIKNQANI-YFKPBYRVSA-N	248.113	1.784	50	40	BDGB	
COc1cc([N+](=O)[O-])cc(/C=C/C=O)c1O	40546480	ZKMQHONZZKXZIH-NSCUHMNNSA-N	223.184	1.521	50	40	BDGB	
O=C1OC(=O)C2=C1Cc1cc3c(cc1C2)CC3	68568743	OHRDOLAIKCIPKA-UHFFFAOYSA-N	226.231	1.264	50	40	BDGB	
CC(C)(C)OC(=O)N[C@H](CO)CCl	39093431	UVUHZZFYJGGEFI-LURJTMIESA-N	209.673	1.111	50	40	BDGB	
N#C/C(=C/c1ccc(O)cc1)C(N)=S	137886	IUXXGYNXYSCATI-YVMONPNESA-N	204.254	1.585	50	40	BDGB	
CC1(CCl)C(C#N)(C#N)C1(C#N)C#N	3121778	XCZQSWSWMCLAQZ-UHFFFAOYSA-N	204.620	1.312	50	40	BDGB	
CCC(C)(C)c1ccc(OCC(=O)NN)cc1	2534317	LVAOGYDBLXUOLP-UHFFFAOYSA-N	236.315	1.743	50	40	BDGB	
CCN(C(C)=O)c1nc(C=C(C#N)C#N)cs1	22747886	SEGASDYFPXLGFY-UHFFFAOYSA-N	246.295	1.946	50	40	BDGB	
O=C1CC(c2ccc(F)cc2)CC(=O)O1	100494491	BZPVATHCQGARAN-UHFFFAOYSA-N	208.188	1.773	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(Cc2cccnc2)C1	32026981	XAAQAPGVKPYJHI-SECBINFHSA-N	238.674	1.196	50	40	BDGB	
CCN(C(=O)CCl)c1cccc(O)c1	199758580	XMCOAUJTDKIQIW-UHFFFAOYSA-N	213.664	1.984	50	40	BDGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(N)=O)C2	100045287	QCEFOIDJHJPYIB-GHWLPVGLSA-N	209.293	1.857	50	40	BDGB	
CO[Si](OC)(OC)[C@@H]1CC[C@@H]2O[C@@H]2C1	195766626	ZQDWUJIBGXKPDZ-HRDYMLBCSA-N	218.325	1.186	50	40	BDGB	
NNC(=O)[C@]1(c2cccnc2)CCCCS1	72220172	LZHKVNCBTXSVIJ-LLVKDONJSA-N	237.328	1.184	50	40	BDGB	
NNC(=O)c1ccc2c(c1)-c1ccccc1C2	226305255	MLCNHRTWKUEXQX-UHFFFAOYSA-N	224.263	1.861	50	40	BDGB	
O=C=NCCNC(=O)OCc1ccccc1	95763585	WMSDXIKZDRBKSG-UHFFFAOYSA-N	220.228	1.249	50	40	BDGB	
CCOC1=NCCC[C@@H]1Br	238255200	FDWXZEVRFCDZRU-LURJTMIESA-N	206.083	1.979	50	40	BDGB	
CCOC(OCC)[C@@H](C=O)CBr	82048808	SKCXVXRCRRNZPL-SSDOTTSWSA-N	239.109	1.596	50	40	BDGB	in-vitro
Cc1nccn1CC(=O)NN=Cc1ccccc1	2240358	AVHFUJVAKAOVPA-UHFFFAOYSA-N	242.282	1.342	50	40	BDGB	
Cc1nccn1CC(=O)N/N=C/c1ccccc1	520748	AVHFUJVAKAOVPA-OQLLNIDSSA-N	242.282	1.342	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H](CCCC3)[C@@H]12	104238573	URCPRWSOPFAFOE-UTINFBMNSA-N	206.241	1.678	50	40	BDGB	
O=C(CBr)c1cnc2ccccn12	34726175	QGFGDFNPKLHQRE-UHFFFAOYSA-N	239.072	1.912	50	40	BDGB	
BrCc1n[nH]c2c1COCC2	72209766	NDGDCMSLGPYPPK-UHFFFAOYSA-N	217.066	1.377	50	40	BDGB	
COCc1ccc(/C=C(/C#N)C(=O)O)cc1	83969384	DCRCKOHNCDYBOB-WDZFZDKYSA-N	217.224	1.825	50	40	BDGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@H]3O[C@@H]3C2)O1	254380794	NBDKOJSGJIGOBM-IGORNWKESA-N	218.680	1.534	50	40	BDGB	
C[C@H]1CCC[C@@H](NC(=O)NC(=O)CCl)[C@@H]1C	3887965	HMBFDDSLYMRBIX-DJLDLDEBSA-N	246.738	1.876	50	40	BDGB	
NC(=O)c1cc(C(Cl)Cl)ccn1	1587429	VFPYVRYXQFUSJJ-UHFFFAOYSA-N	205.044	1.657	50	40	BDGB	biogenic
O=C(OCCBr)C(F)F	238520151	AENYKXNNXVKOHG-UHFFFAOYSA-N	202.982	1.190	50	40	BDGB	
Cc1nccn1CC(=O)N/N=C\c1cccs1	13108990	IRAADEQIXIPZBA-QPEQYQDCSA-N	248.311	1.403	50	40	BDGB	
ClCC[N+]12CC[N+](CCCl)(CC1)C2	19318692	MOWWNCUQNURBRK-UHFFFAOYSA-N	225.163	1.082	50	40	BDGB	in-vitro
CC(C)OC(=O)OCI	34752826	DHEPIQOGGUAJGR-UHFFFAOYSA-N	244.028	1.941	50	40	BDGB	
C=C(C#N)[C@H](O)c1cccc([N+](=O)[O-])c1	20064323	QWFADYMZFDPSSG-JTQLQIEISA-N	204.185	1.708	50	40	BDGB	
COc1ccc2oc(C)c(C(=O)NN)c2c1	380819	SPJZZHDHTDVXNA-UHFFFAOYSA-N	220.228	1.353	50	40	BDGB	
O=Cc1ccccc1C(=O)OCCCl	1689277	KLPDQSUUYUEJBW-UHFFFAOYSA-N	212.632	1.895	50	40	BDGB	
CCOC(=O)[C@@H](I)CC	2033773	BEKQSWCOHDSDPD-YFKPBYRVSA-N	242.056	1.763	50	40	BDGB	
CCSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	4905956	ZKGPBQJXEZYPEG-ZETCQYMHSA-N	235.312	1.770	50	40	BDGB	
N#C[C@H](NC(=O)NCCCl)c1ccccc1	6575695	OOFLZNYWYLBUQX-JTQLQIEISA-N	237.690	1.789	50	40	BDGB	
CO/C(N)=C(C#N)\N=C\c1cccs1	104314213	VBRVHHPCSYPPGE-HQBPLYTQSA-N	207.258	1.465	50	40	BDGB	
CC(=O)NN(C/C=C\Cl)C/C=C/Cl	8618926	DZPCAYHHIHMLNR-VOERYJCWSA-N	223.103	1.845	50	40	BDGB	
COC(=O)N/N=C(\C)c1ccc(OC)cc1O	105329435	UBTJLDGPGKAEQL-KPKJPENVSA-N	238.243	1.481	50	40	BDGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]1[C@H]2C3	100494804	ZFCNOHNDCYYXIK-GKHCUFPYSA-N	217.062	1.331	50	40	BDGB	
CC1(CC(=O)N/N=C/c2ccccc2)OCCO1	5415356	MEXXHUBGFBTODT-GXDHUFHOSA-N	248.282	1.290	50	40	BDGB	
CN1CCC[C@H]1CN(C(=O)CCl)C1CC1	79406706	SLECDXAVGGVIQF-JTQLQIEISA-N	230.739	1.310	50	40	BDGB	
Cc1cc(C(=O)NN)cn1-c1ccccc1	223750843	STOLHSMRKSFDJJ-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	96838756	YGBVHIMSHVQXRW-YHYXMXQVSA-N	244.250	1.410	50	40	BDGB	
C[C@@H]1C[C@H](NNC(=O)OC(C)(C)C)CCO1	95347627	ZHXQHAOHWHLGSX-RKDXNWHRSA-N	230.308	1.583	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@H](c4ccccc43)[C@@H]12	104046518	RIMNTCALPSPSGT-LMLFDSFASA-N	214.220	1.587	50	40	BDGB	
NC(=O)CCc1ccc(C(=O)CCl)cc1	68592409	YKZSIQPTBGKAHA-UHFFFAOYSA-N	225.675	1.526	50	40	BDGB	in-vitro
Nc1nc2c(s1)C(=O)[C@@H](Br)CC2	95698594	PHFIWBGTVLJDDJ-VKHMYHEASA-N	247.117	1.618	50	40	BDGB	in-vitro
CN(C1CCC(NC(=O)CCl)CC1)C1CC1	79419249	AZVACEOZKREDDE-UHFFFAOYSA-N	244.766	1.747	50	40	BDGB	
N#C/C(=C\c1c[nH]c2ncccc12)C(=O)O	221076188	IMEHUMZPWCZRPG-QPJJXVBHSA-N	213.196	1.554	50	40	BDGB	
COc1ccc([C@@H]2NC(=O)OC2=O)cc1	238367965	SPBXQRHYPGDBRM-QMMMGPOBSA-N	207.185	1.003	50	40	BDGB	
NN(Cc1c[nH]c2ccccc12)C(=O)O	200414633	QHOLOCJQXHNCHF-UHFFFAOYSA-N	205.217	1.522	50	40	BDGB	
C[C@H]1CC[C@H](C)N1P(=O)(N1CC1)N1CC1	100254722	FFYJIUCYVAVIKE-UWVGGRQHSA-N	229.264	1.599	50	40	BDGB	
Cc1nc(C(=O)NN)c(-c2ccccc2)s1	533975	ZSVWXAGRMNHPHM-UHFFFAOYSA-N	233.296	1.722	50	40	BDGB	
C[C@@H]1C/C(=N\NC(N)=O)[C@@H]2C[C@@H]1C2(C)C	100708872	USMSEBRNTOAJAR-LLUMQASMSA-N	209.293	1.713	50	40	BDGB	
C/C=C/C=N/NC(=O)c1cccc(OC)c1	2102059	BDXQDAAULWSOJQ-JRWPLQFESA-N	218.256	1.987	50	40	BDGB	
COC(=O)N/N=C(/Cc1ccccc1)CN(C)C	31840781	RHTJBYIJNAKLDY-OWBHPGMISA-N	249.314	1.503	50	40	BDGB	
C[C@]1(CCl)CN(CC(F)(F)F)C1=O	1535644816	QFHJISDFFOXUTR-LURJTMIESA-N	215.602	1.636	50	40	BDGB	
O=C(NNc1ccccc1)c1cccnc1	70716876	WYDSOFOSJBZSPG-UHFFFAOYSA-N	213.240	1.839	50	40	BDGB	
CC[C@@H](C)n1c(C)cc(C(=O)NN)c1C	223696948	RYQQQGGLMQRXIS-SSDOTTSWSA-N	209.293	1.679	50	40	BDGB	
CCOc1ccc(-n2cccc2C(=O)NN)cc1	223737189	UOEDPGOQAGDZGD-UHFFFAOYSA-N	245.282	1.480	50	40	BDGB	
NNC(=O)c1ccc(F)cc1C(F)(F)F	16158286	VUPHSCQIGGYDKA-UHFFFAOYSA-N	222.141	1.448	50	40	BDGB	
COC(=O)[C@@H](N=C=O)c1ccc(F)cc1	16158555	XNVXRNJSAZPBRY-VIFPVBQESA-N	209.176	1.376	50	40	BDGB	
CC(=O)N[C@@H]1CCCC[C@@H]1Br	5378241	KUJIXOFYXFYBGA-JGVFFNPUSA-N	220.110	1.829	50	40	BDGB	
COC(=O)/C(C#N)=C/c1cccc(O)c1	149319	XNXWRKJBJPQBJK-WEVVVXLNSA-N	203.197	1.472	50	40	BDGB	
Cc1ccc[n+](CCBr)c1	28357	KZXHWMYQJCYQOS-UHFFFAOYSA-N	201.087	1.677	50	40	BDGB	
CS(=O)(=O)[C@@H]1CCCC[C@H]1SC#N	1768076	BPTWEHOUUDRHON-HTQZYQBOSA-N	219.331	1.556	50	40	BDGB	
O=C1C[C@@H](Cl)C(=O)N1c1ccccc1	4721943	NITPIKUGPTUBJE-MRVPVSSYSA-N	209.632	1.557	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@H]3[C@@H]3C=C[C@@H]4C3)[C@@H]12	104063060	CKKGPNARILRMPQ-YALKTZAFSA-N	230.263	1.390	50	40	BDGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1	108578845	UIPNVDQIFDBWAD-OPOJITKZSA-N	206.289	1.935	50	40	BDGB	
COCc1ccc(CNC(=O)CCl)cc1	68583539	AAMYOXZAXAEHNO-UHFFFAOYSA-N	227.691	1.688	50	40	BDGB	in-vitro
CCOC(=O)N/N=C(\C)c1csc(N)n1	9208794	XTUMYCQLXPOGCH-VZUCSPMQSA-N	228.277	1.195	50	40	BDGB	
CCO[C@@H]1OC(C#N)=CC[C@@H]1Br	4267772	FVEVVLHSCTXKGH-JGVFFNPUSA-N	232.077	1.940	50	40	BDGB	biogenic
O=Cc1ncccc1CBr	142432608	GBUWKGIDTRUORN-UHFFFAOYSA-N	200.035	1.789	50	40	BDGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1O	160878	XFSKQCUZYWROQP-WEVVVXLNSA-N	232.239	1.183	50	40	BDGB	
NC(=O)N/N=C/CC(=O)c1ccc(Cl)cc1	16400678	HIDBBLXYBGDUJA-AWNIVKPZSA-N	239.662	1.567	50	40	BDGB	
Cc1cc(C)c(C[C@H]2NC(=O)OC2=O)c(C)c1	1772714881	BPPKSZCPRPQZLM-LLVKDONJSA-N	233.267	1.789	50	40	BDGB	
O=S(=O)(CCCCl)Nc1ccccn1	5007994	CADCCSXXYWQBAF-UHFFFAOYSA-N	234.708	1.452	50	40	BDGB	
CC(=O)N/N=C(\C)CCc1ccc2c(c1)OCO2	4863680	RQUXFMFLVZPZRC-NTEUORMPSA-N	248.282	1.860	50	40	BDGB	
O=c1[nH]c(CCl)nc2sccc12	20303601	FRKMPZJCCOHFST-UHFFFAOYSA-N	200.650	1.723	50	40	BDGB	
COc1cccc(C(=O)NNC(=O)C(C)C)c1	289999	YUIUGRVBAWBDEK-UHFFFAOYSA-N	236.271	1.112	50	40	BDGB	
CC(C)C[C@H](NC(=O)C(Cl)Cl)C(=O)O	1608639	LGALGPUCFQPJLJ-YFKPBYRVSA-N	242.102	1.406	50	40	BDGB	
CCNC(=O)/C(C#N)=C/c1ccncc1	408819280	RDFSBZJLFWSRDQ-JXMROGBWSA-N	201.229	1.125	50	40	BDGB	
C=CCOCCI	34541862	KMOIQFBJWVVXFI-UHFFFAOYSA-N	212.030	1.624	50	40	BDGB	in-vitro
NC(=O)N/N=C/c1ccc(N2CCCCC2)cc1	1093613	IVDNTXYGWQAQNM-XNTDXEJSSA-N	246.314	1.679	50	40	BDGB	
OCCOCCOCCCCCCCl	1592055985	WMRPHSRRWGXIMJ-UHFFFAOYSA-N	224.728	1.811	50	40	BDGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCCO	1912885	IBUMBZOQVXMTJP-DHZHZOJOSA-N	248.257	1.231	50	40	BDGB	
CN(C1CC1)[C@@H]1CCCN(C(=O)CCl)C1	79419210	VDVNPAKGYQKFEA-SNVBAGLBSA-N	230.739	1.310	50	40	BDGB	
BrCC12CCN(CC1)CC2	32149590	AGHAKYNIROQVJK-UHFFFAOYSA-N	204.111	1.867	50	40	BDGB	
O=[P@](O)(c1ccccc1)c1nccs1	101023720	FAARYBIURRTVTG-UHFFFAOYSA-N	225.209	1.364	50	40	BDGB	
C/C(CC[C@@H](CC(=O)O)C(C)C)=N/NC(N)=O	16971144	CTGNZQZUICOFQC-LMRAXHDRSA-N	243.307	1.558	50	40	BDGB	
Cn1cccc1/C=C(/C#N)C(=O)NC1CCCC1	32561937	MKAUWAFNEVPDRQ-LUAWRHEFSA-N	243.310	1.991	50	40	BDGB	
O=C(CBr)c1ccc(F)nc1	34188311	LJKBMOJQJMPXQW-UHFFFAOYSA-N	218.025	1.798	50	40	BDGB	
N#Cc1ccc(CNC(=O)CCl)cc1	37501635	HKDMTHMREWXLBS-UHFFFAOYSA-N	208.648	1.413	50	40	BDGB	in-vitro
C/C(=N\NC(N)=O)c1ccc(C)c([N+](=O)[O-])c1	6301659	IKSMDJVBQKBNPC-KPKJPENVSA-N	236.231	1.296	50	40	BDGB	
CS(=O)(=O)C1[C@H]2CCC[C@H]1C2Cl	100703195	CEUPCBDHUWSNRW-LHZZQDSXSA-N	208.710	1.437	50	40	BDGB	
CC(C)(C)OC(=O)N[C@H](CCl)C(=O)O	2386108	NMRCVEILBKVWIK-RXMQYKEDSA-N	223.656	1.203	50	40	BDGB	
CCCCC/C(=N/NC(N)=O)C(OC)OC	4743176	PEJFPAXAXKOXFD-WQLSENKSSA-N	231.296	1.210	50	40	BDGB	
CNCCCNC(=O)OC(=O)OC(C)(C)C	100438005	GWBRKEWPSUSAAM-UHFFFAOYSA-N	232.280	1.257	50	40	BDGB	
Cc1cccc(/C=N\NC(=O)c2csnn2)c1	29763480	CUXOHEUWKLHJRR-SDQBBNPISA-N	246.295	1.610	50	40	BDGB	
O=C1OC(=O)[C@@H]2C[C@H](Cl)[C@H](Cl)C[C@H]12	104146833	WPQLFXWNCAIUOG-GUCUJZIJSA-N	223.055	1.311	50	40	BDGB	
CCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O	64219922	VSPBSYNJXYMUAE-CBAPKCEASA-O	236.719	1.328	50	40	BDGB	
O=C(O)c1cccn2c(=O)cc(CCl)nc12	44903713	XLPQNGYHUQNQMQ-UHFFFAOYSA-N	238.630	1.132	50	40	BDGB	
COc1ccccc1[C@H]1CCC(=O)OC1=O	104666731	UFIYTDUYTMHFJS-SECBINFHSA-N	220.224	1.642	50	40	BDGB	
CCOC(=O)/C=C1\CCCN1C(=O)[C@H](C)Cl	96528454	DIHHXTPWLCBJBO-INTFFVIUSA-N	245.706	1.683	50	40	BDGB	
C[C@H](Br)[C@@H](Br)CO	2022023	RZUXIYDMQGCCDD-IMJSIDKUSA-N	231.915	1.526	50	40	BDGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(N)=S	1925584	IMZBDOVXGBZCOL-XBXARRHUSA-N	233.252	1.788	50	40	BDGB	
O=C(Cl)c1cc2c(cc1[N+](=O)[O-])OCO2	34588306	ZOVGDBZRBILXPG-UHFFFAOYSA-N	229.575	1.703	50	40	BDGB	
CC1=CS(=O)(=O)C[C@@H]1Br	3865758	DEUTYJVGWAZEKM-YFKPBYRVSA-N	211.080	1.082	50	40	BDGB	
CCOCC1(c2nc(O)cc(CCl)n2)CC1	217794492	MRRACMCBXUEHNU-UHFFFAOYSA-N	242.706	1.989	50	40	BDGB	
CCOC(=O)C(C#N)=C1CCN(C)CC1	75616509	NDOFFNWLZSYDQP-UHFFFAOYSA-N	208.261	1.095	50	40	BDGB	
C[C@H]1CN(C(=O)C(Cl)Cl)C[C@@H](C)O1	97941739	XJBUATOZQCCBQY-OLQVQODUSA-N	226.103	1.426	50	40	BDGB	
CCOCc1cc(=O)[nH]c([C@@H](C)Cl)n1	95093986	BGDJOGGTFMFZOZ-ZCFIWIBFSA-N	216.668	1.606	50	40	BDGB	
CN1C(=O)[C@H](Br)SC1=S	1690538	PXIBSCQCUOHADM-UWTATZPHSA-N	226.120	1.198	50	40	BDGB	
Cc1c([N+](=O)[O-])c(C(=O)Cl)nn1C	6254036	DITDNKDSVBKVMY-UHFFFAOYSA-N	203.585	1.016	50	40	BDGB	
COc1cccc(NC(=O)/C(C#N)=C/N(C)C)c1	29763403	RTPOKAGAGUYIAT-MDZDMXLPSA-N	245.282	1.603	50	40	BDGB	
C[C@H]1C=C[C@@H]([C@@H]2CC(=O)OC2=O)C12CC2	68571805	ZNKNMJIBQGFVDL-CIUDSAMLSA-N	206.241	1.678	50	40	BDGB	
Cn1cccc1CC(=O)N/N=C/c1ccsc1	5670079	CNVPRGBHIPRGEE-MDWZMJQESA-N	247.323	1.779	50	40	BDGB	
CN(C)S(=O)(=O)c1ccc(N=C=S)cc1	19737302	ZAIFZABYMYTEAX-UHFFFAOYSA-N	242.325	1.671	50	40	BDGB	
CN1CCC[C@@H]1CN(C(=O)CCl)C1CC1	79406702	SLECDXAVGGVIQF-SNVBAGLBSA-N	230.739	1.310	50	40	BDGB	
CCCCc1ccc(C(=O)NN)n1CCC	226026532	BOWNPNDXZNTNJV-UHFFFAOYSA-N	223.320	1.844	50	40	BDGB	
COCC(=O)NNc1cccc(Cl)c1	65611947	KIYINRXWQVEOCS-UHFFFAOYSA-N	214.652	1.430	50	40	BDGB	
CCCc1ccc2oc(B(O)O)cc2c1	169747529	ZGVWCHMFANHQGA-UHFFFAOYSA-N	204.034	1.065	50	40	BDGB	
Cc1cccc(/C=N/NC(=O)CC#N)c1	59140334	ZLPHUNPFZKTZFG-MDWZMJQESA-N	201.229	1.359	50	40	BDGB	
CN(NC(=O)c1cccnc1O)c1ccccc1	12891284	OPKASJQGRDKXPA-UHFFFAOYSA-N	243.266	1.568	50	40	BDGB	
COC(=O)Cc1ccc(C(=O)CCl)n1C	15020411	GXLPQAQSEJUUGN-UHFFFAOYSA-N	229.663	1.162	50	40	BDGB	
O=C(CCl)c1ccc(O)c2[nH]c(=O)sc12	118142982	HAYWLGWCVJGYLW-UHFFFAOYSA-N	243.671	1.717	50	40	BDGB	
O=C(NCCCn1ccnc1)C(Cl)Cl	33353871	QCXFMQGOKGZSDS-UHFFFAOYSA-N	236.102	1.193	50	40	BDGB	
CN(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)CCl	79419261	AMOBYPIAMRDTSV-QWRGUYRKSA-N	244.766	1.747	50	40	BDGB	
O=C(O)c1nc(CCl)n(-c2ccccc2)n1	43828291	UYDVSJICHNMPSU-UHFFFAOYSA-N	237.646	1.704	50	40	BDGB	
O=Cc1cncc(CBr)c1	199793589	FTDSZQTVGKOSLO-UHFFFAOYSA-N	200.035	1.789	50	40	BDGB	
C[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C	97950109	UNPJIXJNLUVVRF-YFKPBYRVSA-N	215.205	1.289	50	40	BDGB	
CN(CCCl)CCBr	95811149	MWFLSWIWFXFHBF-UHFFFAOYSA-N	200.507	1.552	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)c1ccc(F)cc1	30696321	VPGVIOPQYFIUQQ-CSKARUKUSA-N	218.231	1.977	50	40	BDGB	in-vitro
Cc1cc(C)nc(NNC(=O)c2ccncc2)n1	22234172	BAVMXIFEDFXPRK-UHFFFAOYSA-N	243.270	1.245	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1C(C)(C)C	223697308	IRDRCORSVYOALT-UHFFFAOYSA-N	209.293	1.463	50	40	BDGB	
CCCCS(=O)(=O)CCBr	35327369	LLCZNKNPSIAYMK-UHFFFAOYSA-N	229.139	1.596	50	40	BDGB	
COc1ccc(C(=O)NC(=O)CCl)cc1	3316206	UOKWEUUCADMNPK-UHFFFAOYSA-N	227.647	1.190	50	40	BDGB	in-vitro
CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cl)C1	65731378	FXESQZCEOYWZJH-ZETCQYMHSA-N	233.695	1.804	50	40	BDGB	in-vitro
CC/C=C(C)\C=N\NC(=O)c1ccc[n+](C)c1	18100309	UKMVWVNGSBIBDX-JPXWVJCXSA-O	232.307	1.583	50	40	BDGB	
NNC(=O)c1cccc2cccc(O)c12	2567182	NHCZKQJJECXESD-UHFFFAOYSA-N	202.213	1.149	50	40	BDGB	
COc1cccc(/C=N/NC(=O)C2CC2)c1O	511169	OWTDEIBSPYQXIL-NTUHNPAUSA-N	234.255	1.261	50	40	BDGB	
COc1ccc(CCCC(=O)NN)cc1	4679829	LOQJQIHQPAFRBZ-UHFFFAOYSA-N	208.261	1.008	50	40	BDGB	
N#CSc1c(C(=O)O)cccc1[N+](=O)[O-]	73633127	XDKAYJMYOJXEAU-UHFFFAOYSA-N	224.197	1.866	50	40	BDGB	
Cc1ccc2ncc(C(=O)NN)cc2c1	45921538	YLCRIQJWJXWLKY-UHFFFAOYSA-N	201.229	1.147	50	40	BDGB	
NC(=O)N/N=C/c1ccc(C(F)(F)F)cc1	3469256	OZZSKCZSWYEDLE-LHHJGKSTSA-N	231.177	1.708	50	40	BDGB	
CC1(C)[C@@H]2CCC/C(=N\NC(N)=O)[C@@H]1C2	102318888	CCBIPOQAEMMFRA-KQEMOUSFSA-N	209.293	1.857	50	40	BDGB	
O=C1C[C@@H](Cc2cccc(F)c2)C(=O)O1	103673237	WHSISVREMUHDMX-MRVPVSSYSA-N	208.188	1.458	50	40	BDGB	
O=C1N[C@@H](Cc2ccccc2Cl)C(=O)O1	1772714722	MKZJVVLYSKWFAK-QMMMGPOBSA-N	225.631	1.518	50	40	BDGB	
O=C(N/N=C/c1cccc(O)c1)c1ccccn1	227884	AIVSTDLJPLXUBC-OQLLNIDSSA-N	241.250	1.551	50	40	BDGB	
Nc1ccccc1C(=O)NN=C1CCCC1	6045408	VBNVTZYTTMOXOI-UHFFFAOYSA-N	217.272	1.929	50	40	BDGB	
COc1ccc2c(c1)[C@H](C(C)=O)C(=O)OC2=O	100411269	NJCYEMDJSJLAGJ-JTQLQIEISA-N	234.207	1.065	50	40	BDGB	
IC[C@@H]1CCCCN1	72194513	NXUZCTVWPHDCHI-LURJTMIESA-N	225.073	1.564	50	40	BDGB	
Cc1ccc(/C=N\NC(=O)c2cnccn2)s1	32313349	KHBNCTYOWCJOFE-NSIKDUERSA-N	246.295	1.610	50	40	BDGB	
C[C@H]1C[C@@H](NNC(=O)OC(C)(C)C)CCO1	95347630	ZHXQHAOHWHLGSX-IUCAKERBSA-N	230.308	1.583	50	40	BDGB	
O=C(NCCCl)N[C@H]1C[C@@H]2CC[C@@H]1C2	100373036	SYLXUMNNMPYKQK-HLTSFMKQSA-N	216.712	1.713	50	40	BDGB	
O=C(NNC(=O)C1CC1)c1ccc(F)cc1F	3246321	IAQAKBYCFVJOAZ-UHFFFAOYSA-N	240.209	1.136	50	40	BDGB	
COC(=O)N/N=C/c1ccc(C(=O)O)cc1	3471137	XHKHUKFYWQZSDR-IZZDOVSWSA-N	222.200	1.075	50	40	BDGB	
C[C@@H]1CN(C(=O)[C@@H](C)Cl)C[C@@H](C)O1	6047024	CQXVMOSWWGTUHF-BWZBUEFSSA-N	205.685	1.250	50	40	BDGB	
C[C@@H]1CO[C@H]([C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@@H]3Cl)O1	254873018	ALRFFJGNNDCJFL-TYYBKXCLSA-N	232.707	1.372	50	40	BDGB	
CC(C)c1cc(NC(=O)CCl)on1	2654061	BMDFCFKINGWUMV-UHFFFAOYSA-N	202.641	1.975	50	40	BDGB	in-vitro
O=C(CCl)NNC(=O)c1cccc(Cl)c1	2649922	YPRQSTVGQGTHSN-UHFFFAOYSA-N	247.081	1.340	50	40	BDGB	
O=C(N/N=C/c1ccoc1)c1cc(O)cc(O)c1	15933907	JLQRYFLMVCLQEL-AWNIVKPZSA-N	246.222	1.455	50	40	BDGB	
O=C(N/N=C\c1ccncc1)c1ccccc1	31729505	IDBRDJFOFNLZRV-GDNBJRDFSA-N	225.251	1.846	50	40	BDGB	
O=C(Cc1cccs1)N/N=C\c1cccnc1	31841406	VUKYGDRLJVROJN-ZROIWOOFSA-N	245.307	1.836	50	40	BDGB	
CCOc1ccc(Cl)cc1/C=N/NC(N)=O	564349	HQKDSIAPCKVYAY-AWNIVKPZSA-N	241.678	1.741	50	40	BDGB	
NNC(=O)c1ccoc1-c1ccccc1O	1394228	BVBNFVCJWZTIFK-UHFFFAOYSA-N	218.212	1.256	50	40	BDGB	
N#CC(C#N)=C1CN=C(N2CCCC2)S1	16138014	GEZVNGRFURUJGF-UHFFFAOYSA-N	218.285	1.486	50	40	BDGB	
C[C@@]12CC[C@@H](C(=O)C1=O)[C@]2(C)CBr	2505762	YCFGJEUKLHTOAS-QUNWWBBNSA-N	245.116	1.956	50	40	BDGB	
O=N[C@H]1[C@@H](Cl)[C@@H]2C[C@H]1[C@H]1COC[C@H]21	4769240	IYAJFQMOIACNQB-ZYWBIDCJSA-N	201.653	1.641	50	40	BDGB	
[C-]#[N+]CC(=O)N1CCN(C2CCCCC2)CC1	104899374	QZHJXWLNEPVKJX-UHFFFAOYSA-N	235.331	1.383	50	40	BDGB	
CCOC(OCC)[C@H](C=O)CBr	82048806	SKCXVXRCRRNZPL-ZETCQYMHSA-N	239.109	1.596	50	40	BDGB	in-vitro
CC(C)(C)OC(=O)N1CC(OC(=O)Cl)C1	90394323	PMFUNKVMRLFUJD-UHFFFAOYSA-N	235.667	1.981	50	40	BDGB	in-vitro
CC(=O)N/N=C/c1ccccc1Br	3164480	YPAUAMIIBJVTFZ-IZZDOVSWSA-N	241.088	1.919	50	40	BDGB	
N#CCC(=O)N/N=C/c1ccc(F)cc1	3184406	PUXNTGLNECCIQG-NTUHNPAUSA-N	205.192	1.189	50	40	BDGB	
O=C(c1ccccc1)[C@@H](Br)[N+](=O)[O-]	1604920	ZBVSOJZWZUGUAY-QMMMGPOBSA-N	244.044	1.867	50	40	BDGB	
Cn1ncc(Br)c1C=C(C#N)C#N	2766463	SZBUBJGLXVZLJQ-UHFFFAOYSA-N	237.060	1.613	50	40	BDGB	
CCOC(=O)NNC(=O)c1ccccc1	1725825	RDGMCHMEQAKGEG-UHFFFAOYSA-N	208.217	1.078	50	40	BDGB	
CO[C@@]12CC[C@@H](C)CC1=C(C#N)C(C#N)=C(N)O2	96336584	SQSHGYHQEMQDEV-AMIZOPFISA-N	245.282	1.693	50	40	BDGB	
O=C1[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@H]3[C@@H]12	195529075	AMHCEXBDUDDEPZ-RJVNFYTGSA-N	239.112	1.707	50	40	BDGB	
Cc1cccc(-c2ncc(C(=O)NN)cn2)c1	223456562	WLVHRRNAHVHYAS-UHFFFAOYSA-N	228.255	1.056	50	40	BDGB	
Cc1ccc(C(=O)N/N=C/c2cccnc2)cn1	5547503	PRLRBDBDHJPPFT-LZYBPNLTSA-N	240.266	1.549	50	40	BDGB	
O=C(CNc1ccccc1)N/N=C/c1ccc[nH]1	43239	YVYQTRCQWQEJEO-CXUHLZMHSA-N	242.282	1.577	50	40	BDGB	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(N)=S	408541849	FGBKLHPLDGPURB-XVNBXDOJSA-N	249.251	1.493	50	40	BDGB	
Cc1cc(F)c(B(O)O)c(Cl)c1Cl	642814823	YQRVWJNOUBYNBB-UHFFFAOYSA-N	222.839	1.121	50	40	BDGB	
Cc1ccc(-c2cc(C(=O)NN)[nH]n2)c(C)c1	266253	IROLJGLPRBOLJF-UHFFFAOYSA-N	230.271	1.297	50	40	BDGB	
Cc1ccc(NCC(=O)NN)cc1Cl	422259	FIWSPELZYOLWRJ-UHFFFAOYSA-N	213.668	1.050	50	40	BDGB	
C[C@@H](CCl)NS(=O)(=O)c1ccccc1	1711118	WTUGAXUPSUTLEL-QMMMGPOBSA-N	233.720	1.592	50	40	BDGB	
N[C@@H](CBr)Cc1ccccc1	21297928	UFCHHNJHLWIUGS-SECBINFHSA-N	214.106	1.951	50	40	BDGB	
N#C/C(=C\c1ccsc1)C(=O)NC1CC1	2769640	KVUUPVBBAUZASH-WEVVVXLNSA-N	218.281	1.934	50	40	BDGB	
N#CSc1cc(C(=O)O)ccc1[N+](=O)[O-]	3067789	NKDCFAWCWUZTDY-UHFFFAOYSA-N	224.197	1.866	50	40	BDGB	
CCOC(=O)/C(C#N)=C(\O)CCCC(=O)O	104195007	SVBCDQVTCQAGAQ-FPLPWBNLSA-N	227.216	1.140	50	40	BDGB	
CC[C@H]1S[C@@H](C)C/C(=N\NC(N)=O)[C@@H]1C	13138498	CXEKRAUJXURPPU-JLPZAMGQSA-N	229.349	1.951	50	40	BDGB	
CCCCOc1ccccc1/C=N/NC(N)=O	13747752	WMMTYTNMTWDPLG-NTEUORMPSA-N	235.287	1.868	50	40	BDGB	
CC/C(=N/NC(N)=O)c1ccc(C)cc1	17156301	ANXFRTGWNKSKAT-RAXLEYEMSA-N	205.261	1.777	50	40	BDGB	
CNC(=O)[C@H]1CCCC[C@@H]1Br	1578059	JESFBRDANDJQKC-BQBZGAKWSA-N	220.110	1.686	50	40	BDGB	
CCC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl	1689456	WBBGWGCORSOFGS-XINAWCOVSA-N	248.537	1.632	50	40	BDGB	
CCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O	64219918	VSPBSYNJXYMUAE-VXNVDRBHSA-O	236.719	1.328	50	40	BDGB	
CC(=O)N/N=C/c1ccc(NC(C)=O)cc1	5613315	AJZSWPNOAHNTKK-KPKJPENVSA-N	219.244	1.115	50	40	BDGB	
N#CC1=C(N)/C(=C/c2ccncc2)SC1=N	15134140	SEWTWBDOMNAAKI-YSRNYZDFSA-N	228.280	1.883	50	40	BDGB	
C/C(=N/NC(N)=O)[C@H](C)Cc1ccccc1	4701342	DURKWDCMJGVGDW-OLULMYBYSA-N	219.288	1.909	50	40	BDGB	
CC(=O)N(C)NC(=S)c1ccccc1	59366479	GZGJPYDDKGYCRW-UHFFFAOYSA-N	208.286	1.345	50	40	BDGB	
N#CC1=C(S)NC(=O)C[C@@H]1c1ccco1	4205036	CPJUMRWBAYZYEK-LURJTMIESA-N	220.253	1.548	50	40	BDGB	
CCN(C[C@@H]1CCCN1C)C(=O)CCl	79406520	DYNIIJADAYVQTD-VIFPVBQESA-N	218.728	1.168	50	40	BDGB	
CC[C@H](C)CNC(=O)CBr	82511129	ONQKTFCTFSVATN-LURJTMIESA-N	208.099	1.544	50	40	BDGB	
N#CCC(=O)N/N=C/c1cccc(F)c1	573916	LNOBDCORHKTENZ-NTUHNPAUSA-N	205.192	1.189	50	40	BDGB	
O=NN(CCCl)C(=O)N[C@@H]1CCC[C@H](O)C1	5134620	RLVBEHFQVMKVOD-SFYZADRCSA-N	249.698	1.222	50	40	BDGB	
C=CCOc1cccc(/C=N/NC(N)=O)c1	7894863	QQZXRDKTTTZWNA-MDWZMJQESA-N	219.244	1.254	50	40	BDGB	
Cn1nccc1C(=O)N/N=C/c1ccc(F)cc1	369267	ABSUMUGKIJZEAL-RIYZIHGNSA-N	246.245	1.323	50	40	BDGB	
N#CC1=C(S)NC(=O)C[C@H]1c1ccco1	4205033	CPJUMRWBAYZYEK-ZCFIWIBFSA-N	220.253	1.548	50	40	BDGB	
N#CC(C#N)=Cc1ccc(OCC(=O)O)cc1	6209254	UOLRPUAEKSWWAE-UHFFFAOYSA-N	228.207	1.581	50	40	BDGB	
O=C(C=C(C1CC1)C1CC1)NNc1ncccn1	48696316	WPXYSHHQSWTVED-UHFFFAOYSA-N	244.298	1.666	50	40	BDGB	
O=C(O)c1cncc(CBr)c1	34410847	HIHLBQYJNPEQJU-UHFFFAOYSA-N	216.034	1.675	50	40	BDGB	
COC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	245122	ADSKYUWIROATHE-UXBLZVDNSA-N	223.188	1.285	50	40	BDGB	
C[C@H]1CN(C(=O)[C@H](C)Cl)C[C@@H](C)O1	15913985	CQXVMOSWWGTUHF-RNJXMRFFSA-N	205.685	1.250	50	40	BDGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccncc1	31768894	SVYYQPLGBPBEQO-SXGWCWSVSA-N	243.241	1.985	50	40	BDGB	
OB(O)c1ccnc(-c2cccc3ccccc23)c1	299738104	WZIXRVWBQGOQAZ-UHFFFAOYSA-N	249.078	1.582	50	40	BDGB	
O=C(OCCCl)[C@@H]1C[C@H]2C=C[C@@H]1C2	5049279	FWONCFOUESAYJK-DJLDLDEBSA-N	200.665	1.981	50	40	BDGB	
C=C(C#N)[C@H](O)c1ccc([N+](=O)[O-])cc1	9293887	KSSHQPCVMZULSQ-JTQLQIEISA-N	204.185	1.708	50	40	BDGB	in-vitro
O=C(N/N=C/C=C/c1ccco1)c1cnccn1	2300729	LYJQREZLYZWSAY-FFBKCXOWSA-N	242.238	1.499	50	40	BDGB	
Br[C@@H]1CN=C2SCCN2C1	496148	BJATVBHBUXMNNH-RXMQYKEDSA-N	221.123	1.168	50	40	BDGB	
C[C@@H](Nc1nc2ccccc2s1)C(=O)NN	4218363	WYZLLODOOQMZBX-ZCFIWIBFSA-N	236.300	1.087	50	40	BDGB	in-vitro
CC1(C)Cc2cc(/C=C(/C#N)C(N)=O)ccc2O1	71857477	NNXNLCRVBPRQLA-WDZFZDKYSA-N	242.278	1.792	50	40	BDGB	
OB(O)c1ccc2c(ccc3ccccc32)c1	169806780	MWIZGXJYCNZVDW-UHFFFAOYSA-N	222.052	1.673	50	40	BDGB	
CC(=O)N/N=C\c1ccc([N+](=O)[O-])s1	5063792	XSZOEPIFJJLSHB-YWEYNIOJSA-N	213.218	1.126	50	40	BDGB	
C/C(=N\NC(=O)c1ccn[nH]1)c1ccccc1	5349920	QIHMHKQNBJUDEY-NTEUORMPSA-N	228.255	1.564	50	40	BDGB	
NNC(=O)C1(c2ccccc2)CCCC1	295060	AWIRIZUEXRYGJC-UHFFFAOYSA-N	204.273	1.488	50	40	BDGB	
C[N+](C)(C)CSSC[N+](C)(C)C	1716339	NDYHPRNKCBZMKQ-UHFFFAOYSA-N	210.412	1.695	50	40	BDGB	
CC(C)(C)C1=CC(=O)C(C#N)=C(C#N)C1=O	1728848	OEIGUIWTZCGQFL-UHFFFAOYSA-N	214.224	1.454	50	40	BDGB	
CN(C)NC(=O)Nc1nc2ccccc2s1	6712045	WCXIENMKJFUFMO-UHFFFAOYSA-N	236.300	1.894	50	40	BDGB	
CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	7946597	ZBNBIWNNGJVZJR-VZUCSPMQSA-N	241.634	1.718	50	40	BDGB	
CC(/C=C/c1ccccc1)=N/NC(N)=O	17109940	XEAXZEMHSLDEEG-UFVXJIOISA-N	203.245	1.744	50	40	BDGB	
OB(O)c1ccc(Oc2ccc(Cl)cc2)nc1	204255021	GLYTUDGTGLCVBA-UHFFFAOYSA-N	249.462	1.207	50	40	BDGB	
O=[P@]12OCCCN1CCN2CCCl	2030518	PWGJOPOXRGOWLB-ZDUSSCGKSA-N	224.628	1.371	50	40	BDGB	in-vitro
CC(C)c1ccc(OCC(=O)NN)c(Cl)c1	66056275	HDHOLWITJSVSRW-UHFFFAOYSA-N	242.706	1.832	50	40	BDGB	
O=C(/C=C/c1cccnc1)NNc1ncccn1	44717219	OCGSCLZVSLIKDH-SNAWJCMRSA-N	241.254	1.028	50	40	BDGB	
COc1cc(B(O)O)ccc1-c1ccccc1	382772085	QPEBGCLQPCQHHI-UHFFFAOYSA-N	228.056	1.042	50	40	BDGB	
COc1ccc(/C(C)=N\NC(C)=O)cc1	12417652	QOCZPPHVOJRFHR-WQLSENKSSA-N	206.245	1.555	50	40	BDGB	
O=P(NC1CCCCC1)(N1CC1)N1CC1	104388773	USPCPPIHFKIMOE-UHFFFAOYSA-N	229.264	1.648	50	40	BDGB	
C=CC[C@@H](C[C@@H](O)CCCCC)C(=O)NN	1876959	SLOLRWIFWHNMLZ-QWRGUYRKSA-N	228.336	1.500	50	40	BDGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)O	13362686	NSPVKWWJNGGXPA-WEVVVXLNSA-N	217.180	1.376	50	40	BDGB	
CCOC(=O)O[C@@H](C)I	21992486	BDHXJIRTSWHBPR-BYPYZUCNSA-N	244.028	1.941	50	40	BDGB	
CC(=O)Oc1c(C)cc([N+](=O)[O-])cc1C=O	216770161	FGXSZYVTHYKGRQ-UHFFFAOYSA-N	223.184	1.641	50	40	BDGB	
O=C(CCBr)N1CCCC1	41672964	OFISMAFOCGCIQX-UHFFFAOYSA-N	206.083	1.394	50	40	BDGB	in-vitro
CS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccccc1	96518831	CWBNAKJPRGFNKX-DTWKUNHWSA-N	234.704	1.330	50	40	BDGB	
COc1ccc(/C=N/NC(C)=O)cc1OC	5283460	JFYVQZZGMZMCGM-KPKJPENVSA-N	222.244	1.174	50	40	BDGB	
CCCCCCN(/N=C/C(=O)O)C(N)=O	1757790	MRPZNTQBNRQCND-YRNVUSSQSA-N	215.253	1.018	50	40	BDGB	
NC(=O)N/N=C/c1cccc2ccccc12	48050	PGGDPZZBYGQPGJ-RIYZIHGNSA-N	213.240	1.842	50	40	BDGB	
CC(=O)/C(C#N)=C1/NC(=O)c2ccccc2N1	100646981	KLOGFVRXOXIQGB-PKNBQFBNSA-N	227.223	1.166	50	40	BDGB	
CC[C@@H]1CCc2sc(C(=O)NN)cc2C1	3887717	KSBSVFQASIUMJI-SSDOTTSWSA-N	224.329	1.867	50	40	BDGB	
C/C(=N\NC(=O)c1cccnc1)c1ccccn1	16972401	UZXMPYRNPLYGNJ-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
C[C@H](Br)C(=O)N1CCCC1	39055460	NAADBKOUMIMVHO-LURJTMIESA-N	206.083	1.392	50	40	BDGB	
Cn1ccc2cc(NC(=O)NN)ccc21	89157430	VQLPFHFACLYDBQ-UHFFFAOYSA-N	204.233	1.174	50	40	BDGB	
NC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O	83318491	SARAKVGXIOTMEN-BASWHVEKSA-N	248.069	1.701	50	40	BDGB	
CCOC(=O)[C@H](Br)C(=O)CCl	199565484	AEDSELRTPADNAU-RXMQYKEDSA-N	243.484	1.121	50	40	BDGB	
NC(=O)N/N=C/c1ccccc1OC(F)F	3469244	GHXPTGYHYXXPHO-WLRTZDKTSA-N	229.186	1.290	50	40	BDGB	
CCOC(=O)c1cc(C(=O)Cl)n(CC)n1	408717890	ZYDVXGKNKLJNJJ-UHFFFAOYSA-N	230.651	1.459	50	40	BDGB	
O=C(O)c1ncccc1CBr	199765889	QYISNJKOIUMFEW-UHFFFAOYSA-N	216.034	1.675	50	40	BDGB	
C[C@@H](Cl)C(=O)NNC(=O)c1cccc(F)c1	95883589	YTPYMKXXSYHDPC-ZCFIWIBFSA-N	244.653	1.214	50	40	BDGB	
NC(=O)c1sccc1NC(=O)CCl	2577779	BBVRQYVPKGMKOL-UHFFFAOYSA-N	218.665	1.024	50	40	BDGB	
CCC(=O)NNC(=O)c1ccccc1Cl	485211	PXMQXTTVBGULCY-UHFFFAOYSA-N	226.663	1.511	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21	100366512	VFNYTWHRVSBLAG-AYZIFTRNSA-N	205.261	1.243	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	26686819	MMVXNKVKGCZHLO-FLIBITNWSA-N	228.251	1.601	50	40	BDGB	
C/C(=N/NC(=O)c1cnccn1)c1ccco1	4906252	HFDJHWFEJUMYII-ZSOIEALJSA-N	230.227	1.224	50	40	BDGB	
CCN(C(=O)CCl)[C@H]1CCCC[C@@H]1N(C)C	79406592	FBHJEFCCGRIVEX-QWRGUYRKSA-N	246.782	1.947	50	40	BDGB	
Cc1noc(-c2ccn3c(CCl)nnc3c2)n1	96516527	YCKHREQZZUWRLU-UHFFFAOYSA-N	249.661	1.827	50	40	BDGB	
O=C1O[C@H]2C[C@H]1CC[C@@H]2Br	104151618	HIEDNXSBEYNHJB-SRQIZXRXSA-N	205.051	1.475	50	40	BDGB	
CC(C)(C)OC(=O)N1C(C=O)=CS[C@H]1N	71791430	SUJBWQJKURLRPJ-ZETCQYMHSA-N	230.289	1.253	50	40	BDGB	
COc1ccc([C@H]2NC(=O)OC2=O)cc1OC	1772714782	UVLXTLGSLXTGQR-SECBINFHSA-N	237.211	1.011	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1ccccc1	5743181	BWGCNZKINRVOJB-FMIVXFBMSA-N	230.267	1.356	50	40	BDGB	
CCOC(=O)[C@H](Cl)[C@H](Cl)C(=O)OCC	1683358	PBGMSGHICSEALQ-OLQVQODUSA-N	243.086	1.327	50	40	BDGB	
COc1ccccc1CNC(=O)[C@H](C)Cl	8155960	PZVWRBCZGOBMCY-QMMMGPOBSA-N	227.691	1.939	50	40	BDGB	in-vitro
COC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1	4699604	OPYIWYGMMQZLBB-YRNVUSSQSA-N	237.215	1.675	50	40	BDGB	
O=C(N/N=C\c1ccc(F)cc1)c1cnccn1	32576831	BGWQSNBVMOOUBO-APSNUPSMSA-N	244.229	1.380	50	40	BDGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1cccnc1	4646970	JYWATBJXVPZQPY-IEETYHAJSA-N	227.267	1.763	50	40	BDGB	
CCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O	64219921	VSPBSYNJXYMUAE-APPZFPTMSA-O	236.719	1.328	50	40	BDGB	
O=C(O)[C@H]1CC[C@@H](I)C1	168682064	GZQHEJRBBBSWBA-CRCLSJGQSA-N	240.040	1.675	50	40	BDGB	
COC(=O)NN/C=C1\OC(=O)c2ccccc21	100911550	CZEWUWFECFOAIL-TWGQIWQCSA-N	234.211	1.016	50	40	BDGB	
C[C@H](c1nccs1)N(C)C(=O)CCl	79436212	RLQBYOQCWQGQAQ-ZCFIWIBFSA-N	218.709	1.901	50	40	BDGB	
Cn1ncc(C(=O)Cl)c1C(F)(F)F	91297504	BPTGBMUGXIROPX-UHFFFAOYSA-N	212.558	1.818	50	40	BDGB	
O=C1N[C@H](c2cc(F)cc(F)c2)C(=O)O1	1772714790	VSXGCNKIWVRLKA-SSDOTTSWSA-N	213.139	1.272	50	40	BDGB	
C[N+](C)(C)NC(=O)c1ccc(Cl)cc1	5360039	GQUNFICGHCCWAY-UHFFFAOYSA-O	213.688	1.691	50	40	BDGB	
CC(=O)N(C)N(Cc1ccc(C#N)cc1)C(C)=O	1762248	JVMJSPVLXKFKNK-UHFFFAOYSA-N	245.282	1.300	50	40	BDGB	
CC(C)CCNC(=O)NC(=O)CCl	3250174	BCRMKWURTYRYGG-UHFFFAOYSA-N	206.673	1.097	50	40	BDGB	in-vitro
CS(=O)(=O)[C@H](Cl)C(=O)c1ccc(N)cc1	96517755	VHLYREZCRGSQLE-VIFPVBQESA-N	247.703	1.061	50	40	BDGB	
N#CC(C#N)=C1C(=O)C(=O)c2ccccc21	5604685	RSMPGFKHHNPOST-UHFFFAOYSA-N	208.176	1.253	50	40	BDGB	
O=S(=O)(CCCl)CCc1ccccc1	1734861	MRIMYKIILCSBSW-UHFFFAOYSA-N	232.732	1.883	50	40	BDGB	
C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1C=C[C@H]2CC1	104125489	UHRNOXDFVDHLIG-RJVLYZLMSA-N	206.241	1.678	50	40	BDGB	
C/C(=N\NC(=O)NCC1CC1)c1cn(C)nc1C	96999477	OOEFUYWOGIFODR-RIYZIHGNSA-N	249.318	1.162	50	40	BDGB	
NC(=O)c1cccc(-c2noc(CCl)n2)c1	1582935357	ODXISGONIADRRE-UHFFFAOYSA-N	237.646	1.574	50	40	BDGB	
CN(Cc1cccs1)C(=O)CCl	3423892	WHLFGXOMONJIPJ-UHFFFAOYSA-N	203.694	1.945	50	40	BDGB	in-vitro
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)c(C)o1	26991627	SNDNIAWUMHSLHW-MUWHJKNJSA-N	236.271	1.313	50	40	BDGB	
O=C(CCl)OCCOc1ccccc1	1595726	BGIKAENNYCIKHC-UHFFFAOYSA-N	214.648	1.847	50	40	BDGB	
CCn1ccc2nc(CCl)cc(=O)n21	12398304	MLZPIAHQUTXXCW-UHFFFAOYSA-N	211.652	1.255	50	40	BDGB	
COc1ccc(C2CC(=O)OC(=O)C2)cc1	100494493	OPJADAOABCOMIC-UHFFFAOYSA-N	220.224	1.642	50	40	BDGB	
CCn1c(C)cc(/C=N/NC(C)=O)c1C	409019318	YSZHSLYWSQCTLI-KPKJPENVSA-N	207.277	1.595	50	40	BDGB	
NNC(=O)CSc1ccnc2ccccc12	90613080	OHRFIYJVBXXKSG-UHFFFAOYSA-N	233.296	1.317	50	40	BDGB	
Cc1cc(-c2ccccc2)cc(C)c1B(O)O	202829108	KEWCSCZDKPGJSC-UHFFFAOYSA-N	226.084	1.650	50	40	BDGB	in-vitro
N#CC(C#N)=C1CCC2(CC1)OCCO2	16137703	DQWWSAFLSMOAIE-UHFFFAOYSA-N	204.229	1.647	50	40	BDGB	
CN(C)NC(=O)Nc1ccc2snnc2c1	95034	BIGVNPLXPIGYIG-UHFFFAOYSA-N	237.288	1.289	50	40	BDGB	
CCCCCC/C(=N/NC(N)=O)C(OC)OC	4743180	LQSOXLVDGWRMBM-LCYFTJDESA-N	245.323	1.600	50	40	BDGB	
CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2	5282426	KILAMDRZWNVWOQ-MDWZMJQESA-N	234.255	1.318	50	40	BDGB	
COCn1oc(C)c(CBr)c1=O	22053290	NXVLWEJLMUHPTC-UHFFFAOYSA-N	236.065	1.249	50	40	BDGB	in-vitro
CN(C)[C@H]1CCCC[C@@H]1NC(=O)CCl	79406436	UEFZHZMOIJOVJO-IUCAKERBSA-N	218.728	1.214	50	40	BDGB	
CC(=O)N(N)c1ncc(Cl)cc1F	85471798	UTZMDSMZUAVCLS-UHFFFAOYSA-N	203.604	1.101	50	40	BDGB	
C/C(=C(/C#N)C(N)=O)c1ccc(F)cc1	12398377	PGHMMDYVTNXKKQ-JXMROGBWSA-N	204.204	1.608	50	40	BDGB	
O=c1n(CCCCl)nc2ccccn12	2579293	AKJMURFKRBVTGJ-UHFFFAOYSA-N	211.652	1.125	50	40	BDGB	in-vitro
C[C@H](Cl)C(=O)NC1(C#N)CCCCC1	2650127	NORBIVAWQUKFIC-QMMMGPOBSA-N	214.696	1.956	50	40	BDGB	
CCC(O)(CC)C(=O)NNc1ccccc1	500329	KHOIXZVUYSLPAQ-UHFFFAOYSA-N	222.288	1.681	50	40	BDGB	
C=CCNC(=O)C(=O)NN=C(CCC)CCC	58885570	XPWLJYHBDOYIAY-UHFFFAOYSA-N	239.319	1.361	50	40	BDGB	
COC(=O)c1cccc(C(=O)CCl)n1	39055615	DANSJQWCTFAIFG-UHFFFAOYSA-N	213.620	1.290	50	40	BDGB	
CC(C)=NNC(=O)c1c(C)nc2ccccn12	42649852	YFUIPFGMLQUDNN-UHFFFAOYSA-N	230.271	1.768	50	40	BDGB	
C[C@H]1CN(C(=O)CCl)CC(C)(C)O1	45707588	ZPOUARKIZOSMFF-ZETCQYMHSA-N	205.685	1.251	50	40	BDGB	
O=C1ON=C(CCl)/C1=C/c1ccc(O)cc1	83330990	NRXWYEXYHHJRFQ-UITAMQMPSA-N	237.642	1.927	50	40	BDGB	
O=C(Cn1ccnc1)N/N=C/c1cccs1	13640442	DVMXIAYUAPNZNO-WUXMJOGZSA-N	234.284	1.095	50	40	BDGB	
COC(=O)c1ccc(NC(=O)CCl)o1	160065	AAPYPGRKMBAEOA-UHFFFAOYSA-N	217.608	1.244	50	40	BDGB	
Cc1cc(N2CCOCC2)ncc1CCl	72223542	SIWYKZSJUBWCSH-UHFFFAOYSA-N	226.707	1.965	50	40	BDGB	
CCOC(=O)N/N=C\c1cccc(O)c1	31687244	GXSROHNWXDVICS-XFFZJAGNSA-N	208.217	1.472	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccccc1O	43332	MFJXYIAEFZJHHB-NTEUORMPSA-N	243.266	1.495	50	40	BDGB	
CC[C@@H]1S[C@@H](C)C/C(=N\NC(N)=O)[C@H]1C	33939081	CXEKRAUJXURPPU-WJGLXXKGSA-N	229.349	1.951	50	40	BDGB	
O=C(NCCCl)N[C@H]1C[C@H]2CC[C@H]1C2	100373042	SYLXUMNNMPYKQK-CIUDSAMLSA-N	216.712	1.713	50	40	BDGB	
CCCOc1ccc(/C=N/NC(C)=O)cc1	2056586	YBMUEIPHIGFNQZ-UKTHLTGXSA-N	220.272	1.945	50	40	BDGB	
Cc1oc(NC(=O)CCl)c(C#N)c1C	9596199	QREPPBBMIDFWEQ-UHFFFAOYSA-N	212.636	1.945	50	40	BDGB	
CN(C)/C=C(\C=O)c1ccccc1[N+](=O)[O-]	33374096	PSNHGTBTKGIRRS-VQHVLOKHSA-N	220.228	1.696	50	40	BDGB	
O=C(CCl)NCc1nc2ccccc2[nH]1	45796263	QZUOLKZKPRUMPP-UHFFFAOYSA-N	223.663	1.418	50	40	BDGB	
CC1(C)CC(=O)[C@H]2C(CCl)=NN[C@H]2C1	228920699	CHHSBGKQJRSGDO-IMTBSYHQSA-N	214.696	1.558	50	40	BDGB	
COc1ccc([C@H]2NC(=O)OC2=O)c(OC)c1	1772714928	GHEAHSDNGDYFMM-SECBINFHSA-N	237.211	1.011	50	40	BDGB	
ClCCNCCSCCCl	1591262	YTDZCOQLPRSWJH-UHFFFAOYSA-N	202.150	1.787	50	40	BDGB	
CC(C)OC(=O)/C(C#N)=C\c1cccnc1	4797788	UHUWORXRRDEJKV-WDZFZDKYSA-N	216.240	1.940	50	40	BDGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NN	57351333	RORXEZNBBVYNKC-UHFFFAOYSA-N	230.271	1.093	50	40	BDGB	
C/C(Nc1cccc(F)c1)=C(/C#N)C(N)=O	506129	MGOPMGNLLMSUQB-JXMROGBWSA-N	219.219	1.520	50	40	BDGB	
CCC(CC)=NNC(=O)C(=O)NC(C)(C)C	59516005	PRECHBMESXGQGJ-UHFFFAOYSA-N	227.308	1.193	50	40	BDGB	
CCC(CC)[C@@H]1N=C(N)C(=C(C#N)C#N)N1	22145686	QYHQINVEPFSQMI-NSHDSACASA-N	217.276	1.010	50	40	BDGB	
CCc1cccc2c1NC(=O)/C2=N\NC(C)=O	223733621	TZXYYLXBNZFXJY-UHFFFAOYSA-N	231.255	1.041	50	40	BDGB	
O=C(Cl)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Cl	95736152	KANQIAARVSWKKG-RNGGSSJXSA-N	219.067	1.956	50	40	BDGB	
CNC(=O)/C(C#N)=C/c1ccc(N2CCCC2)o1	331923	RMRUSIUHCYATCX-CSKARUKUSA-N	245.282	1.533	50	40	BDGB	
O=S1(=O)C=C(Cl)[C@H](Br)C1	4280648	ZZGHEDGOLOYVHL-GSVOUGTGSA-N	231.498	1.259	50	40	BDGB	
CCO/N=C(\C)[C@H](C)SS(=O)(=O)O	5048388	AGSGVLMGOOFQBK-YXXZKMSWSA-N	227.307	1.323	50	40	BDGB	
CC1=C(C#N)C(N)=C2C(C)=C(C#N)C(N)=C12	5501428	WMFZIMVIYDKMKV-UHFFFAOYSA-N	210.240	1.119	50	40	BDGB	
N#CC1=C[C@H](c2ccccc2)[C@@H]2OC(=O)N[C@@H]2O1	13406458	PEJFPXVYSOHJBX-GRYCIOLGSA-N	242.234	1.642	50	40	BDGB	
N#CC1=C[C@@H]2CC[C@@H]1C(C#N)(C#N)C2(C#N)C#N	100436937	DZBBCDCSMLPFOW-QWRGUYRKSA-N	233.234	1.543	50	40	BDGB	
Cc1ccnn1CC(=O)N/N=C/c1cccs1	530105	KRYDWSIGSVKCSS-KPKJPENVSA-N	248.311	1.403	50	40	BDGB	
C[C@@]12CC[C@H](C(=O)C1=O)[C@@]2(C)CBr	100319392	YCFGJEUKLHTOAS-BDODKLCJSA-N	245.116	1.956	50	40	BDGB	
CCN(C(=O)CCl)[C@H]1CCCC[C@H]1N(C)C	79406600	FBHJEFCCGRIVEX-MNOVXSKESA-N	246.782	1.947	50	40	BDGB	
CCO[Si](CCS)(OCC)OCC	195767110	DVNPFNZTPMWRAX-UHFFFAOYSA-N	224.398	1.965	50	40	BDGB	
Nc1ccc2c(c1)C(=O)N[C@@H](CCCl)O2	4211922	PCYLDXMXEPSXFW-SECBINFHSA-N	226.663	1.346	50	40	BDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1	7782060	PAPQDKPEFSJUJQ-RSYJBZMQSA-N	247.298	1.051	50	40	BDGB	
COc1ccc(N/C=C(/C#N)C(N)=S)cc1	100364443	GXHBNWGDJHIASV-FPLPWBNLSA-N	233.296	1.801	50	40	BDGB	
Cc1oc(C(=O)O)cc1C(=O)CCl	62152126	ZGZNFCAAUDQIBP-UHFFFAOYSA-N	202.593	1.708	50	40	BDGB	in-vitro
CCOC(=O)/C(C#N)=C1\CCCCCN1	19855147	OIIXRHZKCPKQIV-MDZDMXLPSA-N	208.261	1.491	50	40	BDGB	
O=C(CCl)N1CCN(Cc2ccco2)CC1	37654131	PCRVDERZCRKTIF-UHFFFAOYSA-N	242.706	1.163	50	40	BDGB	in-vitro
C#CC1(OC[C@H](O)CCl)CCCCC1	5500204	BWQCDAAWFZZABM-SNVBAGLBSA-N	216.708	1.939	50	40	BDGB	
Nc1cc2c3c(cccc3c1O)C(=O)OC2=O	103622554	SJFVWWDXFVIHLQ-UHFFFAOYSA-N	229.191	1.438	50	40	BDGB	
O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	104130692	NCIFOAQKJBQKSO-OHBODLIOSA-N	242.230	1.156	50	40	BDGB	
Cc1cc(SCC(=O)NN)nc2ccccc12	15939086	ULKHELONFIUHCG-UHFFFAOYSA-N	247.323	1.625	50	40	BDGB	
Cc1cc2c(cc1/C=C(\C#N)C(N)=O)OCO2	38536877	MVLQPDTXZOUBHI-YCRREMRBSA-N	230.223	1.116	50	40	BDGB	
COc1ccc(C(=O)Cl)cc1-n1cnnc1	70461710	QWNPZZHNVUQHSU-UHFFFAOYSA-N	237.646	1.655	50	40	BDGB	
NNC(=O)c1ccc([N+](=O)[O-])c2ccccc12	72227012	HFSHGOXLTDRXGL-UHFFFAOYSA-N	231.211	1.352	50	40	BDGB	
O=Cc1ccnc(CBr)c1	199555489	JRDFPFCTBUBALG-UHFFFAOYSA-N	200.035	1.789	50	40	BDGB	
C[C@H]1CN(C(=O)[C@H](C)Cl)C[C@H](C)O1	15913987	CQXVMOSWWGTUHF-FXQIFTODSA-N	205.685	1.250	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1cccs1	32453	ZBARXLYVCNLMDC-XYOKQWHBSA-N	233.296	1.851	50	40	BDGB	
Cc1ccc(C(C)(C)C)c(OCC(=O)NN)c1	80666	YJAJTQYSRPZUQB-UHFFFAOYSA-N	236.315	1.661	50	40	BDGB	
CCOC(=O)NNC(=O)C1CCC(C)CC1	3894788	XIRDGODJHNSCGD-UHFFFAOYSA-N	228.292	1.590	50	40	BDGB	
COC(=O)NNC(=O)Nc1ccc(F)cc1F	6550063	XSQVNOCDZSLDLC-UHFFFAOYSA-N	245.185	1.357	50	40	BDGB	
CN(C)C1=NC[C@@H](CBr)S1	4462544	BJQQHLDEBIPOEE-RXMQYKEDSA-N	223.139	1.414	50	40	BDGB	
N#C/C(=C/n1c(=S)[nH]c2ccccc21)C(N)=O	17222516	COAHLGJAPVYRQB-SREVYHEPSA-N	244.279	1.549	50	40	BDGB	
N#C/C(=C/Nc1cccnc1)C(N)=S	100687019	OFFBAZMKZIXHGW-ALCCZGGFSA-N	204.258	1.187	50	40	BDGB	
O=C(O)[C@@H](Cl)[C@@H](C(=O)O)c1ccccc1	1753256	NGZHTYMBEZQKIN-YUMQZZPRSA-N	228.631	1.547	50	40	BDGB	
S=C1NC[C@H](CBr)S1	4831936	DLNIUHQNWQGBTL-VKHMYHEASA-N	212.137	1.371	50	40	BDGB	
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Cl	2650179	QGQFQOZYPDIRQG-CBAPKCEASA-N	202.685	1.668	50	40	BDGB	in-vitro
COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1C	59333797	WWMLVVMWVBEBKT-WQLSENKSSA-N	244.294	1.999	50	40	BDGB	
CC(C)NC(=S)NNC(=O)c1cccs1	7636454	JRMOUGVBTMMQMF-UHFFFAOYSA-N	243.357	1.265	50	40	BDGB	
O=C(CCl)Nc1nnc(-c2ccco2)o1	71378531	WMCUWNPKBHNFLX-UHFFFAOYSA-N	227.607	1.507	50	40	BDGB	in-vitro
Cc1nc2n(n1)C(=O)[C@@H](CCCl)S2	38700858	ZYPSXEHEBRENTL-RXMQYKEDSA-N	217.681	1.330	50	40	BDGB	
CCOC(=O)/C(C#N)=C\NCc1ccc(F)cc1	100944178	GJMRFKPGBZRRQX-LUAWRHEFSA-N	248.257	1.886	50	40	BDGB	
C[C@@](C#N)(CCl)OS(=O)(=O)CCCl	6482075	WNCULAUEBCYBJK-LURJTMIESA-N	246.115	1.093	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc(Cl)s1	12614070	QRVWNCQEOQVZGE-ONNFQVAWSA-N	217.681	1.794	50	40	BDGB	
NC(=O)N/N=C1/CCC[C@@H]1c1ccccn1	4450563	VSICCGSPJVOABD-PQKXBCETSA-N	218.260	1.373	50	40	BDGB	
BrCCCCn1ccnn1	575435728	XJALIPZJEROSJS-UHFFFAOYSA-N	204.071	1.453	50	40	BDGB	
NC(=O)N/N=C/[C@@H]1CCc2ccccc2C1	5539107	PRIOIBWJSYYYEU-MBBDXHFBSA-N	217.272	1.446	50	40	BDGB	
N#C/C(N)=C(\C#N)NC(=O)Nc1ccccc1	100429720	RNAYXSOGFOWMON-KTKRTIGZSA-N	227.227	1.026	50	40	BDGB	
N#C[C@@H](Cl)CNC(=O)Oc1ccccc1	1586851	XWLMBCKYIMKTHI-MRVPVSSYSA-N	224.647	1.906	50	40	BDGB	
CCOC(=O)NN=C(CCl)CCl	100244311	UHEKZJZLMQCVRQ-UHFFFAOYSA-N	213.064	1.566	50	40	BDGB	
CC(C)N1CCC(NC(=O)CCl)CC1	35229197	WSWDWLLPFIVRJB-UHFFFAOYSA-N	218.728	1.214	50	40	BDGB	in-vitro
CC(C)=NNC(=O)[C@@H]1COc2ccccc2O1	5377840	JCMZCWDKUZNROU-NSHDSACASA-N	234.255	1.338	50	40	BDGB	
CC(=O)N(C)N(C)C(=O)Cc1ccccc1	18193523	USMZCXRPQOOEQC-UHFFFAOYSA-N	220.272	1.081	50	40	BDGB	
CC(C)(C)Oc1ccc(CC(=O)NN)cc1	20134067	CHFWZXNCWFQQSC-UHFFFAOYSA-N	222.288	1.396	50	40	BDGB	
CC(C)(C)OC(=O)NC[C@@H](O)CCl	39093438	BCERVHZUVNOSNR-LURJTMIESA-N	209.673	1.111	50	40	BDGB	
COc1cccc(/C=C(\C#N)C(N)=S)c1	35404785	ZFBQIEHFBNWNAE-WEVVVXLNSA-N	218.281	1.888	50	40	BDGB	
O=C(Cl)c1cccc(-n2cnnc2)c1	70461699	LBCKUDPPTNNUNP-UHFFFAOYSA-N	207.620	1.646	50	40	BDGB	
C/C(=N/NC(=O)c1cc(C)n[nH]1)c1ccco1	13618363	RKWXXJMWTAMLTF-JYRVWZFOSA-N	232.243	1.465	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1	1847199	HWHSSDMQHDCVKU-NTEUORMPSA-O	234.323	1.151	50	40	BDGB	
C[C@@]1(CI)CCO1	104823244	XLLYWHZRDSACKA-YFKPBYRVSA-N	212.030	1.600	50	40	BDGB	
O=C1NC(=O)[C@H](c2ccccc2)[C@@H]1Cl	100552012	BIWSBXBZNXQEDE-SFYZADRCSA-N	209.632	1.034	50	40	BDGB	
CCOC(=O)[C@H](CCSC)N=C=O	5227725	IWXRXGRHXXLVHJ-ZETCQYMHSA-N	203.263	1.007	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccc2c(c1)OCO2	5381470	PYJHDWFARJFXQL-RIYZIHGNSA-N	246.266	1.666	50	40	BDGB	
IC[C@H]1CCCCO1	14983082	CEPXWUHXEXKVLW-ZCFIWIBFSA-N	226.057	1.991	50	40	BDGB	
Cc1noc(-c2cccn3c(CCl)nnc23)n1	96516533	URVZTBUOBHUGGF-UHFFFAOYSA-N	249.661	1.827	50	40	BDGB	
N#C/C(=C/c1ccncc1)C(=O)NC1CC1	96663302	SEEFOSZUIHDNJE-YFHOEESVSA-N	213.240	1.267	50	40	BDGB	
O=C(NCCCl)Nc1ccc(O)cc1	1704140	NZZVVOPZVQDMCB-UHFFFAOYSA-N	214.652	1.753	50	40	BDGB	
O=S1(=O)[C@@H]2CCC[C@@H]1[C@H](Cl)CC2	100364408	GBAMSMWXHXGKBX-BWZBUEFSSA-N	208.710	1.724	50	40	BDGB	
O=C(CI)C(F)(F)F	16158475	HUZDFTLSPONZBB-UHFFFAOYSA-N	237.946	1.553	50	40	BDGB	in-vitro
ClCCc1nnnn1-c1ccccc1	36378520	LQGMOBKRYYBVQB-UHFFFAOYSA-N	208.652	1.444	50	40	BDGB	in-vitro
N#Cc1c(NC(=O)CCl)[nH]c2c1CCCC2	4015331	LBCVJIMZUADLGQ-UHFFFAOYSA-N	237.690	1.942	50	40	BDGB	
C/C(=N\NC(N)=O)[C@H]1C[C@@H](CC(C)C)C(=O)O1	4728751	XGSGWQPVGYSNRK-CNPDAFSZSA-N	241.291	1.008	50	40	BDGB	
C[C@@H]1C=C(C#N)O[C@H](N2CCCC2=O)C1	4267418	FNQIWCGDICPDOC-KCJUWKMLSA-N	206.245	1.399	50	40	BDGB	biogenic
O=C1c2cn[nH]c2CC[C@H]1Br	72403677	NSHNLXSNAJJINC-RXMQYKEDSA-N	215.050	1.302	50	40	BDGB	
NNC(=O)c1cccc2c1-c1ccccc1C2=O	5903393	XMLBZKSMGZQELQ-UHFFFAOYSA-N	238.246	1.502	50	40	BDGB	
CC(=O)OC[C@@H](OC(C)=O)[C@H](Cl)CCl	1584844	IWWXQWGNLXJWIK-HTQZYQBOSA-N	243.086	1.327	50	40	BDGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1O	59333592	HWPXLYLTKYATLW-POHAHGRESA-N	246.266	1.396	50	40	BDGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C#N	100006046	DDTGWYDFGGLCIA-UHFFFAOYSA-N	206.157	1.392	50	40	BDGB	
CCS(=O)(=O)N1CCC(Cl)CC1	19782951	WHRHLRHQUZYJHY-UHFFFAOYSA-N	211.714	1.039	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1cc(O)ccc1O	408949696	FWVNNFIAWIHZIO-NTUHNPAUSA-N	234.255	1.348	50	40	BDGB	
CN(C1CC1)C1CCN(C(=O)CCl)CC1	79419216	FWVLXNLSXRQIBD-UHFFFAOYSA-N	230.739	1.310	50	40	BDGB	
NNC(=O)Cc1csc(Nc2ccccc2)n1	223449048	GCIDKEOTPFFRSM-UHFFFAOYSA-N	248.311	1.419	50	40	BDGB	
Cc1ccccc1[C@@H](O)[C@H](Cl)S(C)(=O)=O	96518881	BWYUVRLNJNKNHJ-NXEZZACHSA-N	248.731	1.638	50	40	BDGB	
C[C@@H](Br)[C@H](Br)CO	2022022	RZUXIYDMQGCCDD-QWWZWVQMSA-N	231.915	1.526	50	40	BDGB	
CCC1([N+](=O)[O-])COP(=O)(Cl)OC1	100276362	LEHXCUQPROLIOQ-UHFFFAOYSA-N	229.556	1.806	50	40	BDGB	
N#CC1=C2CCCN2c2ccccc2S1(=O)=O	67172849	UKCVCDHPAXCODD-UHFFFAOYSA-N	246.291	1.809	50	40	BDGB	
Cc1ccccc1/C=C(\C#N)S(C)(=O)=O	7714026	AMYOUFMYCHCZEM-YRNVUSSQSA-N	221.281	1.904	50	40	BDGB	
CC[C@](C)(C(=O)NN)N1C[C@@H](C)C[C@H](C)C1	35655779	JNHOQSQNKYKMOU-JBLDHEPKSA-N	227.352	1.123	50	40	BDGB	
Cc1ccc(C(=O)C/C=N/NC(N)=O)cc1	16291760	LBZUQSJTBCVOTQ-NTUHNPAUSA-N	219.244	1.222	50	40	BDGB	
CCOC/C(=N/NC(N)=O)c1ccccc1	16951892	QBIZUOHMEURWMH-RAXLEYEMSA-N	221.260	1.096	50	40	BDGB	
CC(=O)NN(C/C=C/Cl)C/C=C/Cl	17013942	DZPCAYHHIHMLNR-ZUVMSYQZSA-N	223.103	1.845	50	40	BDGB	
CCc1ccc(/C=N/NC(=O)OC)cc1	3471233	RHVWSOGGJGOAPV-XYOKQWHBSA-N	206.245	1.939	50	40	BDGB	
NC(=O)N/N=C1/C[C@@H]2CC[C@@H]1[C@@H]2Cl	104100278	MPUNFINCFBUCGI-DZBWCQOBSA-N	201.657	1.048	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12	100366515	VFNYTWHRVSBLAG-YOLLMIJGSA-N	205.261	1.243	50	40	BDGB	
Cc1ccc(NC(=O)NNc2cnccn2)cc1	45031243	LJOHAGKMAYKSQI-UHFFFAOYSA-N	243.270	1.934	50	40	BDGB	
CCCOc1cccc(/C=C(/C#N)C(N)=O)c1	33434108	GZMROXLTQDOGIM-XFFZJAGNSA-N	230.267	1.868	50	40	BDGB	
COC(=O)c1cc(Cl)nc(CCCl)n1	96524165	LJTQIFXVXAVYEG-UHFFFAOYSA-N	235.070	1.698	50	40	BDGB	
O=C=Nc1ccc([C@@H]2CNCCO2)c(F)c1	95079918	CHPUPBFNQFLMIY-NSHDSACASA-N	222.219	1.454	50	40	BDGB	
CC1=C(C#N)C(=N)O[C@@]1(C)[C@@H]1CC(=O)C=CC1=O	5759977	CQBBLLLOEBHVOC-ZWNOBZJWSA-N	244.250	1.307	50	40	BDGB	
Cc1cc([N+](=O)[O-])nn1CCCC(=O)Cl	12357634	FMUCPHUJXFTANH-UHFFFAOYSA-N	231.639	1.645	50	40	BDGB	
CCSC(=O)NNC(=O)c1ccncc1	1691331	ZQGCSLMASLAFFE-UHFFFAOYSA-N	225.273	1.189	50	40	BDGB	
COc1cc(/C=N/NC(C)=O)ccc1OCC#N	6595981	UXUYVVJDCNKMEY-RIYZIHGNSA-N	247.254	1.068	50	40	BDGB	
CC(C)C(=O)N/N=C\c1cccc(O)c1	58885396	DIXNBWZZMUPXMJ-GHXNOFRVSA-N	206.245	1.498	50	40	BDGB	
NC(=O)N/N=C1\CCC[C@@H]1c1ccccn1	12524491	VSICCGSPJVOABD-OATQHOELSA-N	218.260	1.373	50	40	BDGB	
O[C@@H](CBr)COCc1ccccc1	72099147	VWASIEISPISOIQ-JTQLQIEISA-N	245.116	1.959	50	40	BDGB	in-vitro
NNC(=O)c1ccc2c3c(cccc13)CC2	45923283	NHIUSZPHRBWTSY-UHFFFAOYSA-N	212.252	1.542	50	40	BDGB	
CO/N=C/C(C#N)=C/c1ccccc1O	3047049	GELRBZUDSVEOSC-IMWXLZLDSA-N	202.213	1.931	50	40	BDGB	
Cc1cccc2c1N(CCCl)C(=O)/C2=N\O	5730767	VHNRWELESGEBTI-LCYFTJDESA-N	238.674	1.759	50	40	BDGB	
CCOC/C(=N\NC(N)=O)c1ccccc1	5539151	QBIZUOHMEURWMH-JLHYYAGUSA-N	221.260	1.096	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21	100366518	VFNYTWHRVSBLAG-YRAUHKOWSA-N	205.261	1.243	50	40	BDGB	
COc1ccccc1/C(C)=N/NC(N)=O	4962773	XRBFOKZSNUJTLB-KPKJPENVSA-N	207.233	1.088	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccc(F)cc1	36067738	MXYGDONINJRUDU-QPEQYQDCSA-N	208.236	1.932	50	40	BDGB	
NC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	38367105	WHWUZXZZPQKUFJ-WCIBSUBMSA-N	242.622	1.250	50	40	BDGB	
C[C@@H](Cl)C(=O)Nc1cc(C=O)ccc1O	41104772	ZWTHDASQZCAKGH-ZCFIWIBFSA-N	227.647	1.771	50	40	BDGB	
O=COC[C@H](Br)C(F)(F)F	1083809183	UPNGXFPGEXRUFO-VKHMYHEASA-N	220.972	1.485	50	40	BDGB	
O=C1N[C@H](c2ccc(F)c(Cl)c2)C(=O)O1	1772714628	AEYHLNZENVPCNK-SSDOTTSWSA-N	229.594	1.787	50	40	BDGB	
CN(C)[C@H](CNC(=O)CCl)c1ccccc1	2650722	RWCNXEVVCHMBOK-LLVKDONJSA-N	240.734	1.644	50	40	BDGB	in-vitro
O=C(C1CC1)[C@H](Cl)C(=O)C(F)(F)F	100496766	OSGVVEFMWJWPBV-BYPYZUCNSA-N	214.570	1.704	50	40	BDGB	
N#C/C(=C\c1ccncc1)C(=O)N1CCCC1	253445790	HXWDHCXAEIZIFS-FMIVXFBMSA-N	227.267	1.611	50	40	BDGB	
CC(=O)Nc1ccc(/C=N/NC(=O)CC#N)cc1	138616	QBGPTGASSRJZQA-RIYZIHGNSA-N	244.254	1.009	50	40	BDGB	
CC(C)C(=O)N/N=C/c1ccc(C(=O)O)cc1	13352897	OMUKWUTYUXCDQX-NTUHNPAUSA-N	234.255	1.491	50	40	BDGB	
NNC(=O)c1cc2c(Cl)cccc2[nH]1	19735955	ZDDHOJFMLAWOJG-UHFFFAOYSA-N	209.636	1.425	50	40	BDGB	
CC(C)(O)/C(=C\C#N)n1c(=O)oc2ccccc21	4509154	XAHHAUVMXBTGPM-YRNVUSSQSA-N	244.250	1.730	50	40	BDGB	
O=C(NN=C(CCl)CCl)C1CC1	100244293	GFJVNSFKRCXONN-UHFFFAOYSA-N	209.076	1.346	50	40	BDGB	
Cc1ccc(C[C@H](C#N)C(N)=C(C#N)C#N)cc1	6565334	XJCIWJVUIOKHDP-GFCCVEGCSA-N	236.278	1.937	50	40	BDGB	
CN(C(=O)CCl)[C@H]1CCCC[C@H]1N(C)C	79406489	GEDTZOHWUJUPHH-ZJUUUORDSA-N	232.755	1.556	50	40	BDGB	
CN(Cc1ccc(Cl)nc1)C(=O)CCl	79421668	HHRYVLFGIVVTNA-UHFFFAOYSA-N	233.098	1.932	50	40	BDGB	
CN(N)P(=O)(c1ccccc1)c1ccccc1	41018	MBYKDUGAFCUNQK-UHFFFAOYSA-N	246.250	1.721	50	40	BDGB	
O=C1CN(C(=O)CCl)c2ccccc2N1	3886029	RNGJPXOEWSLROI-UHFFFAOYSA-N	224.647	1.211	50	40	BDGB	in-vitro
O=C(Nc1ncccn1)C(Cl)Cl	1627378	WBYUFCJDLOQCJH-UHFFFAOYSA-N	206.032	1.219	50	40	BDGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1	3009144	LMLWECWDUNHTDM-XNTDXEJSSA-N	247.298	1.053	50	40	BDGB	
C/C(CCc1ccccc1)=N/NC(N)=O	4974541	CWBVVWLLJCWSSP-LCYFTJDESA-N	205.261	1.663	50	40	BDGB	
O=C1O[C@@H]2[C@H](Br)[C@@H]3C[C@H]1[C@H]2C3	4974526	ZFCNOHNDCYYXIK-FHKSGDNWSA-N	217.062	1.331	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(C#N)cc1	6538296	AZIXGCTUDHQAEM-NTUHNPAUSA-N	239.278	1.990	50	40	BDGB	
CCOc1ccc(C(=O)NN)cc1Cl	113703794	SGOASKPXOSSWTQ-UHFFFAOYSA-N	214.652	1.342	50	40	BDGB	
C[C@H](Cl)CN1CCN(C[C@@H](C)Cl)CC1	19369052	FCEMDHCGQHZZKJ-AOOOYVTPSA-N	239.190	1.859	50	40	BDGB	
O=C(N/N=C/c1ccc(F)cc1)c1cccnc1	254234	FTCSKDYYNCPRRG-LZYBPNLTSA-N	243.241	1.985	50	40	BDGB	
CCC(=O)OC[C@@H](CCl)OC(=O)CC	2045420	GKBJJKSFBRKTIY-SSDOTTSWSA-N	222.668	1.500	50	40	BDGB	
BrCCCCN1CCOCC1	40989633	GWQGELINXUPUQN-UHFFFAOYSA-N	222.126	1.494	50	40	BDGB	
O=[N+]([O-])c1ccccc1OC[C@@H](O)CCl	6513988	JLWYUYUMWOZWBL-ZETCQYMHSA-N	231.635	1.573	50	40	BDGB	
Cn1c2c(c3ccccc31)CC(=O)OC2=O	100059080	SKOXVNIBOOHGLR-UHFFFAOYSA-N	215.208	1.418	50	40	BDGB	
C/C(=N\NC(N)=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[C@@H]3[C@@H]2Cl	104073179	YABHNBJBEIKGSH-RFAKUJPYSA-N	227.695	1.150	50	40	BDGB	
CCNC(=S)NNC(=O)c1ccc(C)cc1	2388566	QSWNBNLTVAZSFX-UHFFFAOYSA-N	237.328	1.124	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/Oc2ccccc2N1C	6242086	WFXODXGXURTYNR-FMIVXFBMSA-N	244.250	1.813	50	40	BDGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccccn1	227888	GJOMAGMNXWODMT-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
Cc1cccc(C(=O)O)c1NC(=O)CCl	8754362	BOTBQDIFXCKZQA-UHFFFAOYSA-N	227.647	1.871	50	40	BDGB	in-vitro
CCn1cccc1/C=N\NC(=O)c1ccco1	408930820	CMTMPTWJXMHSOI-LCYFTJDESA-N	231.255	1.865	50	40	BDGB	
CN(C)/C=C(/C#N)C(=O)Nc1ccc(F)cc1	33285973	VFNBJZDUYCFFLY-HJWRWDBZSA-N	233.246	1.733	50	40	BDGB	
Cc1cc(O)ccc1N(C)C(=O)CCl	199756099	JLSFYYOVJWKPMN-UHFFFAOYSA-N	213.664	1.902	50	40	BDGB	
C[C@H](NC(=O)NCCCl)c1ccco1	6030435	GVNVIVMTQBZAKT-ZETCQYMHSA-N	216.668	1.879	50	40	BDGB	
N#C/C(=C\Nc1nc2c(s1)CCCC2)C(N)=O	12062385	WIHRJVFWZHZBCD-VOTSOKGWSA-N	248.311	1.327	50	40	BDGB	
O=C(NNc1ccccc1)c1ccccc1CO	977108	LYXFJKXHZUSLMN-UHFFFAOYSA-N	242.278	1.936	50	40	BDGB	
O=C1ON=C(CCl)[C@H]1Cc1ccc(O)cc1	102403978	UZRILJLZDJAQRF-SECBINFHSA-N	239.658	1.703	50	40	BDGB	
O=C(Cl)c1ccc([N+](=O)[O-])c(O)c1	34514881	GJIZHYHGIAPLJN-UHFFFAOYSA-N	201.565	1.679	50	40	BDGB	
O=C(O)CN1CCCC[C@H]1CBr	79390358	TVMQRSHOXFFHMT-ZETCQYMHSA-N	236.109	1.320	50	40	BDGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NNC(N)=O	5732645	BVAYWSNJYXABFK-LPEHRKFASA-N	213.325	1.620	50	40	BDGB	
CC(=O)Nc1cccc(/C(C)=N/NC(N)=O)c1	16939565	VSHZJOXCZCAAJU-VGOFMYFVSA-N	234.259	1.037	50	40	BDGB	
O=C[C@H](Br)/C=N/c1nccs1	100446542	AAAXJPLFDZTYTN-YRQANVMGSA-N	233.090	1.808	50	40	BDGB	in-vitro
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)c(C)o1	26991634	SNDNIAWUMHSLHW-RCOVLWMOSA-N	236.271	1.313	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)Nc1ccccc1	29764045	DKQRAHUZMNXWFV-MDZDMXLPSA-N	215.256	1.594	50	40	BDGB	
O=C(N/N=C1/CN2CCC1CC2)c1cccs1	4828524	NNDWAKPATRPAGY-RAXLEYEMSA-N	249.339	1.560	50	40	BDGB	
CC(=O)N(N=O)c1ccccc1[N+](=O)[O-]	4962192	YIIIZFFSOSHXPF-UHFFFAOYSA-N	209.161	1.629	50	40	BDGB	
CCOC(=O)[C@H]1[C@@H](/C=C(\C)C=O)C1(C)C	59866134	NZCQSUAYJCWCDR-IZRRHEBBSA-N	210.273	1.967	50	40	BDGB	
Fc1cccc(-n2nnnc2CCl)c1	26422831	HQVOYNOGTZRUEH-UHFFFAOYSA-N	212.615	1.540	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1cccs1	2313852	ZLDJJSDUNPGEFI-VQHVLOKHSA-N	236.296	1.418	50	40	BDGB	
COC(=O)c1cc(C(=O)Cl)n(C(C)C)n1	408717551	HJWQNAFXCPQUEL-UHFFFAOYSA-N	230.651	1.630	50	40	BDGB	
C[C@H]1CN1P(=O)(N1C[C@@H]1C)N1C[C@H]1C	70666021	AVUYXHYHTTVPRX-ZTKLSCLFSA-N	215.237	1.207	50	40	BDGB	in-vitro
O=C(Br)[C@@H](F)C(F)(F)F	2524526	ROEJWJRJEMOALT-PVQJCKRUSA-N	208.936	1.808	50	40	BDGB	
O=C1NC2(CCCCC2)C(=O)N1CCCl	5063165	BNSSNUHBZCULQA-UHFFFAOYSA-N	230.695	1.480	50	40	BDGB	
COc1cccc(C(=O)N/N=C/c2ccc[nH]2)c1	4588413	OYGDVHDUIPDESR-OQLLNIDSSA-N	243.266	1.787	50	40	BDGB	
CCO[C@H]1OCCC[C@@H]1Br	1615493	MKDZXJPQACWMSP-BQBZGAKWSA-N	209.083	1.923	50	40	BDGB	
CC(=O)NC1CCC(Br)CC1	1765206	INTANGNJYBYUJG-UHFFFAOYSA-N	220.110	1.829	50	40	BDGB	
C/C(=N/NC(=O)c1cc(C)n[nH]1)c1ccncc1	15854682	ODBBYZJRIZXJDG-DHDCSXOGSA-N	243.270	1.267	50	40	BDGB	
Cc1nccn1CC(=O)N/N=C\c1ccccc1	33322784	AVHFUJVAKAOVPA-DHDCSXOGSA-N	242.282	1.342	50	40	BDGB	
CC(C)N(CC(=O)c1ccc[nH]1)C(=O)CCl	79436491	CNUVASAJTHTZEC-UHFFFAOYSA-N	242.706	1.673	50	40	BDGB	
CC(C)N(C)C[C@H]1CCCCN1C(=O)CCl	79419156	ZVAJMDVBNVFWOV-LLVKDONJSA-N	246.782	1.947	50	40	BDGB	
NC(=O)N/N=C1\C[C@@H]2CC[C@H]1[C@@H]2Cl	5031356	MPUNFINCFBUCGI-KGWJEPTMSA-N	201.657	1.048	50	40	BDGB	
N#CC(C#N)=CN1CCNc2ccccc21	1575686	XXIPPLGEGYAZAI-UHFFFAOYSA-N	210.240	1.850	50	40	BDGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)O	6513688	PRKAGXBESHYXLI-YVMONPNESA-N	218.168	1.586	50	40	BDGB	
CCCCNP(=O)(N1C[C@@H]1C)N1C[C@@H]1C	104373110	MNJWJJQISCMYRF-YYQOKVQXSA-N	231.280	1.892	50	40	BDGB	
CC(C)n1c(Cc2ccco2)ccc1C(=O)NN	226031583	NQIQUYKAZZUJMW-UHFFFAOYSA-N	247.298	1.856	50	40	BDGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(N)=O	12341390	ARWUPVNRNOJYFE-XBXARRHUSA-N	236.658	1.741	50	40	BDGB	
O=C(NNC(=O)C1CCCCC1)c1ccco1	260057	XCTUVVQFHNUTKU-UHFFFAOYSA-N	236.271	1.621	50	40	BDGB	
CCOC(=O)N/N=C/c1ccccc1OC	1712983	GWJNBTHQZOSHRS-XYOKQWHBSA-N	222.244	1.775	50	40	BDGB	
CNC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	7209688	RSGKRJWWOSNRES-WEVVVXLNSA-N	231.211	1.248	50	40	BDGB	
Cc1cccc(/C=C(/C#N)C(=O)N(C)C)c1	408859553	VCPMNTSAQGFTQS-WQLSENKSSA-N	214.268	1.990	50	40	BDGB	
COC(=O)COc1ccc(C(=O)Cl)cc1	70461263	IICFBQQVVDPOHE-UHFFFAOYSA-N	228.631	1.617	50	40	BDGB	
CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1	5282429	CUWMZNLTZFWPIG-YRNVUSSQSA-N	221.216	1.455	50	40	BDGB	
O=C(CCl)Cc1ccccc1[N+](=O)[O-]	47219201	ICBOLZDNMKRQDV-UHFFFAOYSA-N	213.620	1.945	50	40	BDGB	
CNC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	574674	SLYYBXBMZCLBQL-KPKJPENVSA-N	240.262	1.658	50	40	BDGB	
COc1ccc([N+](=O)[O-])cc1/C=C\C=O	17424375	QBMUNVBXMCDJGG-IHWYPQMZSA-N	207.185	1.816	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccncc1	175645	KDQVQTMHLLRGMH-RIYZIHGNSA-N	214.228	1.174	50	40	BDGB	
NNC(=O)c1cccn1-c1ccc(F)cc1	110585	PXYUJOHOMKLAHI-UHFFFAOYSA-N	219.219	1.220	50	40	BDGB	
Cc1cc(C(=O)NN)ccc1Br	2567823	BFJALHSTCHFUMF-UHFFFAOYSA-N	229.077	1.361	50	40	BDGB	in-vitro
COCCN(C(=O)CCl)c1ccccc1	2001556	XXHDEGBANPQHAA-UHFFFAOYSA-N	227.691	1.905	50	40	BDGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1nc[nH]n1	6857278	SNHVJKSLHIVKOC-ALCCZGGFSA-N	219.248	1.239	50	40	BDGB	
CCCn1cc(C(=O)NN)c(=O)c2ccccc21	223455670	NRRHKQRMFGVVIJ-UHFFFAOYSA-N	245.282	1.015	50	40	BDGB	
Cc1cccc(C(=O)[C@H](Cl)S(C)(=O)=O)c1	96517775	XKPCPAWYJUOBDA-SNVBAGLBSA-N	246.715	1.787	50	40	BDGB	
COc1cc(O)c(C(=O)CCl)c(OC)c1O	1569583	WDTXHFJWLCPJMR-UHFFFAOYSA-N	246.646	1.537	50	40	BDGB	
Cn1cccc1CC(=O)N/N=C\c1ccc[nH]1	36254066	UBHWCMICKFMMAH-ZROIWOOFSA-N	230.271	1.046	50	40	BDGB	
CC(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)CCl	79417006	MFDRIYREDBHJTD-NXEZZACHSA-N	246.738	1.131	50	40	BDGB	
CC1(C)COc2ccc(C(=O)NN)cc2OC1	225362673	QADAQPLNJVPEEC-UHFFFAOYSA-N	236.271	1.088	50	40	BDGB	
CCOC(=O)/C=C/CI	1561430	LGYZOJAAYSPBDU-ONEGZZNKSA-N	240.040	1.541	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)CC#N)s1	6301918	ISJMZANLVQROCY-IZZDOVSWSA-N	207.258	1.420	50	40	BDGB	
NNC(=O)Cc1nc2cc(Cl)ccc2o1	559684	BELLZGLDCSGVNG-UHFFFAOYSA-N	225.635	1.014	50	40	BDGB	
CCC[C@@H](Oc1ccc(Cl)cc1)C(=O)NN	7262940	KPFFKZYYMSHHOG-SNVBAGLBSA-N	242.706	1.877	50	40	BDGB	
CC(=O)NNC(=O)c1ccccc1/N=N\N(C)C	104189312	FQDJWHJXBJLHQA-SQFISAMPSA-N	249.274	1.028	50	40	BDGB	
Cc1nn(C)c2[nH]c(=O)c(Cl)c(CCl)c12	16973145	UMAGWCHZIPCKTM-UHFFFAOYSA-N	246.097	1.962	50	40	BDGB	
O=C(CCCCl)NNC(=O)c1cccs1	32119022	CLGZBKZVSYLGJC-UHFFFAOYSA-N	246.719	1.528	50	40	BDGB	
O=CC1=C(Cl)N(CC(F)F)C(=O)CC1	257197781	JDHJYEUTDUDPGI-UHFFFAOYSA-N	223.606	1.523	50	40	BDGB	
O=C(CBr)OC[C@H]1CCCO1	5600270	HONCKUXBCCXBBB-ZCFIWIBFSA-N	223.066	1.104	50	40	BDGB	
COP(=O)(OC)[C@@H](O)C(Cl)Cl	1697666	SJZJHMWQLCCOOR-SCSAIBSYSA-N	222.992	1.594	50	40	BDGB	
CO/C(N)=C(C#N)\N=C/c1ccccc1	104313799	IWTPAHMQALWGHK-CONYBLHQSA-N	201.229	1.403	50	40	BDGB	
O=C(N/N=C\c1ccncc1)c1ccccn1	33089267	FTZLTODDAJZVQA-DHDCSXOGSA-N	226.239	1.241	50	40	BDGB	
O=C(CCl)NCc1c(F)cccc1F	43830399	IIJIGOITGCLHHQ-UHFFFAOYSA-N	219.618	1.820	50	40	BDGB	
OCc1ccc(CBr)nc1	199524418	JPMRSUKBXGEMRZ-UHFFFAOYSA-N	202.051	1.469	50	40	BDGB	
CCOC(=O)/C(C#N)=C\C=C1C=CN(C)C=C1	13471803	AXXFEWVWZFNYQV-XGICHPGQSA-N	230.267	1.899	50	40	BDGB	
N#C[C@H](Cl)CS(=O)(=O)c1ccccc1	339645	IWXBVRBZXCRQEB-QMMMGPOBSA-N	229.688	1.591	50	40	BDGB	
COc1ccc(OCC(=O)NNC(C)C)cc1	1021623	VZWXHOMBOONTBM-UHFFFAOYSA-N	238.287	1.103	50	40	BDGB	
CCn1nc(C(=O)OC)cc1C(=O)Cl	408717436	AACNLUSWHDVIQD-UHFFFAOYSA-N	216.624	1.069	50	40	BDGB	
CCO[C@H]1OC(C#N)=CC[C@H]1Br	4267766	FVEVVLHSCTXKGH-SFYZADRCSA-N	232.077	1.940	50	40	BDGB	biogenic
NNC(=O)/C=C/c1ccccc1Br	37388044	YVPMOIDWAHYQGT-AATRIKPKSA-N	241.088	1.452	50	40	BDGB	
CN1CCC[C@@H](CN(C(=O)CCl)C2CC2)C1	79406749	WRYKLURJTNZUMC-SNVBAGLBSA-N	244.766	1.558	50	40	BDGB	
Cc1ccc(C)c([C@H]2NC(=O)OC2=O)c1	1772714748	QBDQUBPCOBTVAJ-SECBINFHSA-N	205.213	1.611	50	40	BDGB	
O=C(NNc1ccccc1)C1CCNCC1	204305302	KPVMBQVPNHVNJM-UHFFFAOYSA-N	219.288	1.129	50	40	BDGB	
CCOC(=O)NNC(=O)Cc1ccccc1F	21771555	MZGUNBOUIRHLKN-UHFFFAOYSA-N	240.234	1.146	50	40	BDGB	
C/C(Nc1ccc(F)cc1)=C(/C#N)C(N)=O	4325750	QQZRHRYXZHXHHR-JXMROGBWSA-N	219.219	1.520	50	40	BDGB	
CC1=C(C#N)C2(CCN(C)CC2)C(C#N)=C(C)N1	31715795	TVLPIEPXICKFSN-UHFFFAOYSA-N	242.326	1.897	50	40	BDGB	
CC(C)c1cccc2c(N)c(C(=O)NN)cnc12	64873750	QERNJIMYQXUVFR-UHFFFAOYSA-N	244.298	1.544	50	40	BDGB	
CCOC(=O)NNC(=O)c1sccc1C	36310131	GTNRTQQNPMEBPQ-UHFFFAOYSA-N	228.273	1.447	50	40	BDGB	
C#CCOc1ccc(/C=C(\C#N)C(N)=O)cc1	95952250	PHJTXRZYYRBQLH-DHZHZOJOSA-N	226.235	1.091	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)c2ccccn2)o1	49957	JZPFBYGLYSLYFL-RIYZIHGNSA-N	229.239	1.747	50	40	BDGB	
COC(=O)c1ccc(C=C(C#N)C#N)cc1	267551	FBOCHORMPUIPSN-UHFFFAOYSA-N	212.208	1.904	50	40	BDGB	
CC(=O)n1cc(/C=N/NC(N)=O)c2ccccc21	236452	RPZHNDCMBRLKCB-MKMNVTDBSA-N	244.254	1.304	50	40	BDGB	
N#CSCc1ccc(O)c(C(=O)O)c1	1577723	NLGOHSDNHHRIEA-UHFFFAOYSA-N	209.226	1.805	50	40	BDGB	
CCCCC[C@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)NN	3141243	PPCFHJICCBNMPT-SRVKXCTJSA-N	240.347	1.500	50	40	BDGB	
C[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2	3316817	YTMODFCWNOUDOG-ZCFIWIBFSA-N	227.647	1.981	50	40	BDGB	in-vitro
C/C(=C/C(=O)c1ccccc1)NNC(=O)C1CC1	408958196	XRXQETQCOAWKMX-KTKRTIGZSA-N	244.294	1.804	50	40	BDGB	
N#C/C(=C\c1ccccn1)C(=O)N1CCCC1	253448429	SQNYADSWPFOWQW-PKNBQFBNSA-N	227.267	1.611	50	40	BDGB	
CC(C)Oc1nccc(C(=O)NN)c1Cl	725326078	RSUDWIKFSIOHNA-UHFFFAOYSA-N	229.667	1.126	50	40	BDGB	
C/C(=N\NC(=O)c1cnccn1)c1cccs1	12362580	AENMUEMRRIRMLH-RIYZIHGNSA-N	246.295	1.692	50	40	BDGB	
C=CCn1ccc(=NC=C(C#N)C#N)cc1	16138517	BEPJXWFHSFTJFW-UHFFFAOYSA-N	210.240	1.506	50	40	BDGB	
COc1cc(O)c(C=C(C#N)C#N)c(OC)c1	6169907	NBHCIRJWWGIZKV-UHFFFAOYSA-N	230.223	1.840	50	40	BDGB	
NNC(=O)c1ccc(COCC(F)(F)F)cc1	2750877	PWXVJVTYJJENEC-UHFFFAOYSA-N	248.204	1.369	50	40	BDGB	
CNC(=O)/C(C#N)=C/c1c[nH]c2ncccc12	5909978	ZUPDOFVDAVADLB-VMPITWQZSA-N	226.239	1.216	50	40	BDGB	
O=C(Cl)c1cc([N+](=O)[O-])ccc1O	39215863	FMEWLYXGAMCQSC-UHFFFAOYSA-N	201.565	1.679	50	40	BDGB	
CCC(=O)N(C)N(C)C(=O)/C=C/c1ccccc1	18193547	CAXJIBZCEUKPOR-ZHACJKMWSA-N	246.310	1.942	50	40	BDGB	
CC1(C)CC2(CC(C)(C)N1O)NC(=O)OC2=O	73406838	YZRJCFCIQDKURD-UHFFFAOYSA-N	242.275	1.034	50	40	BDGB	
CS(=O)(=O)C1[C@@H]2CCC[C@H]1C2Cl	12341682	CEUPCBDHUWSNRW-XEDAXZNXSA-N	208.710	1.437	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C/c1cccc(O)c1	6827464	XIFDLZVZTSXQNT-IZZDOVSWSA-N	230.267	1.824	50	40	BDGB	
NNC(=O)Nc1ccc(Br)cc1	34559261	UCRZHEPROLFSAB-UHFFFAOYSA-N	230.065	1.444	50	40	BDGB	in-vitro
O=C(N/N=C/c1ccc[nH]1)c1cccc(O)c1	3580540	PDOUIUUQXLRRRK-RIYZIHGNSA-N	229.239	1.484	50	40	BDGB	
IC[C@H]1CCCCN1	72194514	NXUZCTVWPHDCHI-ZCFIWIBFSA-N	225.073	1.564	50	40	BDGB	
C=CCn1c(CCC(C)C)ccc1C(=O)NN	226025168	XVXBWPPINCZOHJ-UHFFFAOYSA-N	235.331	1.866	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)Cn2nccc2C)o1	139074	YNPAHIMZCXEOLG-NTUHNPAUSA-N	246.270	1.243	50	40	BDGB	
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(F)cc1	12623030	VYFXJZDLUYQMMK-GMSGAONNSA-N	236.246	1.243	50	40	BDGB	
CCCC(=O)NNC(=O)CCc1ccccc1	5857673	XMMHTAQGOZMNSN-UHFFFAOYSA-N	234.299	1.567	50	40	BDGB	
C[C@H]1CCc2sc(C(=O)NN)cc2C1	2536927	OXNMMXRMVHHCBQ-LURJTMIESA-N	210.302	1.476	50	40	BDGB	in-vitro
CCc1ccccc1NC(=O)C(=O)NN=C(C)C	6489976	IGZMZUPFMBJDEU-UHFFFAOYSA-N	247.298	1.700	50	40	BDGB	
O=C1N[C@]2(CCc3ccccc32)C(=O)O1	104575385	DKSTXLMDHUKADW-NSHDSACASA-N	203.197	1.095	50	40	BDGB	
COC(=O)/C(C#N)=C\c1c(C)nn(C)c1C	16970328	TULPIQCRFRLTLM-UITAMQMPSA-N	219.244	1.117	50	40	BDGB	
O=C(Cl)c1cc(=O)[nH]c2ccccc12	21985907	JVXMGJKPFSKMKM-UHFFFAOYSA-N	207.616	1.907	50	40	BDGB	
COc1cccc(CN(C)C(=O)CCl)c1	3444682	FLRJYXOMRJLWLV-UHFFFAOYSA-N	227.691	1.892	50	40	BDGB	in-vitro
C=CCNC(=S)NNC(=O)CCCCCC	6782968	VPWQGAFKTKLLEO-UHFFFAOYSA-N	243.376	1.638	50	40	BDGB	
C[C@@H](c1ccccn1)N(C)C(=O)CCl	79421763	ONQPGWHXXRKVNN-QMMMGPOBSA-N	212.680	1.840	50	40	BDGB	
Cc1cc(C(=O)NN)cn1C1CCCC1	223750463	TUZCJIBVTUOWIX-UHFFFAOYSA-N	207.277	1.515	50	40	BDGB	
CC(=O)Nc1ccnc(O[Si](C)(C)C)n1	195859182	KMMZFCGPXXCJFO-UHFFFAOYSA-N	225.324	1.649	50	40	BDGB	
Br[C@H]1CC[C@H](Br)NC1	100057984	HCTZZEWTUFVJMV-CRCLSJGQSA-N	242.942	1.854	50	40	BDGB	
Cc1n[nH]c2c1[C@@H](CC(C)C)C(C#N)=C(N)O2	6663969	PGBUKEQJTAYWET-QMMMGPOBSA-N	232.287	1.934	50	40	BDGB	
C#C[C@](C)(CC)OC[C@H](CCl)OC[C@@H]1CO1	4860499	JIESFYGQVNFHGZ-QJPTWQEYSA-N	246.734	1.828	50	40	BDGB	
O=C1[C@@H](CCCl)Sc2ncnn21	38700854	ZHVQDVGOEZNQLY-SCSAIBSYSA-N	203.654	1.022	50	40	BDGB	
NC(=O)N/N=C\c1ccccc1Br	33399556	YAMGYPUYYIRGSK-WZUFQYTHSA-N	242.076	1.451	50	40	BDGB	
C=C(C)CNC(=S)NNC(=O)OC(C)(C)C	6262230	URGBZQRTBSDCOV-UHFFFAOYSA-N	245.348	1.466	50	40	BDGB	
COC(=O)SS(=O)(=O)c1ccccc1	1676167	SYPLPLCFYYEYSR-UHFFFAOYSA-N	232.282	1.875	50	40	BDGB	
Cc1ccc(/C=C(/C#N)C(=O)NC(N)=O)s1	409241746	UMDYWPITMRINSW-DAXSKMNVSA-N	235.268	1.158	50	40	BDGB	
CCOc1ccccc1/C=N\NC(=O)C1CC1	31649130	SMAGFBBEGWRXFK-ZROIWOOFSA-N	232.283	1.945	50	40	BDGB	
CC(=O)N1CCC(C(=O)CCl)CC1	32010220	DFHJQUDYTRHOOT-UHFFFAOYSA-N	203.669	1.053	50	40	BDGB	
O=C(CN1CCCCC1)N/N=C/c1cccnc1	5205592	PAAOHNILABEUBO-XNTDXEJSSA-N	246.314	1.018	50	40	BDGB	
O=C(N/N=C\c1cccs1)[C@@H]1CCCO1	5329534	DFUFOHVRWXRVBA-MKVDPYIPSA-N	224.285	1.377	50	40	BDGB	
C[C@@H](c1ccccc1)[C@@H]1CC(=O)OC1=O	100231758	PWSNISILRLHKNE-WPRPVWTQSA-N	204.225	1.880	50	40	BDGB	
O=C(CCl)NC[C@H]1COc2ccccc2O1	535154	PTFGDIIPBTVOFQ-QMMMGPOBSA-N	241.674	1.181	50	40	BDGB	in-vitro
CN(C)P(=O)(Nc1ccccn1)N(C)C	104116721	OBSBIQFEJKUHQX-UHFFFAOYSA-N	228.236	1.725	50	40	BDGB	
CCCCC(=O)Nc1ccc(C(=O)NN)cc1	7260905	SASGQRONSNPYIP-UHFFFAOYSA-N	235.287	1.419	50	40	BDGB	
N#CCC[C@H]1CCCC/C1=N\NC(=O)CC#N	408719266	AWMWYKULULWSMF-YMQUWAGYSA-N	232.287	1.866	50	40	BDGB	
O=C(N/N=C\c1cccc(O)c1)c1ccncc1	31483838	WJVBIMBJLVWPNE-DHDCSXOGSA-N	241.250	1.551	50	40	BDGB	in-vitro
C[C@@H]1CC(C)(C)N(CC(=O)NN)c2ccccc21	223189135	QHJTXOFBDYCBCH-SNVBAGLBSA-N	247.342	1.769	50	40	BDGB	
O=C(O)[C@@H]1[C@@H]2C[C@H](Cl)[C@@H]1CC21OCCO1	254411023	KLBCJXDWJFIPSO-XAMCCFCMSA-N	232.663	1.078	50	40	BDGB	
CCCCCC(=O)N/N=C\CCCCO	5048491	FABXOLMMFKGCGC-XFXZXTDPSA-N	214.309	1.831	50	40	BDGB	
COC(=O)CCCCCCC/C=N\NC(N)=O	5538941	YRPRVKRLDYSZBO-LCYFTJDESA-N	243.307	1.544	50	40	BDGB	
NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	264074	OGCZOLYYPHZPFC-UHFFFAOYSA-N	247.210	1.458	50	40	BDGB	
CN1CC[C@H](CI)C1	79436926	CQTRIDILORUDGY-ZCFIWIBFSA-N	225.073	1.373	50	40	BDGB	
Cc1ccccc1-n1cc(C(=O)NN)cc1C	223751409	LRJMJYTUMQSMJV-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
O=C(/C=C\C(=O)OCCCl)OCCCl	101161431	NUZFFMJRNXNVCA-UPHRSURJSA-N	241.070	1.107	50	40	BDGB	
O=C(CC1CCCC1)NNc1ncccn1	48438917	VXMZQOIKGMNUBB-UHFFFAOYSA-N	220.276	1.500	50	40	BDGB	
O=C(CCl)NNC(=O)c1ccccc1Cl	4219012	UJMJNAWUKFYFQN-UHFFFAOYSA-N	247.081	1.340	50	40	BDGB	
COC(=O)NNC(=O)CCc1ccccc1	2132456	YXMZYIOCJKZBQW-UHFFFAOYSA-N	222.244	1.006	50	40	BDGB	
CCOC(=O)[C@@H]1CCC(=O)[C@H](Br)C1	39340288	IGOWSOGBQMBHIY-RNFRBKRXSA-N	249.104	1.682	50	40	BDGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1SC#N	95470195	UXJYCHMSIPVVSF-JTQLQIEISA-N	231.280	1.992	50	40	BDGB	
CC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21	4894734	MGAFCJQULOZDKA-HZGVNTEJSA-N	232.287	1.934	50	40	BDGB	
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NN	2801701	USJUEKXCMSCEDE-LLVKDONJSA-N	222.288	1.451	50	40	BDGB	
O=C(CCl)NCCCOCc1ccccc1	12505016	URMQMEOYBFCWBT-UHFFFAOYSA-N	241.718	1.948	50	40	BDGB	in-vitro
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Cl	38478345	HZZLMAFZSKHYPB-MUWHJKNJSA-N	212.632	1.980	50	40	BDGB	
C/C(=N\NC(=O)c1ccccn1)c1ccccn1	5382115	FBUABJGTWANGLM-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
NNC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1	71261608	WYSLUDJITPEZEV-UHFFFAOYSA-N	236.662	1.334	50	40	BDGB	
CC(C)(C)OC(=O)C(=O)CBr	39645886	FLTKVDFSOLXYOD-UHFFFAOYSA-N	223.066	1.292	50	40	BDGB	
N#C/C(=C\c1ccc2[nH]ccc2c1)C(N)=O	49538555	PRFOBVIUGZQYPW-UXBLZVDNSA-N	211.224	1.560	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1	132280	DEKBKNPPHMUEIR-NTEUORMPSA-N	242.282	1.492	50	40	BDGB	
CN(C)C(Sc1ccccn1)=C(C#N)C#N	12861489	PXSOUAPDYRNBLI-UHFFFAOYSA-N	230.296	1.994	50	40	BDGB	
O=C(N/N=C\c1cccs1)[C@H]1CCCO1	5329536	DFUFOHVRWXRVBA-MDXIRLPMSA-N	224.285	1.377	50	40	BDGB	
CC(=O)N/N=C/c1cc(Br)c(C)o1	4502675	XFQOVLAMOKNRGJ-ONNFQVAWSA-N	245.076	1.821	50	40	BDGB	
O=C(CCl)NC[C@@H](CO)c1ccccc1	71405450	QPHCXHNKDBKRAT-JTQLQIEISA-N	227.691	1.118	50	40	BDGB	
COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	33846586	NJXHBDGOJIMVNQ-FLIBITNWSA-N	230.267	1.690	50	40	BDGB	
CCOC(=O)/C(C#N)=C/N=c1/cc(C)ccn1C	16051271	GMAOTMGPHNVJEQ-HTQMBMLDSA-N	245.282	1.205	50	40	BDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)Cl)cc1	3866571	DSQVYIHTCRCCPC-UHFFFAOYSA-N	247.703	1.316	50	40	BDGB	
CC(C)(C)[Si](C)(C)OC[C@H]1N[C@@H]1C=O	198022301	GCCSVXGGNFVGLL-RKDXNWHRSA-N	215.369	1.548	50	40	BDGB	
CCCCn1c(C)cc(C(=O)NN)c1C	223696283	BZENVCHZZOPEHY-UHFFFAOYSA-N	209.293	1.509	50	40	BDGB	
O=C(Nc1nccs1)C(Cl)Cl	1672567	FUQXYHJECTWVJI-UHFFFAOYSA-N	211.073	1.885	50	40	BDGB	
CCC(=O)NNc1ncnc2ccccc12	3423865	KDOGVSCFOXUPFH-UHFFFAOYSA-N	216.244	1.483	50	40	BDGB	
N#CC1(NC(=O)CCl)CCCCCC1	12357069	CZNVYLAMYMEXHO-UHFFFAOYSA-N	214.696	1.958	50	40	BDGB	
COC(=O)/C=C1\CCCCN1C(=O)CCl	96528459	JFJLPJZLTIQLBO-SOFGYWHQSA-N	231.679	1.295	50	40	BDGB	
C=CCN1C=CC=C/C1=C(/C#N)C(N)=C(C#N)C#N	257173067	BYDJEZZKTXAFDY-OUKQBFOZSA-N	249.277	1.596	50	40	BDGB	
O=C1N[C@@H](Cc2c(F)cccc2F)C(=O)O1	1772714715	LQWRUXLBEIJRRX-QMMMGPOBSA-N	227.166	1.142	50	40	BDGB	
CO[C@H]1O[C@@H](CSC#N)[C@@H]2OC(C)(C)O[C@@H]12	5049483	GDWGAWUMBAEQRK-MAUMQABQSA-N	245.300	1.092	50	40	BDGB	
O=C(CBr)OCCBr	1608759	BDYRVZMWIBIACG-UHFFFAOYSA-N	245.898	1.319	50	40	BDGB	
Cc1cc2nc(CCl)cc(=O)n2n1C	35655581	PUIXSDICFHOBGA-UHFFFAOYSA-N	211.652	1.080	50	40	BDGB	
Cc1ccc(-c2ncc(C(=O)NN)c(C)n2)cc1	223454572	RUESIQSGPVYPPG-UHFFFAOYSA-N	242.282	1.364	50	40	BDGB	
CS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(N)cc1	96517756	VHLYREZCRGSQLE-SECBINFHSA-N	247.703	1.061	50	40	BDGB	
COC(=O)N/N=C(\C)c1cnc2ccccc2n1	16137016	WBRQTGCQOAARNB-OVCLIPMQSA-N	244.254	1.710	50	40	BDGB	
N#CC(C#N)=C1CC[C@@H](Br)C(=O)C1	16137603	RWUWICJZQFSUES-MRVPVSSYSA-N	239.072	1.847	50	40	BDGB	
CC(C)COC(=O)[C@@H](C)Br	32155460	MAYJUJUXGCDPPX-ZCFIWIBFSA-N	209.083	1.969	50	40	BDGB	in-vitro
CCOC(=O)CCC(=O)NNc1ccccc1	1638365	ZWJYCJSTVOCYJY-UHFFFAOYSA-N	236.271	1.473	50	40	BDGB	
CC(=O)O[C@H](Br)CBr	2014676	UXPDRIMBYCEVCO-BYPYZUCNSA-N	245.898	1.665	50	40	BDGB	
Nc1ccccc1C(=O)N/N=C/c1ccc[nH]1	409029665	ABAGMAMUKIQUHC-OVCLIPMQSA-N	228.255	1.361	50	40	BDGB	
C[C@H](Cl)C(=O)NC(=O)NC(C)(C)C	8428154	RTIAQJPBFOSSDR-YFKPBYRVSA-N	206.673	1.238	50	40	BDGB	in-vitro
COC(=O)N/N=C/c1cccc(C)c1O	4677355	AYZXJWPJQOSJTB-IZZDOVSWSA-N	208.217	1.391	50	40	BDGB	
CN(C)c1ccc(N)c(SS(=O)(=O)O)c1	4737556	YWFSXFXMEXDVTH-UHFFFAOYSA-N	248.329	1.230	50	40	BDGB	
O=C(CCl)Nc1ccc([N+](=O)[O-])cc1O	71671017	BSUBPEXMKBOPID-UHFFFAOYSA-N	230.607	1.478	50	40	BDGB	
CC(C)=NNC(=O)c1c(C)nc2sccn12	38351429	WFJNJBLPRCAVIV-UHFFFAOYSA-N	236.300	1.830	50	40	BDGB	
Nc1ccc2c(c1)C(=O)O[C@@H]2Br	217676384	SILSLFVOJSGWIF-ZETCQYMHSA-N	228.045	1.833	50	40	BDGB	
O=CN/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	31686901	ZKQOFWLDKTUXRE-WMZJFQQLSA-N	227.607	1.328	50	40	BDGB	
O=C(NNC(=O)c1cccs1)c1ccccn1	296398	AVHQKVXVXAEALL-UHFFFAOYSA-N	247.279	1.218	50	40	BDGB	
C[C@H]1C=C(C#N)O[C@H](N2CCCC2=O)C1	4267417	FNQIWCGDICPDOC-KWQFWETISA-N	206.245	1.399	50	40	BDGB	biogenic
COc1cccc(/C=N\NC(=O)C(C)C)c1	58885355	SFZLHZVSSKTFQI-JYRVWZFOSA-N	220.272	1.801	50	40	BDGB	
COC(=O)COc1ccc(C=C(C#N)C#N)cc1	564315	RVAHHDFHZWAFCL-UHFFFAOYSA-N	242.234	1.669	50	40	BDGB	
CC/C(C)=N\NC(=O)c1ccc(N)cc1	12401997	XTCQSSCDWJIHFW-JYRVWZFOSA-N	205.261	1.785	50	40	BDGB	
C=CC[C@@H](C[C@H](O)CCCCC)C(=O)NN	1876960	SLOLRWIFWHNMLZ-WDEREUQCSA-N	228.336	1.500	50	40	BDGB	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Cl	4218201	MCQCGSGTRUNLKE-YFKPBYRVSA-N	215.684	1.603	50	40	BDGB	in-vitro
CC1(C)CC(=O)C/C(=C(/C#N)C(N)=O)C1	72333520	GUMPNVRUCJOYIG-VQHVLOKHSA-N	206.245	1.071	50	40	BDGB	
CC(C)Cn1cc(C2CC(=O)OC(=O)C2)cn1	217687098	ZAEFWRRBJPEICU-UHFFFAOYSA-N	236.271	1.486	50	40	BDGB	
COC(=O)c1cc2n(n1)CCC[C@H]2Cl	98212412	YVUALGJVWLISHD-ZCFIWIBFSA-N	214.652	1.743	50	40	BDGB	
O=C(NN=C1CCCCCC1)[C@H]1CCCO1	43971032	HKDLWXNGZJCECG-LLVKDONJSA-N	224.304	1.992	50	40	BDGB	
O=C(N/N=C\c1cccs1)c1ccccn1	5203584	CUYQLXSARFEJEG-JYRVWZFOSA-N	231.280	1.907	50	40	BDGB	
NNC(=O)C1=CN(Cc2ccccc2)C=CC1	1634204	MHSZCLSDGBAXBW-UHFFFAOYSA-N	229.283	1.280	50	40	BDGB	
N#C/C(C(N)=O)=C1/CCCc2sccc21	4990942	GDBAVVVBRDPXFD-VQHVLOKHSA-N	218.281	1.847	50	40	BDGB	
C[C@H]1CN(C(=O)[C@@H](C)Cl)C[C@@H](C)O1	12433050	CQXVMOSWWGTUHF-GJMOJQLCSA-N	205.685	1.250	50	40	BDGB	
COc1ccc(-n2cc(C(=O)Cl)nn2)cc1	85345172	PZHZAKZOJCMKMY-UHFFFAOYSA-N	237.646	1.655	50	40	BDGB	
C[C@H]1C[C@H](NNC(=O)OC(C)(C)C)CCO1	95347628	ZHXQHAOHWHLGSX-DTWKUNHWSA-N	230.308	1.583	50	40	BDGB	
O=C(COc1ccccc1)N/N=C\c1ccco1	5215265	AFXVEBMNBPILID-ZROIWOOFSA-N	244.250	1.809	50	40	BDGB	
CCOC(=O)NC(CCl)NC(=O)OCC	1587792	OLRNDYNRSCMVDO-UHFFFAOYSA-N	238.671	1.044	50	40	BDGB	
CC(=O)N(N=O)c1ccc([N+](=O)[O-])cc1	4962193	DQWCQNBLVSEOPS-UHFFFAOYSA-N	209.161	1.629	50	40	BDGB	
Nc1ncnc2c1ncn2CCCCl	1728216	KOHPHILWKWZSJR-UHFFFAOYSA-N	211.656	1.037	50	40	BDGB	in-vitro
COC(=O)C1(NC(=O)CCl)CCC(C)CC1	95221163	OCRSDKHXTPKXCP-UHFFFAOYSA-N	247.722	1.463	50	40	BDGB	in-vitro
CCCCN1C[C@H](C(=O)Cl)CC1=O	33433014	VFQYIPCLYMGLAY-SSDOTTSWSA-N	203.669	1.400	50	40	BDGB	
CC[C@H](C)Oc1ccc(C(=O)NN)cc1OC	216882597	SUPBYTBNFUMETI-QMMMGPOBSA-N	238.287	1.476	50	40	BDGB	
COc1ccc(NNC(=O)C2CCNCC2)cc1	228943144	NTYVZQQIDOGLRI-UHFFFAOYSA-N	249.314	1.138	50	40	BDGB	
CC(=O)N[C@@]1(C(F)(F)F)C(O)=NC(C)=C1C#N	4110423	RMNPBYDOBFXBFH-MRVPVSSYSA-N	247.176	1.191	50	40	BDGB	
CN1CCC(N(C(=O)CCl)C2CC2)CC1	79406728	GYBWMCKRPBSWOS-UHFFFAOYSA-N	230.739	1.310	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	49391221	STWKZSPZKJNSFQ-YWEYNIOJSA-N	236.658	1.699	50	40	BDGB	
CCC[C@H]1C[C@@H](C#N)N(N(C)C)C1=C(C#N)C#N	4729896	OQKDHUQGASVMFK-JQWIXIFHSA-N	243.314	1.778	50	40	BDGB	
CC[C@H]1S[C@@H](C)C/C(=N/NC(N)=O)[C@@H]1C	100162177	CXEKRAUJXURPPU-YIJLTBQWSA-N	229.349	1.951	50	40	BDGB	
Br[C@@H]1OCC[C@H]1Br	59629531	SJWJMCVIJLKQIT-QWWZWVQMSA-N	229.899	1.891	50	40	BDGB	
Cc1cc(C(=O)N/N=C/c2cccs2)[nH]n1	9045985	XSDKEFDGLQVGGK-IZZDOVSWSA-N	234.284	1.544	50	40	BDGB	
CC(=O)N/N=C\c1ccc2c(c1)CCC2	31719658	GBNUNRCXSLFOPN-JYRVWZFOSA-N	202.257	1.645	50	40	BDGB	
C/C=C(/C)C(=O)N/N=C/c1cccc(OC)c1O	17128863	QAKBMXFHYAQRRC-MPIKLPQRSA-N	248.282	1.817	50	40	BDGB	
CN(C)/C=C(/C#N)C(=O)c1cccs1	100049019	JQZFGDHPUCKBHT-FPLPWBNLSA-N	206.270	1.900	50	40	BDGB	
C#CC1(OC[C@@H](O)CCl)CCCCC1	1583148	BWQCDAAWFZZABM-JTQLQIEISA-N	216.708	1.939	50	40	BDGB	
CCC(=O)NNC(=S)Nc1ccccc1F	6396542	FLKPLGKKCRNROJ-UHFFFAOYSA-N	241.291	1.553	50	40	BDGB	
CCCC[C@@H]1C[C@@H](/C(C)=N/NC(N)=O)OC1=O	4616256	ULLVAEDJJLRJMU-JWYMGWFMSA-N	241.291	1.153	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1	4829436	ASMATNCOGPXLKV-TWGQIWQCSA-N	232.195	1.675	50	40	BDGB	
CC/C=C(C)\C=N/NC(=O)c1ccc[n+](C)c1	31949328	UKMVWVNGSBIBDX-SJFXAILISA-O	232.307	1.583	50	40	BDGB	
O=C(CN1CCCCCC1)NCCCCl	575423627	PJYIGSMUVVOBHJ-UHFFFAOYSA-N	232.755	1.608	50	40	BDGB	
Cc1cccnc1NC(=O)NCCCl	13208336	GYGXUNVHOTUGFF-UHFFFAOYSA-N	213.668	1.750	50	40	BDGB	
O=C(CCl)N1[C@H]2CC[C@H]1c1snnc1C2	100492674	SSNZTGQSRRFBID-FSPLSTOPSA-N	243.719	1.365	50	40	BDGB	
C/C(CCc1ccc2c(c1)OCO2)=N\NC=O	4863671	GJJDQGHDVBUZBL-NTEUORMPSA-N	234.255	1.470	50	40	BDGB	
CN(C)/C=N/C(=O)/C(C#N)=C/c1ccncc1	15957124	WSAZBRHWGBAWSO-BIUQSXLLSA-N	228.255	1.105	50	40	BDGB	
NNC(=O)[C@H](c1ccccc1)N1CCCCC1	95696056	WVMOCKKPGGDUIX-LBPRGKRZSA-N	233.315	1.204	50	40	BDGB	
N#CCC(=O)N/N=C\c1ccc2c(c1)CCC2	31672966	SKOCQMRINLUPCK-DHDCSXOGSA-N	227.267	1.539	50	40	BDGB	
O=CC1=C(n2cc([N+](=O)[O-])cn2)CCCC1	98211626	QVRHKGGPFBSCSG-UHFFFAOYSA-N	221.216	1.775	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(C#N)cc1	1713021	RIHIYMUBSYEENE-MDWZMJQESA-N	217.228	1.638	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)CC(C)C)cc1	8354290	XTCJCAJMPXAKKL-UHFFFAOYSA-N	234.299	1.802	50	40	BDGB	
COC(=O)/C=C1\SCC(=O)N1CCCCl	39947538	NRNCTEBQWRTURH-YVMONPNESA-N	249.719	1.205	50	40	BDGB	in-vitro
CCC[C@@H](C(=O)NN)N1CCCC[C@H]1C	251334461	NWRJGDWUGCHPSY-ZJUUUORDSA-N	213.325	1.019	50	40	BDGB	
CN1CCN(CCCCCBr)CC1	70050455	IRYZPGXUYRXTAY-UHFFFAOYSA-N	249.196	1.799	50	40	BDGB	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)CCl	79406439	UEFZHZMOIJOVJO-RKDXNWHRSA-N	218.728	1.214	50	40	BDGB	
CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	5726205	FJHFBKLESIPSRX-UHFFFAOYSA-N	236.315	1.370	50	40	BDGB	
C[N+](C)(CCl)CC[N+](C)(C)CCl	1720070	FZEBCDFWMHZBNW-UHFFFAOYSA-N	215.168	1.532	50	40	BDGB	
Cc1cc(F)cc2c(OCC(=O)NN)ccnc12	64874785	UBKZUDUGXHZBFI-UHFFFAOYSA-N	249.245	1.051	50	40	BDGB	
CCOC(=O)/C=C1\CCCCN1C(=O)CCl	96528469	DNFFPMVUQGLQLH-VQHVLOKHSA-N	245.706	1.685	50	40	BDGB	
CC(=O)N/N=C(\CCC(=O)O)c1ccccc1	5899877	PDFSCWMLGYHSLB-SDNWHVSQSA-N	234.255	1.392	50	40	BDGB	
O=S1(=O)C[C@@H](Cl)[C@H](/N=C/c2ccoc2)C1	5906487	BDWCKLLSYPIWKK-LFISNSTJSA-N	247.703	1.103	50	40	BDGB	
C[C@H](Cl)c1nnnn1-c1ccccc1	32627405	NDGJFKRTKOOXHR-ZETCQYMHSA-N	208.652	1.962	50	40	BDGB	in-vitro
Cc1noc2nc(C3CC3)cc(C(=O)NN)c12	12394842	IZJRQXGOOLDDKK-UHFFFAOYSA-N	232.243	1.012	50	40	BDGB	
O=C(CCl)N1CCO[C@@H]2CCCC[C@@H]21	37654185	UVKJCEYCJSFAEU-DTWKUNHWSA-N	217.696	1.395	50	40	BDGB	in-vitro
O=C(NNc1ncccn1)[C@@H]1C[C@H]1c1ccco1	49376544	ROAWBSUKCWZRIF-RKDXNWHRSA-N	244.254	1.316	50	40	BDGB	
N#C/C(=C1/CCCN1)c1nnc2n1CCCC2	19932846	JSHWZTXYQVTZHX-MDZDMXLPSA-N	229.287	1.232	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1-c1nccs1	223719083	LKKKRFRMQXLRNV-UHFFFAOYSA-N	236.300	1.154	50	40	BDGB	
CCSC(=O)NNc1ccc(Cl)nn1	480285	BJRMFHYTIFGOCD-UHFFFAOYSA-N	232.696	1.920	50	40	BDGB	
CCCn1nc(C)c2c(C(=O)NN)cc(C)nc21	12395757	GPXZUIJSLQFLJT-UHFFFAOYSA-N	247.302	1.062	50	40	BDGB	
COC(=O)/C(C#N)=C/Nc1ccc(C)cn1	101645850	WVGGFXXKDXBDMZ-VQHVLOKHSA-N	217.228	1.382	50	40	BDGB	
O=C([C@@H](Cl)c1ccccc1)N1CCOCC1	4206741	FCAFIWSACLLPGG-NSHDSACASA-N	239.702	1.825	50	40	BDGB	
C#C[C@](C)(CC)OC[C@@H](CCl)OC[C@@H]1CO1	4860496	JIESFYGQVNFHGZ-IJLUTSLNSA-N	246.734	1.828	50	40	BDGB	
CCN(CC)[C@@H](C(=O)NN)c1ccccc1	82466070	NXHIBCZBBYXWFR-LLVKDONJSA-N	221.304	1.059	50	40	BDGB	
COc1cccc(N(C)C(=O)CCl)c1	41227236	AYLJANDAYHEXPE-UHFFFAOYSA-N	213.664	1.897	50	40	BDGB	
C[C@H](Cl)CN1CCN(C[C@H](C)Cl)CC1	19369056	FCEMDHCGQHZZKJ-UWVGGRQHSA-N	239.190	1.859	50	40	BDGB	
Cc1nc2ccccc2cc1C(=O)NN	1435448	ULXALUYCOVLIQY-UHFFFAOYSA-N	201.229	1.147	50	40	BDGB	
COC(=O)C(Br)Br	2521584	DZFMIUJZSYIMPH-UHFFFAOYSA-N	231.871	1.275	50	40	BDGB	biogenic
O=C(CCl)CC(=O)OCc1ccccc1	34579741	AIJGDSYLHMOGOA-UHFFFAOYSA-N	226.659	1.928	50	40	BDGB	
Nc1ccc(OCCCl)cc1[N+](=O)[O-]	34428291	VHZAVQXKRVEBCJ-UHFFFAOYSA-N	216.624	1.795	50	40	BDGB	
NNC(=O)c1cnc(-c2cccc(Cl)c2)nc1	223456737	ZMRBSKWKIZXYDK-UHFFFAOYSA-N	248.673	1.401	50	40	BDGB	
CCS(=O)(=O)[C@H](Cl)C(=O)c1ccccc1	96517785	AIXKRDUDBZZHKM-JTQLQIEISA-N	246.715	1.869	50	40	BDGB	
N#Cc1ccc[n+](CCBr)c1	1691173	LJNMZUCKGJHWQB-UHFFFAOYSA-N	212.070	1.241	50	40	BDGB	
CNC(=O)NNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	56375620	VOBLIKYXCHZHLI-RKDXNWHRSA-N	239.319	1.185	50	40	BDGB	
CCC(=O)NNC(=O)c1ccc(C)cc1C	14232487	VPBSNAOXQJCPEQ-UHFFFAOYSA-N	220.272	1.474	50	40	BDGB	
CC(C)CNC(=O)CCBr	41688326	SUTHGRGVMZMJGK-UHFFFAOYSA-N	208.099	1.544	50	40	BDGB	
COc1cccc(/C=N\C(C#N)=C(/N)C#N)c1O	91302308	HYPOJQUWLSUZGN-SFCMEWNQSA-N	242.238	1.037	50	40	BDGB	
COC(=O)c1cc(CBr)n(C)n1	91695957	XPUITOYPHIBAKN-UHFFFAOYSA-N	233.065	1.102	50	40	BDGB	
Cc1cc(C)c([C@@H]2NC(=O)OC2=O)c(C)c1	1772714947	IJYNKASDANZXCN-JTQLQIEISA-N	219.240	1.919	50	40	BDGB	
CO[C@H]1O[C@H](CSC#N)[C@@H]2OC(C)(C)O[C@@H]12	5049485	GDWGAWUMBAEQRK-XAVMHZPKSA-N	245.300	1.092	50	40	BDGB	
CCCC(=O)N/N=C/c1ccc(OC)cc1	242855	TXGQQAVWZFPTRO-UKTHLTGXSA-N	220.272	1.945	50	40	BDGB	
CCN(CC)C(=O)CCBr	1733919	MLJKRCKEPBMCIG-UHFFFAOYSA-N	208.099	1.640	50	40	BDGB	in-vitro
C=CCOC(=O)CCCBr	2389420	KGXWKENTBDJHOM-UHFFFAOYSA-N	207.067	1.891	50	40	BDGB	
COC(=O)N1CC[C@@H]2[C@@H](C)C=C(C#N)O[C@H]21	4267689	LWFJZAAHBCLHQF-FXBDTBDDSA-N	222.244	1.475	50	40	BDGB	biogenic
CC1=C[C@H](C)[C@H](/C=N/NC(N)=O)[C@H](C)C1	4675957	YBYSXMKQRHGENA-UXEOPAJMSA-N	209.293	1.879	50	40	BDGB	
N#C/C(=C\c1ccc[nH]1)C(=O)N1CCCC1	409371580	IELNEPDQJIBGBY-CSKARUKUSA-N	215.256	1.544	50	40	BDGB	
CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	33599902	PNBQKDHIEMSGBS-POHAHGRESA-N	207.189	1.065	50	40	BDGB	
O=C1N[C@@]2(CCc3ccccc3C2)C(=O)O1	95876480	XLMLWCKRUXEQDD-GFCCVEGCSA-N	217.224	1.181	50	40	BDGB	
N#C/C=C1\NC(=O)c2ccccc2S1	100438286	YSMUIMWYNWGLNF-WEVVVXLNSA-N	202.238	1.887	50	40	BDGB	
N#CC(C#N)=C/C=C/c1cc(C#N)c(N)o1	346690	BCTKTBOSNGKAEA-HNQUOIGGSA-N	210.196	1.720	50	40	BDGB	in-vitro
NNC(=O)c1cccc2cccc([N+](=O)[O-])c12	57353816	IUQCMIYHNZVCTR-UHFFFAOYSA-N	231.211	1.352	50	40	BDGB	
O=S(=O)(c1ccccc1)N1C[C@H]1CCl	4813922	SQTMFYHGMHORHJ-RZZZFEHKSA-N	231.704	1.298	50	40	BDGB	
CC(=O)c1ccccc1[C@@H](O)C(=O)Cl	49588079	KZKKRAVNYHSDCG-SECBINFHSA-N	212.632	1.688	50	40	BDGB	
CCc1ccc(-n2cccc2C(=O)NN)cc1	223733663	MRBCIQJSHCZZKZ-UHFFFAOYSA-N	229.283	1.643	50	40	BDGB	
Cc1occc1C(=O)NNC(=O)C(C)C	11638434	KIXWGLIBBQOJHE-UHFFFAOYSA-N	210.233	1.005	50	40	BDGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccn[nH]1	5295223	LGGZTPICDSRQMD-VGOFMYFVSA-N	232.218	1.313	50	40	BDGB	
O=C(N/N=C1/C[C@H]2CC[C@H]1C2)c1ccccn1	103854794	JOMMGSHZFUTLSY-BFQJWLLSSA-N	229.283	1.987	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1cc(Cl)ccc1O	100429637	ONVDVFWQUJLQNL-FSNCIFOCSA-N	246.657	1.682	50	40	BDGB	
CC(C)(C)[C@@H]1OC(N)=C(C#N)C1=C(C#N)C#N	100258000	XNGCOXDAXBSYHS-SNVBAGLBSA-N	228.255	1.469	50	40	BDGB	
CN1CCN(C)P1(=O)N1CCCC1	100382902	WVHAAFZAEUOUPZ-UHFFFAOYSA-N	203.226	1.068	50	40	BDGB	
Cc1cccc(C(=O)NNC(=O)C(C)C)c1	5547968	TYFFKCGCZJNDIK-UHFFFAOYSA-N	220.272	1.412	50	40	BDGB	
CCN(C[C@H]1CCN(C)C1)C(=O)CCl	79406537	QQMLHSOTMBKVJE-VIFPVBQESA-N	218.728	1.025	50	40	BDGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@@H]3O[C@H]3C2)O1	254380800	NBDKOJSGJIGOBM-ZJDVBMNYSA-N	218.680	1.534	50	40	BDGB	
O=C1Cc2c([nH]c3ccccc23)C(=O)O1	100059074	DRBDVHIEYHBCGL-UHFFFAOYSA-N	201.181	1.407	50	40	BDGB	
CC1(C)[C@@H]2CC[C@]1(C(=O)Cl)C(=O)C2=O	100198113	VSGWZEXTHLODJA-GPXNAGAYSA-N	214.648	1.326	50	40	BDGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccncc1	5705275	RZILNFWTGIFZHJ-GTNCLJFYSA-N	227.267	1.763	50	40	BDGB	
Cc1ccc(C)c(NC(=S)NNC=O)c1	16970711	PCPFICRCXQNGSQ-UHFFFAOYSA-N	223.301	1.251	50	40	BDGB	
NNC(=O)c1ccc(Br)s1	2574314	OFXZACLPQYOIAV-UHFFFAOYSA-N	221.079	1.114	50	40	BDGB	in-vitro
N#CNC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	1611952	HYMLLCTWFJURDV-JTQLQIEISA-N	238.250	1.096	50	40	BDGB	
CCCCC[C@H](O)C[C@@H](CC)C(=O)NN	2227595	DZQOUXPZELJEIX-ZJUUUORDSA-N	216.325	1.334	50	40	BDGB	
N[C@@H](CCl)COC(=O)c1ccccc1	6529186	WOGWEXPUVICSGF-VIFPVBQESA-N	213.664	1.410	50	40	BDGB	
ClCCN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	104063129	UIPUARKPNVOVFC-UTINFBMNSA-N	201.697	1.334	50	40	BDGB	
NNC(=O)c1cccc(-c2ccccc2)c1	90612998	BCAHBDYMHVWEAA-UHFFFAOYSA-N	212.252	1.957	50	40	BDGB	in-vitro
O=C(O)c1ccccc1C(=O)CBr	1685186	ZUXBPGMQEGEWHI-UHFFFAOYSA-N	243.056	1.962	50	40	BDGB	
O=C(NN=C1CCCCCC1)c1cnccn1	564385	ABERVBBBXADSMO-UHFFFAOYSA-N	232.287	1.917	50	40	BDGB	
CC(=O)NCCc1ccc(C(=O)CCl)s1	4218948	DZEALSULQGZRCA-UHFFFAOYSA-N	245.731	1.848	50	40	BDGB	
O=C(CCl)NN1CCC(=O)c2ccccc21	5604720	YEPIXEKNZCFTDW-UHFFFAOYSA-N	238.674	1.349	50	40	BDGB	
O=C(CO)N/N=C/c1ccc(-c2ccccc2)o1	366291	GGDVFDQURVGGBO-RIYZIHGNSA-N	244.250	1.389	50	40	BDGB	
O=C(CCl)N(Cc1cncs1)C1CC1	79422033	HNAIVJABUMKGLJ-UHFFFAOYSA-N	230.720	1.873	50	40	BDGB	
O=[S@@](Cl)OCC(F)(F)C(F)F	97957397	GCKJFBPFDKPCIF-NSHDSACASA-N	214.567	1.721	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Br)s1	5770694	SAAGLMZTTHQOJX-YCRREMRBSA-N	248.105	1.513	50	40	BDGB	
CC(/C=C\c1ccco1)=N\NC(=O)CC#N	17286308	JKRSRMDKSCJPSX-UVJMCMIKSA-N	217.228	1.699	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	33737591	APDBRVMOZRCWIF-XFFZJAGNSA-N	245.234	1.855	50	40	BDGB	
O=C(N/N=C\c1ccco1)c1ccco1	4737369	KWEJBGUDJIFYQL-XFFZJAGNSA-N	204.185	1.637	50	40	BDGB	
Cn1cccc1/C=C(\C#N)C(=O)NC1CC1	16970089	JKPHATXMKRXWRD-VQHVLOKHSA-N	215.256	1.211	50	40	BDGB	
CCOc1ccccc1NC(=S)NNC=O	5949608	CMZNIEUSWIFDJX-UHFFFAOYSA-N	239.300	1.033	50	40	BDGB	
CC1(C)C[C@@H](CI)O1	72267062	NVLLHQRFWYOVSO-YFKPBYRVSA-N	226.057	1.989	50	40	BDGB	
N[C@@H]1CCCC[C@@H]1I	1712377	RYTVLRWQAKLNTM-NTSWFWBYSA-N	225.073	1.691	50	40	BDGB	
CC(=O)N/N=C/c1ccc(OC(C)C)cc1	313920	KSBVZQAOEGMAPI-MDWZMJQESA-N	220.272	1.944	50	40	BDGB	
O=C(CCl)N1CC[C@@H](Br)C1	100188143	YKSVEYNHBOKKSW-RXMQYKEDSA-N	226.501	1.221	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3C=C[C@@H]4C3)[C@@H]12	104292968	OFKIERVADQOMGB-KEJAVOQRSA-N	228.247	1.454	50	40	BDGB	
N#C/C(=C/c1ccccc1)C(=O)NC1CC1	3309170	KSHDAYYEBNUTFU-FLIBITNWSA-N	212.252	1.872	50	40	BDGB	
O=C(O)c1ccccc1/C=N/NC(=O)C1CC1	3475133	FMZORIATKUEVFW-NTUHNPAUSA-N	232.239	1.245	50	40	BDGB	
CO[C@H]1O[C@H](CSC#N)[C@H]2OC(C)(C)O[C@@H]12	5049484	GDWGAWUMBAEQRK-BGZDPUMWSA-N	245.300	1.092	50	40	BDGB	
COc1ccc(COC(=O)CCl)cc1	13608966	LSEXLYVLRFXXFW-UHFFFAOYSA-N	214.648	1.977	50	40	BDGB	
CCCCC/C(C)=C(/C#N)C(=O)NC(N)=S	16918685	IMKIRBUHGADSER-HJWRWDBZSA-N	239.344	1.767	50	40	BDGB	
COC(=O)c1sccc1NNC(=O)CCl	160000	VPCHERKLMYVAFY-UHFFFAOYSA-N	248.691	1.217	50	40	BDGB	
BrCC[N+]12CCCN1CCC2	1622761	QXUBTEQLZVKUGK-UHFFFAOYSA-N	220.134	1.223	50	40	BDGB	
COc1ccc(CCCC(=O)NN)c(C)c1	3112574	ZPCVDFNWIKPQCZ-UHFFFAOYSA-N	222.288	1.316	50	40	BDGB	
COC(=O)[C@@H](CCl)NC(=O)c1ccccc1	1762056	YWPXOLXUAWAXOD-SECBINFHSA-N	241.674	1.197	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(O)cc1O	63932436	ADFOXHQHINVUBI-WDZFZDKYSA-N	224.216	1.178	50	40	BDGB	
Nc1cccc(C(=O)N/N=C2\CCCCCN2)c1	96511699	TWJHOTZWLKHUCP-UHFFFAOYSA-N	246.314	1.476	50	40	BDGB	
CCCOC(=O)OCCBr	59495533	XFJCRXPTTKPVSF-UHFFFAOYSA-N	211.055	1.945	50	40	BDGB	
C[C@@H](Cl)CN[C@@H]1c2ccccc2C[C@@H]1O	4896532	IGHVMDUYHFBFSO-JFUSQASVSA-N	225.719	1.862	50	40	BDGB	
NC(=O)N/N=C\[C@H]1CCc2ccccc2C1	6576114	PRIOIBWJSYYYEU-JNNKLVPLSA-N	217.272	1.446	50	40	BDGB	
CC(C)(C)[C@H](Cn1cccn1)NC(=O)CCl	2781184	JUFAVKMWNQTQJP-VIFPVBQESA-N	243.738	1.653	50	40	BDGB	
CCCC(CCC)=NNC(=O)C(=O)NC(C)C	59434304	ZWLCIHYRXZDICV-UHFFFAOYSA-N	241.335	1.583	50	40	BDGB	
O=C(CCl)NCC(=O)c1cccs1	26510138	DYAYRHYBDDIRTD-UHFFFAOYSA-N	217.677	1.286	50	40	BDGB	in-vitro
O=C1[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]1[C@@H]3[C@@H](Br)[C@H]42	102942840	AMHCEXBDUDDEPZ-FIXHQEKRSA-N	239.112	1.707	50	40	BDGB	
CN(NC(=O)C1CCC1)c1ccccc1	39976505	UWLKLHFYSCCPBL-UHFFFAOYSA-N	204.273	1.954	50	40	BDGB	
CO[Si](CCCNC(C)(C)C)(OC)OC	196409730	QXULZQKARBZMBR-UHFFFAOYSA-N	235.400	1.643	50	40	BDGB	
O=C(Cl)c1nn2cccnc2c1Cl	12357571	VCFNNSIAXNKYSH-UHFFFAOYSA-N	216.027	1.762	50	40	BDGB	
COC(=O)/C(C#N)=C(/Br)SC	16189530	CMALURVLVRDGQG-PLNGDYQASA-N	236.090	1.652	50	40	BDGB	
CC(/C=C/c1ccc(O)cc1)=N\NC(N)=O	16941262	IKDJOJMSRRXVBV-KFKHOQBUSA-N	219.244	1.450	50	40	BDGB	
COC(=O)CC[C@H]1CCCC/C1=N/NC(N)=O	100282596	DBLLXRVFGAJZKL-MZTZJWPHSA-N	241.291	1.154	50	40	BDGB	
CC(C)N(C)[C@H]1CCN(C(=O)CCl)C1	79419124	VKNKXPWNONYFMY-VIFPVBQESA-N	218.728	1.166	50	40	BDGB	
Cc1cc(C(=O)Cl)ccc1-n1cnnc1	70461744	WSVAYERHTXTEFM-UHFFFAOYSA-N	221.647	1.955	50	40	BDGB	
CO[C@H]1C[C@H](C)C(=C(C#N)C#N)N1N(C)C	5499996	SOGCKEHXBXEGCM-WPRPVWTQSA-N	220.276	1.079	50	40	BDGB	
CN(C)[C@H]1CC[C@H](N(C)C(=O)CCl)CC1	252517250	CWQORMFZVKAUQU-MGCOHNPYSA-N	232.755	1.556	50	40	BDGB	
CC(=O)N/N=C/c1ccc(N(C)C)cc1	227062	WMELLMZRVXERTQ-XYOKQWHBSA-N	205.261	1.223	50	40	BDGB	
O=CN/N=C\c1cc(Cl)cc(Cl)c1O	104102874	NZGHELMGHHAQFA-JYOAFUTRSA-N	233.054	1.779	50	40	BDGB	
CCCCC[C@@H]1C[C@H](O)C=C(C)[C@H]1C(=O)NN	102750538	PPCFHJICCBNMPT-IJLUTSLNSA-N	240.347	1.500	50	40	BDGB	
COc1ccc(OC)c(/C=N/NC(=O)CC#N)c1	20248934	OZUMRJIOLKCZDD-RIYZIHGNSA-N	247.254	1.068	50	40	BDGB	
N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)[C]1O	104801950	XOJISMWDWBULDO-UHFFFAOYSA-N	228.014	1.507	50	40	BDGB	
NNC(=O)N/N=C/c1c(O)ccc2ccccc12	5669512	IPVGEMAUVOISQD-VGOFMYFVSA-N	244.254	1.052	50	40	BDGB	
Cc1c(Br)c(C(=O)Cl)nn1C	6254034	AGNCUIDMDNDBBT-UHFFFAOYSA-N	237.484	1.870	50	40	BDGB	
CCC(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2	6396318	VPLCFEDHFNEKQI-YIZRAAEISA-N	241.360	1.080	50	40	BDGB	
CC(C)N(C[C@@H]1CCCCN1C)C(=O)CCl	79406644	LSSBVQZQPOPFBE-NSHDSACASA-N	246.782	1.947	50	40	BDGB	
CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)CCl	79406500	GEDTZOHWUJUPHH-NXEZZACHSA-N	232.755	1.556	50	40	BDGB	
COc1ccc(C=C(C#N)C(N)=O)cc1	1857777533	SUCNFHGGPRWDID-UHFFFAOYSA-N	202.213	1.087	50	40	BDGB	
CCOc1ccc(CC(=O)NN)c(OCC)c1	20134070	JYKWHEAHNLXQRV-UHFFFAOYSA-N	238.287	1.016	50	40	BDGB	
O=S1(=O)O[C@H](Cl)c2ccccc21	1703429	LNWUNIOANJTGPG-ZETCQYMHSA-N	204.634	1.643	50	40	BDGB	
NC(=O)N/N=C/c1ccc(OC(F)F)cc1	2684891	AUWOPSFQGPVGFE-WLRTZDKTSA-N	229.186	1.290	50	40	BDGB	
O=C1C[C@H](Cc2cccc(F)c2)C(=O)O1	103673240	WHSISVREMUHDMX-QMMMGPOBSA-N	208.188	1.458	50	40	BDGB	
CCN(CC)P(=O)(N1CC1)N1CC1	104371431	UNXCDPXOLKHZSJ-UHFFFAOYSA-N	203.226	1.068	50	40	BDGB	
C[C@H](Cl)C(=O)NC[C@@H]1CCCS1	87668028	MSEMYNPDVDDYNS-BQBZGAKWSA-N	207.726	1.626	50	40	BDGB	
Br[C@H]1CC[C@@H](Br)CN1	100057982	HCTZZEWTUFVJMV-RFZPGFLSSA-N	242.942	1.854	50	40	BDGB	
CO/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	57352284	CPASDZQGHMXISV-DHZHZOJOSA-N	237.280	1.780	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)Cc1ccccc1	520172	UPVIHLDZSDAHTC-RVDMUPIBSA-N	241.294	1.718	50	40	BDGB	
Cc1ccc2c(c1)/C(=N/NC(=O)C1CC1)C(=O)N2	5747448	PEUFTZGRRSWGTL-UHFFFAOYSA-N	243.266	1.177	50	40	BDGB	
O=C(CCCO)N/N=C/c1ccc(F)cc1	20457342	DXJBCQCHWJBWBT-MDWZMJQESA-N	224.235	1.048	50	40	BDGB	
C=CC[C@H](C[C@H](O)CCCCC)C(=O)NN	1876958	SLOLRWIFWHNMLZ-GHMZBOCLSA-N	228.336	1.500	50	40	BDGB	
CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	104057143	JQYGJEFBLOYFRC-KHUVANEUSA-N	206.241	1.678	50	40	BDGB	
CC(=O)N/N=C1\C(O)=Nc2ccc(Cl)cc21	58629012	KSZGVLZMYIPZAK-UHFFFAOYSA-N	237.646	1.782	50	40	BDGB	
CCOC(=O)NNC(=O)Nc1ccccc1F	1754261	USSSVXASMAIPML-UHFFFAOYSA-N	241.222	1.608	50	40	BDGB	
O=C(CCCl)NC(=O)NC1CCCC1	12769418	PXFXZROLHLRANO-UHFFFAOYSA-N	218.684	1.384	50	40	BDGB	in-vitro
O=C(CCl)NCCCCn1ccnc1	45107927	NIVJCOGYLVFRQB-UHFFFAOYSA-N	215.684	1.018	50	40	BDGB	
CC(=O)N[C@@H]1CCC(=O)[C@@H](Br)C1	90759690	WBTGJPGTKKCSKY-RQJHMYQMSA-N	234.093	1.008	50	40	BDGB	
CCOC(=O)CCCN1CCC=C(C#N)C1	31672758	WQICZIKZKQWQGY-UHFFFAOYSA-N	222.288	1.485	50	40	BDGB	
O=C(NCc1cccnc1)C(Cl)Cl	532037	LOTXNLFBGWUQRG-UHFFFAOYSA-N	219.071	1.502	50	40	BDGB	
O=C1[C@H](Br)CCN1c1ccncc1	67802402	OAYADPORETVRBK-MRVPVSSYSA-N	241.088	1.582	50	40	BDGB	
CCOC(=O)c1ncc(CCl)cn1	71257039	CTWLFGJZISULHA-UHFFFAOYSA-N	200.625	1.392	50	40	BDGB	
O=C1CC[C@H](I)C1	85210510	APMGHATZDKMABH-BYPYZUCNSA-N	210.014	1.543	50	40	BDGB	in-vitro
O=C(CBr)c1ccc(F)cn1	98175425	ROMBETKIORDASQ-UHFFFAOYSA-N	218.025	1.798	50	40	BDGB	
CC1CCN([C@@H](C)C(=O)NCCCCl)CC1	575423432	NEYQJQCNOFSIAP-NSHDSACASA-N	246.782	1.852	50	40	BDGB	
CNC[C@@H](Br)c1ccc(O)c(O)c1	6481819	IUENRFZUCOROAJ-SSDOTTSWSA-N	246.104	1.753	50	40	BDGB	
O[C@H](CCl)C[n+]1ccc2ccccc2c1	501461	BXKWGZTXCDWENV-GFCCVEGCSA-N	222.695	1.727	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)c2cccs2)n1	22234367	XVSXGIDDECKLIT-UHFFFAOYSA-N	248.311	1.912	50	40	BDGB	
CO[C@]12CC[C@H](C)CC1=C(C#N)C(C#N)=C(N)O2	96336589	SQSHGYHQEMQDEV-SDBXPKJASA-N	245.282	1.693	50	40	BDGB	
CCOC(=O)/C(C#N)=C(/C=C/N(C)C)OCC	59801542	NIMVJEVMCSOWGT-LFOHPMNASA-N	238.287	1.439	50	40	BDGB	
O=[N+]([O-])c1cccc(-n2nnnc2CCl)c1	4949981	VHEHONFKUBPMAV-UHFFFAOYSA-N	239.622	1.309	50	40	BDGB	
CC(=O)N1CC[C@@H](CBr)C1	79436797	ONCOFRGWHKMJIQ-ZETCQYMHSA-N	206.083	1.250	50	40	BDGB	
COc1ccc(CNC(=O)[C@H](C)Cl)cc1	3252708	VFZAWPSHQDNJNP-QMMMGPOBSA-N	227.691	1.939	50	40	BDGB	
CC(=O)N/N=C(/CCC(=O)O)c1cccs1	6761328	BPZJCRMETIKYKX-WQLSENKSSA-N	240.284	1.453	50	40	BDGB	
FC(F)CN1CC[C@@H](Br)C1	87751640	VGLWDLPGBUVTTH-RXMQYKEDSA-N	214.053	1.721	50	40	BDGB	
COC(=O)c1cnc(CCl)c(C)c1OC	65739316	AGXBVGGOIWPKFI-UHFFFAOYSA-N	229.663	1.924	50	40	BDGB	in-vitro
Cc1cc(NC(=O)NNC(=O)C(C)(C)C)no1	71996858	LTPNNFGNHPCJBZ-UHFFFAOYSA-N	240.263	1.182	50	40	BDGB	
CC(=O)Nc1ccc(/C=N\NC(=O)C2CC2)cc1	31649148	OORSOHJIGWKXOC-ZSOIEALJSA-N	245.282	1.505	50	40	BDGB	
CCOC(=O)N/N=C\c1cccc(OC)c1	31687293	KBWRBCXYDVZSJF-WQLSENKSSA-N	222.244	1.775	50	40	BDGB	
CCCOCc1cc(C(=O)NN)ccc1OC	224409431	FQPCBEWNYMJSRO-UHFFFAOYSA-N	238.287	1.225	50	40	BDGB	
C[C@@H](Cl)C(=O)NCC(=O)c1ccccc1	68576441	VKHYJWMJSOOKJR-MRVPVSSYSA-N	225.675	1.613	50	40	BDGB	in-vitro
COC(=O)[C@@H](Cc1ccccc1)SC#N	568069	LIZYKUWCTWWSBG-SNVBAGLBSA-N	221.281	1.985	50	40	BDGB	
O=C(CCl)c1cc2c3c(c1)CC(=O)N3CCC2	4206990	KRFPREPGGHPLOB-UHFFFAOYSA-N	249.697	1.943	50	40	BDGB	
CC(C)(C)c1nnc(C(=O)CCl)o1	199546454	JSTZFUHGXVIOCL-UHFFFAOYSA-N	202.641	1.789	50	40	BDGB	
CN(C)c1ccc(C=C(C#N)C(N)=S)cc1	2049269219	RYCMWLHJBKLTHR-UHFFFAOYSA-N	231.324	1.946	50	40	BDGB	
CN(C)OP(=O)(Cl)ON(C)C	100030623	NQXBGROVTFATAB-UHFFFAOYSA-N	202.578	1.320	50	40	BDGB	
Br[C@H]1CN=C2SCCN2C1	496149	BJATVBHBUXMNNH-YFKPBYRVSA-N	221.123	1.168	50	40	BDGB	
C[C@@H]1CN1[P@](=O)(Nc1ncccn1)N1CC1	100855203	HMPLJIBDNSNMQE-DMRBNNPRSA-N	239.219	1.016	50	40	BDGB	
Cc1cc([N+](=O)[O-])cc(/C=C/C=O)c1O	216763998	QFBUBFLKUHYCNP-NSCUHMNNSA-N	207.185	1.821	50	40	BDGB	
CC(C)N(C)[C@H]1CC[C@H](NC(=O)CCl)CC1	242538750	JEGWSCDMWUMXAP-XYPYZODXSA-N	246.782	1.993	50	40	BDGB	
CCC(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2	6396309	VPLCFEDHFNEKQI-DJLDLDEBSA-N	241.360	1.080	50	40	BDGB	
C[C@@H](NC(=O)CCl)c1nc2ccccc2[nH]1	45796265	SUYOXTYLIUDQHP-SSDOTTSWSA-N	237.690	1.979	50	40	BDGB	
O=C1COCCN1c1ccc(CCl)cc1	199776049	WBSSDSSXNMRUOJ-UHFFFAOYSA-N	225.675	1.789	50	40	BDGB	
CCC[C@@H](CC/C(C)=N/NC(N)=O)[N+](=O)[O-]	5731879	XWQLHAHPXYWCBK-LBTPYSACSA-N	230.268	1.256	50	40	BDGB	
NC(=O)N/N=C1\CCCC[C@@H](O)CCC1	382895	MQIDDBHEKYCZRP-YXYQAXARSA-N	213.281	1.116	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)c2ccco2)n1	22234244	RNMQLAKGVRZLFQ-UHFFFAOYSA-N	232.243	1.443	50	40	BDGB	
Cc1cccc2c(=O)[nH]c(CCl)nc12	3888463	LTOSAQRHTJQRRM-UHFFFAOYSA-N	208.648	1.970	50	40	BDGB	in-vitro
CC(C)(C)[Si](C)(C)OC[C@@H]1COCC(=O)N1	265540649	LHEXPJVHTNJFSZ-VIFPVBQESA-N	245.395	1.523	50	40	BDGB	
FC(F)CN1CC[C@H](Br)C1	87751642	VGLWDLPGBUVTTH-YFKPBYRVSA-N	214.053	1.721	50	40	BDGB	
O=C(CCl)c1c(O)cc(O)cc1O	1708675	NRQMJSGXCBUQMU-UHFFFAOYSA-N	202.593	1.225	50	40	BDGB	in-vitro
CO[C@@H]1O[C@@H](CCl)[C@@H](Cl)[C@@H](Cl)[C@H]1O	5063267	KZFOYKYGKRJACD-CQOGJGKDSA-N	249.521	1.172	50	40	BDGB	
Cc1c(OCC(=O)NN)ccc2ccccc12	6456085	ODFOGUNJLGCWQO-UHFFFAOYSA-N	230.267	1.517	50	40	BDGB	
CCOC(=O)NNC(=O)[C@H]1CC=CCC1	21770953	GUXNETDDQPXAPN-QMMMGPOBSA-N	212.249	1.120	50	40	BDGB	
Cc1occc1C(=O)N/N=C1/CCCN1	3304999	NYYLVRSENUZFLI-UHFFFAOYSA-N	207.233	1.015	50	40	BDGB	
O=[N+]([O-])c1cccnc1CBr	71255996	BGXQFAXHRDFUEX-UHFFFAOYSA-N	217.022	1.885	50	40	BDGB	
NNC(=O)c1ncoc1-c1ccccc1Cl	226101176	WNVOPOAKTBVPAS-UHFFFAOYSA-N	237.646	1.599	50	40	BDGB	
NC(=O)N/N=C/c1cc(Cl)ccc1O	5670587	FYTANGTYJANJDZ-NYYWCZLTSA-N	213.624	1.048	50	40	BDGB	
CCNC(=O)NC(=O)[C@H](Cl)c1ccccc1	2647846	FXGOPOUEIMROAX-SECBINFHSA-N	240.690	1.812	50	40	BDGB	in-vitro
Cc1ccc[n+](C[C@@H](Br)C(=O)O)c1	4492140	IVHXLLYXCWBJKB-MRVPVSSYSA-O	245.096	1.131	50	40	BDGB	
N/C(=N/OC(=O)CCl)c1ccc(F)cc1	13137976	OBQGNNNYOWZVNZ-UHFFFAOYSA-N	230.626	1.228	50	40	BDGB	
O=C(Br)C(F)(F)Br	4241560	FRTUTWXODRBCOL-UHFFFAOYSA-N	237.825	1.896	50	40	BDGB	biogenic,in-vitro
C[C@H]1CN1[P@](=O)(N1CCCCC1)N1C[C@H]1C	301054444	OCRXPZTTXWTEPZ-HXALFNSMSA-N	243.291	1.989	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	4611298	NQHSVFSMTVQMNF-WTKPLQERSA-N	230.223	1.068	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccc(F)cc1	9190235	JNAXUSULYSUFCQ-OQLLNIDSSA-N	245.257	1.928	50	40	BDGB	
COc1cccc(OCC(=O)CCl)c1	32013002	ZDHYDLQXWMQNTR-UHFFFAOYSA-N	214.648	1.882	50	40	BDGB	
O=C(O)c1cnc(CBr)cn1	82369417	MPMJIWLVFNDGKE-UHFFFAOYSA-N	217.022	1.070	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2O[C@@H]1c1ccccc12	43761753	BHDFLYLGAQQQKR-DSYGGWDXSA-N	217.228	1.227	50	40	BDGB	
CCOC(=O)N/N=C/CBr	29753861	SKENZCBNZGXLMI-QPJJXVBHSA-N	209.043	1.113	50	40	BDGB	in-vitro
O=C1[C@H]2CC[C@@H]([C@@H]1Br)[C@H]2C(=O)O	5046157	DAWDCUWVWJLJCU-MOJAZDJTSA-N	233.061	1.060	50	40	BDGB	
O=C(NNC(=O)c1cccs1)c1ccco1	320264	KCYCNAKUKAQKKO-UHFFFAOYSA-N	236.252	1.416	50	40	BDGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)NC2CC2)o1	2769695	WYBSEBQBPIGMSK-VQHVLOKHSA-N	245.282	1.531	50	40	BDGB	
CCOC(=O)C(=O)NNc1ccc(C)cc1	2301511	HKXACQIBBIQSFW-UHFFFAOYSA-N	222.244	1.001	50	40	BDGB	
COc1cc(C(=O)Cl)ccc1[N+](=O)[O-]	38283934	CCPUOOUROHGAOD-UHFFFAOYSA-N	215.592	1.982	50	40	BDGB	
CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCl	41738703	OIYIAIBDDMXEEP-UHFFFAOYSA-N	242.662	1.792	50	40	BDGB	
O=C(CCl)NC[C@@H]1Cc2ccccc2O1	37993135	ILTSQTKIVKMQTP-VIFPVBQESA-N	225.675	1.345	50	40	BDGB	in-vitro
CC(=O)N/N=C/c1cn(CC#N)c2ccccc12	409014727	YGPSCBVYAHQGEE-OVCLIPMQSA-N	240.266	1.635	50	40	BDGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(N)=O)cc1	82150897	YMGCDMCTJMJAPU-UXBLZVDNSA-N	230.223	1.004	50	40	BDGB	
CCOC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	106523144	HSPWEDHWAWDNSQ-XHNCKOQMSA-N	226.276	1.200	50	40	BDGB	
O=C(O)c1ccc2c(=O)[nH]c(CCl)nc2c1	6508144	LRLKSPKVLXAACO-UHFFFAOYSA-N	238.630	1.360	50	40	BDGB	
CN(C)c1ccc([C@@H]2NC[C@H](CCl)O2)cc1	36097597	AGJRWWYVQQFNKV-NWDGAFQWSA-N	240.734	1.978	50	40	BDGB	
COC(CSSCC(OC)OC)OC	96031945	QMQRLQGOSNVBNO-UHFFFAOYSA-N	242.362	1.606	50	40	BDGB	in-vitro
C[n+]1cccc(C(=O)N/N=C/c2ccccc2)c1	1759203	JVVIBEVFRKFGHF-XNTDXEJSSA-O	240.286	1.275	50	40	BDGB	
O=C(N/N=C/c1cccnc1)c1ccccn1	50832	VPHZOSYFXOZIOS-OQLLNIDSSA-N	226.239	1.241	50	40	BDGB	
CNC(=O)[C@@H]1CCCC[C@H]1Br	1578058	JESFBRDANDJQKC-RNFRBKRXSA-N	220.110	1.686	50	40	BDGB	
CC1(C)CCC(=O)[C@@H](Br)C1=O	115405982	VECZBRLUEAFWGF-ZCFIWIBFSA-N	219.078	1.708	50	40	BDGB	
Cc1ccccc1/C=C(/C#N)C(=O)N(C)C	59333581	NIQOKZWSNGKXPF-WQLSENKSSA-N	214.268	1.990	50	40	BDGB	
NC(=O)N/N=C1\C[C@@H]2CC[C@@H]1[C@@H]2Cl	104100274	MPUNFINCFBUCGI-IFGKTRFYSA-N	201.657	1.048	50	40	BDGB	
O=C(CCl)N1CCCCSCC1	225802251	UVPJWKGKHORVIG-UHFFFAOYSA-N	207.726	1.581	50	40	BDGB	
C/C(=N/NC(=O)c1cc(C)[nH]n1)C(C)(C)C	13111671	RRCQXKXYASCIBU-JYRVWZFOSA-N	222.292	1.870	50	40	BDGB	
CO/C(N)=C(C#N)/N=C/c1ccccc1	17721922	IWTPAHMQALWGHK-QJYCHBTISA-N	201.229	1.403	50	40	BDGB	
ClCCn1nc(Cl)nc1Cl	66442682	JSZSDQCDBPQPPC-UHFFFAOYSA-N	200.456	1.824	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	63498	PVTUXLIWSQLDRD-DHZHZOJOSA-N	230.267	1.833	50	40	BDGB	
CSc1ccc(/C=N\NC(N)=O)cc1	33443773	PVTKETMBAUGQMB-WDZFZDKYSA-N	209.274	1.411	50	40	BDGB	
COC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1	5526093	FYSGZDRJAPWWTK-UITAMQMPSA-N	232.195	1.675	50	40	BDGB	
COC(=O)NN=C1C(C)(C)C(=O)C1(C)C	1627784	QZSZSDOXROKPFH-UHFFFAOYSA-N	212.249	1.334	50	40	BDGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CO)cc1	58883518	NSQRPIZXJBRZPP-RIYZIHGNSA-N	234.299	1.427	50	40	BDGB	
C[C@]12C=C[C@@](C)(O1)[C@@H](Cl)C(=O)[C@H]2Cl	100350920	PXHBVEGSUFMYSU-BZNPZCIMSA-N	221.083	1.888	50	40	BDGB	
C[C@@]12CC[C@@](CN)(O1)[C@H](Cl)C(=O)[C@@H]2Cl	68569583	SZZBBLJVLKKXTG-KZVJFYERSA-N	238.114	1.051	50	40	BDGB	
NNC(=O)[C@H]1SCCc2ccccc21	62714331	WEJCQPITYOSFKE-VIFPVBQESA-N	208.286	1.007	50	40	BDGB	
CC1(C)[C@@H]2C[C@H]1CCC/C2=N\NC(N)=O	43762137	CCBIPOQAEMMFRA-YHXSJSOESA-N	209.293	1.857	50	40	BDGB	
OCc1ccc(CBr)cn1	199524011	KFBVGWCRYRMQQB-UHFFFAOYSA-N	202.051	1.469	50	40	BDGB	
CSc1c(CC(=O)NN)n(C)c2ccccc12	380845	DFLFGMBRWHOGRW-UHFFFAOYSA-N	249.339	1.433	50	40	BDGB	
COc1ccc2c(c1)CCN2C(=O)CCl	34741182	SBNUSLBJNNOSFI-UHFFFAOYSA-N	225.675	1.823	50	40	BDGB	
C[C@H](Cl)C(=O)Nc1ccnc(N(C)C)c1	257197695	GNMYGOLNMUITPL-ZETCQYMHSA-N	227.695	1.713	50	40	BDGB	
NC(=O)N/N=C/c1c(F)cccc1Cl	3469241	AKNOAUAWSLVZHF-UUILKARUSA-N	215.615	1.481	50	40	BDGB	
CC(C)(O)[C@@H](Br)CBr	5452558	PJEOPLWYHUCKPD-BYPYZUCNSA-N	245.942	1.916	50	40	BDGB	
Br[C@@H]1COC2(CCNCC2)C1	13609496	RQNCOCBSTBVUCB-ZETCQYMHSA-N	220.110	1.292	50	40	BDGB	
CCN(CC)c1ccc(/C=N/NC(=O)CC#N)o1	59140341	GOYPLFOIKNXJLG-NTEUORMPSA-N	248.286	1.490	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccccc1	3245269	JRXKLRZWUZJNHI-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	in-vitro
CN1CCC(CN(C(=O)CCl)C2CC2)CC1	79406753	GHUZNBXJHGCPLH-UHFFFAOYSA-N	244.766	1.558	50	40	BDGB	
[C-]#[N+][C@H](Cc1ccccc1)C(=O)NCC=C	104899269	ZFRMZJKCSJCRLK-GFCCVEGCSA-N	214.268	1.819	50	40	BDGB	
O=C1OCCN1CCCBr	36723842	OVUSZVOVNZLPCO-UHFFFAOYSA-N	208.055	1.224	50	40	BDGB	in-vitro
O=S1(=O)CCC(CCBr)CC1	575440920	ZDDVGCKHSDOUNS-UHFFFAOYSA-N	241.150	1.596	50	40	BDGB	
O=C1C[C@@H]2[C@@H](C(=O)O)[C@@H]1C[C@H]2Br	225629607	BXXPKNCQABBGDK-TWLZVZROSA-N	233.061	1.060	50	40	BDGB	
COc1ccccc1OCC(=O)NN=C(C)C	5495222	LHTWJUQZBPEXNN-UHFFFAOYSA-N	236.271	1.586	50	40	BDGB	
O=C(Cl)[C@H]1CCCN1C(=O)C(F)(F)F	2539358	NUOYJPPISCCYDH-SCSAIBSYSA-N	229.585	1.305	50	40	BDGB	
CCOC(=O)/C(C#N)=C/C=C1C=CN(C)C=C1	536341	AXXFEWVWZFNYQV-LFYBBSHMSA-N	230.267	1.899	50	40	BDGB	
CCCN1CCC(=NNC(=O)OC)CC1	55072073	LJKMYHNWIRPVOA-UHFFFAOYSA-N	213.281	1.204	50	40	BDGB	
NNC(=O)c1cc2c(F)cccc2s1	36533767	YXEUMNSKDDRVCI-UHFFFAOYSA-N	210.233	1.644	50	40	BDGB	
ClCCNC[C@H]1COc2ccccc2O1	1634189	PKZFUWGMQAHXSA-VIFPVBQESA-N	227.691	1.655	50	40	BDGB	
CC(C)C(=O)NN/C=C/C(=O)c1ccccc1	5293721	USQFOMFSQROAAQ-CMDGGOBGSA-N	232.283	1.660	50	40	BDGB	
O=C1O[C@H](O)C(C(Cl)Cl)=C1Cl	8585870	WNTRMRXAGJOLCU-BYPYZUCNSA-N	217.435	1.158	50	40	BDGB	in-vitro
CCOC(=O)NNC1=CC(=O)CC(C)(C)C1	4575237	GMOMCVQHDUVJLG-UHFFFAOYSA-N	226.276	1.510	50	40	BDGB	
O=C(Cl)c1ccc(Cn2cnnc2)cc1	70461762	RMCCEDYNIROJQA-UHFFFAOYSA-N	221.647	1.705	50	40	BDGB	
CS(=O)(=O)c1ccc(C(=O)CCl)cc1	43674171	AXIVKGQGCMDXMM-UHFFFAOYSA-N	232.688	1.512	50	40	BDGB	
O=C(Cl)c1ccc(-n2nccn2)cc1	113901174	VCJGPVNAGVMHTF-UHFFFAOYSA-N	207.620	1.646	50	40	BDGB	
CCc1ccc(NCCC(=O)NN)cc1	58848283	KPKNMJVHUNZSGI-UHFFFAOYSA-N	207.277	1.041	50	40	BDGB	
C[C@@H]1CO[C@@H]([C@@H]2C[C@@H]3C[C@@H]2[C@H](O)[C@@H]3Cl)O1	100927064	ALRFFJGNNDCJFL-PCYKXVLZSA-N	232.707	1.372	50	40	BDGB	
CC(C)Oc1ccc(CC(=O)NN)cc1Cl	20134059	HZYPPBPYTKOPET-UHFFFAOYSA-N	242.706	1.660	50	40	BDGB	
Cn1c(=O)oc2cc(C(=O)CCl)ccc21	33824867	VDISGHMLFHYHFJ-UHFFFAOYSA-N	225.631	1.553	50	40	BDGB	in-vitro
O=C(Cl)c1ccc(N2CCOCC2)cc1	14982870	QYRFXSATEZBGOS-UHFFFAOYSA-N	225.675	1.902	50	40	BDGB	
CCOC(=O)NNC(=O)C1CCCCCC1	72077952	LHURIDGZAYMXEX-UHFFFAOYSA-N	228.292	1.734	50	40	BDGB	
NNC(=O)c1ccc(CC2CCCCC2)[nH]1	226024493	ORMJHFNCRYCQSY-UHFFFAOYSA-N	221.304	1.741	50	40	BDGB	
CCNC(=O)NNC(=O)Nc1ccccc1	46906605	JBVFIVVOMFNYTA-UHFFFAOYSA-N	222.248	1.042	50	40	BDGB	
Cn1c(CBr)nnc1C1CC1	96515838	PYSSOPKXKVVJSR-UHFFFAOYSA-N	216.082	1.587	50	40	BDGB	
CCOc1cc(/C=N/NC(C)=O)ccc1O	5336099	PFORSWNSPZPDEQ-KPKJPENVSA-N	222.244	1.261	50	40	BDGB	
C=C(C)C(=O)OC[Si](C)(C)OCC	169909694	DNQFCBLYUTWWCH-UHFFFAOYSA-N	202.326	1.887	50	40	BDGB	
COC(=O)N/N=C/c1cc(OC)ccc1O	1740199	AOILYTWFGHESEQ-IZZDOVSWSA-N	224.216	1.091	50	40	BDGB	
NNC(=O)c1cc2cc(F)ccc2s1	37388167	QJLAXMOEOLBVHO-UHFFFAOYSA-N	210.233	1.644	50	40	BDGB	
COc1cccc(CNC(=O)[C@H](C)Cl)c1	37389513	BUBSXOOGFLDARH-QMMMGPOBSA-N	227.691	1.939	50	40	BDGB	in-vitro
O=C(CCl)Nc1nc2c(s1)CCC2	42315561	JRHGKKOMFOJBAD-UHFFFAOYSA-N	216.693	1.809	50	40	BDGB	in-vitro
Cn1cccc1C(=O)NNC(=O)c1ccccc1	32998180	PLINRZOKTOFVDH-UHFFFAOYSA-N	243.266	1.100	50	40	BDGB	
CC(=O)N[C@H]1CCC(=O)[C@@H](Br)C1	90759691	WBTGJPGTKKCSKY-BQBZGAKWSA-N	234.093	1.008	50	40	BDGB	
O=CNNC(=S)Nc1cccc2ccccc12	16973013	VPOTVISRTJNBDL-UHFFFAOYSA-N	245.307	1.787	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc(F)cc1	3525097	RFFBXECKUWIUPW-OVCLIPMQSA-N	231.230	1.918	50	40	BDGB	
CN(C1CC1)[C@H]1CC[C@H](NC(=O)CCl)CC1	100178321	AZVACEOZKREDDE-AOOOYVTPSA-N	244.766	1.747	50	40	BDGB	
N=C(N)c1cccc(CBr)n1	71186716	IPGQXUAJAROQCM-UHFFFAOYSA-N	214.066	1.261	50	40	BDGB	
CCn1c(CCl)cnc1S(C)(=O)=O	47219290	RXKDXLFCKPYUHN-UHFFFAOYSA-N	222.697	1.045	50	40	BDGB	
O=C1O[C@@H](O)C(C(Cl)Cl)=C1Cl	5783651	WNTRMRXAGJOLCU-SCSAIBSYSA-N	217.435	1.158	50	40	BDGB	in-vitro
N#CC1=C(O)SC(N)=C2C(=N)n3cccc3[C@@H]12	125454	FAJGGZJUMYDNKF-SSDOTTSWSA-N	244.279	1.621	50	40	BDGB	
C/C(=N/NC(=O)c1ccccn1)c1cccnc1	5033487	UWRYISJANYVODR-YBEGLDIGSA-N	240.266	1.631	50	40	BDGB	
CNC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	6179047	QGXSHYHDZPHQMW-RMKNXTFCSA-N	225.251	1.821	50	40	BDGB	
Cc1ccc([C@H](O)[C@H](Cl)S(C)(=O)=O)cc1	96518864	PLHHEYQCXGSEKT-VHSXEESVSA-N	248.731	1.638	50	40	BDGB	
N#C/C(=C\c1ccc[nH]1)C(=O)NC[C@@H]1CCCO1	137297	UXZVIKQMTXXROW-PMDBQALLSA-N	245.282	1.217	50	40	BDGB	
S=C=Nc1cccc(-n2cnnn2)c1	11690072	HEBFONWKMRNXHZ-UHFFFAOYSA-N	203.230	1.397	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1cccc(O)c1	40889263	XIFDLZVZTSXQNT-WDZFZDKYSA-N	230.267	1.824	50	40	BDGB	
CCC(=O)N/N=C/c1ccc2c(c1)OCO2	3160796	PAAAEXZGLFOKGZ-WUXMJOGZSA-N	220.228	1.275	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\C=C\c1ccco1	48289514	MVWRUYMCBYOWFO-QXYPORFMSA-N	223.253	1.745	50	40	BDGB	
COc1ccc(Cl)cc1NC(=O)NN	34977776	UAAHLIAMEIDQCL-UHFFFAOYSA-N	215.640	1.344	50	40	BDGB	
O=C(CCl)Nc1ccn(CC2CCC2)n1	96509094	GGXXLCYDNGWOSS-UHFFFAOYSA-N	227.695	1.861	50	40	BDGB	
CC(=O)[C@@H]1C(=O)CC(C)(C)[C@H](Cl)C1=O	100001593	BHVFIYRNSPTPPG-VXNVDRBHSA-N	216.664	1.367	50	40	BDGB	
O=C(Cl)c1nccnc1C(=O)Cl	100729365	ZRCHWSFIGKSJTJ-UHFFFAOYSA-N	205.000	1.235	50	40	BDGB	
O=C(CBr)c1cncc(F)c1	96379055	ZJJCBRLHVVJSRV-UHFFFAOYSA-N	218.025	1.798	50	40	BDGB	in-vitro
CN(C)C=C(I)C=O	1857524529	AHWCNVWCBYBGQI-UHFFFAOYSA-N	225.029	1.023	50	40	BDGB	
COc1cc2c(cc1OC)/C(=C/C#N)NCC2	165252	KHZAKBHKVKPSDN-JYOAFUTRSA-N	230.267	1.714	50	40	BDGB	
CC(=O)NC/C(C)=N/NC(=O)OC(C)(C)C	12362407	YEZXIJMQNMLTGU-KPKJPENVSA-N	229.280	1.023	50	40	BDGB	
O=C(NNC(=O)c1ccsc1)c1cccnc1	27634918	KNKDOUCCYKWSSO-UHFFFAOYSA-N	247.279	1.218	50	40	BDGB	
CC(=O)NCc1ccc(C(=O)CCl)cc1	3407971	RDOCZJFXANZQGR-UHFFFAOYSA-N	225.675	1.744	50	40	BDGB	in-vitro
O=C(N/N=C1/CCn2cccc21)NC1CCCC1	65672312	ONONUTYTZLNLBC-PTNGSMBKSA-N	246.314	1.838	50	40	BDGB	
O=C(O)C(=O)NNc1ccc(Cl)cc1Cl	38342300	LEIUKVPEVMKZOI-UHFFFAOYSA-N	249.053	1.521	50	40	BDGB	in-vitro
CC(C)N(CC(=O)c1ccco1)C(=O)CCl	79436132	BPJBKWPKJBPLJK-UHFFFAOYSA-N	243.690	1.938	50	40	BDGB	
CC(C)(C)NC(=O)CCBr	41696189	PGIMSAROXCGJAZ-UHFFFAOYSA-N	208.099	1.686	50	40	BDGB	
O=C(NNC(=O)C1CCC1)c1ccc(F)cc1	5558092	WFQQJOQOFJREPE-UHFFFAOYSA-N	236.246	1.387	50	40	BDGB	
COC(=O)C1CCN(C(=O)[C@@H](C)Cl)CC1	19430744	XDISJWHUULUQQM-SSDOTTSWSA-N	233.695	1.025	50	40	BDGB	in-vitro
NNC(=O)c1ccnc(C2CCCC2)c1	217630854	BOWPMWALBFMHNK-UHFFFAOYSA-N	205.261	1.343	50	40	BDGB	
BrCCCCCn1cncn1	70049442	HWYYZWYRICEUDC-UHFFFAOYSA-N	218.098	1.843	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1cnc(C)o1	100205521	KHTKWEOVBRXZHO-YVMONPNESA-N	221.216	1.366	50	40	BDGB	
C[C@@H]1CN(C(=O)CCl)CC(C)(C)O1	45707587	ZPOUARKIZOSMFF-SSDOTTSWSA-N	205.685	1.251	50	40	BDGB	
Cc1onc(-c2ccccc2F)c1C(=O)NN	223465400	MSTNQFOKJHZLCD-UHFFFAOYSA-N	235.218	1.393	50	40	BDGB	
O=C(CBr)NCC(F)(F)F	82506121	PLZAMEHPWIQVJS-UHFFFAOYSA-N	219.988	1.060	50	40	BDGB	
O=C(CCl)Nc1cnn(CCCCF)c1	96509083	IAVHXLFLILAUHF-UHFFFAOYSA-N	233.674	1.810	50	40	BDGB	
O=C(N/N=C\c1ccccn1)c1ccccc1	5760729	FEHWEDNVSQUYNH-GDNBJRDFSA-N	225.251	1.846	50	40	BDGB	
CN1C[C@H](c2cccc(O)c2)OC1=C(C#N)C#N	239563250	ZLDAJEYACLZXQL-GFCCVEGCSA-N	241.250	1.654	50	40	BDGB	
O=C(O)C1C[C@H](Cl)C(O)[C@H](Cl)C1	1578658	JNUHWTZADSDQNU-OGUXDVAJSA-N	213.060	1.057	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(OC)c(O)c1	31687260	MLAUWISSFANCPN-GHXNOFRVSA-N	238.243	1.481	50	40	BDGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(N)=O	33424867	CSAOTRPXJJNCSF-TWGQIWQCSA-N	225.251	1.869	50	40	BDGB	
O=C1[C@@H]2[C@H]3[C@H]4[C@@H]5C[C@@H]([C@@H]14)[C@H]2[C@H]5[C@H]3Br	195529074	AMHCEXBDUDDEPZ-YJLRAPOFSA-N	239.112	1.707	50	40	BDGB	
COc1c(C)cnc(CNC=C(C#N)C#N)c1C	50530168	VIQOOFGAEGVERJ-UHFFFAOYSA-N	242.282	1.728	50	40	BDGB	
CC1=C(C)[C@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12	104281647	BDIHXCWQHPNJAL-PYZHKEBXSA-N	230.263	1.700	50	40	BDGB	
N#C/C(=C\c1cc(Cl)ccc1O)C(N)=O	3120176	FNOYJMPRVSISDW-XVNBXDOJSA-N	222.631	1.438	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)C(C)(C)C)n1	21127194	QZIHCMJSOUUMIU-UHFFFAOYSA-N	222.292	1.583	50	40	BDGB	
NC(=O)CCN(C(=O)CCl)c1ccccc1	6240482	DKTGWDULSQTBRN-UHFFFAOYSA-N	240.690	1.134	50	40	BDGB	
O=C(CCCl)NCc1ccc2c(c1)OCO2	6335296	VRLGPQPRRWYMMJ-UHFFFAOYSA-N	241.674	1.660	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccc(C(=O)O)cc1	408760719	OMUKWUTYUXCDQX-QPEQYQDCSA-N	234.255	1.491	50	40	BDGB	
CCOc1ccc(O)c(/C=N/NC(C)=O)c1	44059823	WWSLBLUIMWMMOU-KPKJPENVSA-N	222.244	1.261	50	40	BDGB	
COc1cc2c(cc1OC)/C(=C\C#N)NCC2	95628208	KHZAKBHKVKPSDN-QDEBKDIKSA-N	230.267	1.714	50	40	BDGB	
N/C(CCl)=N\OC(=O)c1cccs1	4289187	XLWVOJGURWJYRE-UHFFFAOYSA-N	218.665	1.416	50	40	BDGB	
O=C(NN=C1CCCCC1)C(=O)N1CCCC1	58885665	GRJVDPXXVLITRX-UHFFFAOYSA-N	237.303	1.045	50	40	BDGB	
CC(C)(C)OC(=O)C[C@H](O)C[C@H](O)CCl	45331547	FIKPWJZUGTVXCO-SFYZADRCSA-N	238.711	1.069	50	40	BDGB	in-vitro
CC/C(=N\NC(=O)OC)c1ccc(O)cc1	4600175	FMLCPGCPZLBQBP-ZRDIBKRKSA-N	222.244	1.862	50	40	BDGB	
Cc1cc(O)c(C(=O)CBr)c(=O)o1	85210013	HRRBHKOPCDYTJT-UHFFFAOYSA-N	247.044	1.231	50	40	BDGB	
O=C(O)[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	98090360	DMFWSPKIXOHWGL-ZETCQYMHSA-N	215.592	1.959	50	40	BDGB	
CC(=O)N/N=C/c1ccc2c(c1)CCC2	1601754	GBNUNRCXSLFOPN-MDWZMJQESA-N	202.257	1.645	50	40	BDGB	
CCCNC(=O)NNC(=O)NC1CCCCC1	2683963	WJDRXXTVBVQKFC-UHFFFAOYSA-N	242.323	1.243	50	40	BDGB	
O=C(N/N=C\c1ccco1)N/N=C/c1ccco1	4706265	CKCJEXVEYBYRIP-HAKHBUOSSA-N	246.226	1.540	50	40	BDGB	
COC(=O)NNC(=O)c1ccc(Cl)cc1	492103	LDCKPZZMYQKEJF-UHFFFAOYSA-N	228.635	1.341	50	40	BDGB	
CCOC(=O)c1ccnc(CCl)n1	91369056	BWWVNTAOLMMBDZ-UHFFFAOYSA-N	200.625	1.392	50	40	BDGB	
NC(=O)N/N=C1/C=C2CCCC[C@H]2CC1	5084512	UJTKFUKIJCHXPZ-AAGIXAJBSA-N	207.277	1.921	50	40	BDGB	
N#C/C(=C/Nc1ccccn1)C(=O)C1CC1	100134485	GUJHVNHITJUTSX-NTMALXAHSA-N	213.240	1.880	50	40	BDGB	in-vitro
C[C@H](Cl)C(=O)NC(=O)NC1CCCCC1	3277798	OQFYKJXOOAHKPK-ZETCQYMHSA-N	232.711	1.772	50	40	BDGB	
CCOC(=O)c1nsnc1NCCCl	2361935	BPFJOQLHZZQXKA-UHFFFAOYSA-N	235.696	1.366	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1cccc(C)n1	20608996	HVNRMIBBIMPHER-JXMROGBWSA-N	216.240	1.860	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C/c1cccc(O)c1	6022238	GCEYIULIKYHTOM-YRNVUSSQSA-N	228.251	1.601	50	40	BDGB	
O=C(CCl)Nc1ncccc1Cl	369979	UVBDACGOATWKDP-UHFFFAOYSA-N	205.044	1.912	50	40	BDGB	
COc1ccc(/C=N/NC(C)=O)cc1C	54278749	RBWWHYNRIIYQFR-KPKJPENVSA-N	206.245	1.474	50	40	BDGB	
CC(C)(/C=N/O)NNC(=O)c1ccccc1	103550505	NQQAQDDXJLSECM-XYOKQWHBSA-N	221.260	1.160	50	40	BDGB	
C/C(=N\NC(=O)CC1(C)OCCO1)C(C)(C)C	408779928	NSGZYCAUBXCMDE-UKTHLTGXSA-N	242.319	1.678	50	40	BDGB	
CC(=O)Nc1ccc(/C=C(/C#N)C(N)=O)cc1	12367942	KZYALRXGZUUWDD-POHAHGRESA-N	229.239	1.037	50	40	BDGB	
C[C@H]1CN1[P@](=O)(N1CCCC1)N1C[C@H]1C	301054472	RWWTZZHUOSWAPK-RSZDDRISSA-N	229.264	1.599	50	40	BDGB	
Cc1c(/C=C(/C#N)S(C)(=O)=O)cc(C#N)n1C	96765727	QWQJVGUVJKQWRI-WZUFQYTHSA-N	249.295	1.114	50	40	BDGB	
O=C(CCCl)c1ccc2[nH]c(=O)oc2c1	36439254	MXIZTDFUEUBMPE-UHFFFAOYSA-N	225.631	1.933	50	40	BDGB	
O=C1N(C2CCC2)CC1(CCl)CCl	1535647328	KTABCTITGRYDEK-UHFFFAOYSA-N	222.115	1.845	50	40	BDGB	
O=C(O)CN1CCC[C@@H](CBr)C1	79390367	SHPRBRKQVGAKGT-ZETCQYMHSA-N	236.109	1.178	50	40	BDGB	
NC(=O)N/N=C1\C=C2CCCC[C@@H]2CC1	16930051	UJTKFUKIJCHXPZ-ZGFGWORNSA-N	207.277	1.921	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	101744	ASMATNCOGPXLKV-RMKNXTFCSA-N	232.195	1.675	50	40	BDGB	
CC(C)(C)C(=O)NNC(=O)c1ccccc1F	11639100	LWYXAZONYWACOB-UHFFFAOYSA-N	238.262	1.633	50	40	BDGB	
CCC[C@@H](Oc1ccccc1)C(=O)NN	7262942	FMKOMXNEUCBVAE-SNVBAGLBSA-N	208.261	1.224	50	40	BDGB	
O=C(N/N=C\c1ccccn1)c1ccc(F)cc1	5605172	TXJNYKKLAXFUIO-SXGWCWSVSA-N	243.241	1.985	50	40	BDGB	
CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1	5282428	MRHQIQCMOLTESV-RIYZIHGNSA-N	233.271	1.505	50	40	BDGB	
CC(C)c1ccccc1NC(=O)CCC(=O)NN	1613941	SJOHATLHQJZFIH-UHFFFAOYSA-N	249.314	1.519	50	40	BDGB	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CC1	102222681	BBCVYZXZPOOMLI-LSJOCFKGSA-N	236.315	1.370	50	40	BDGB	
CO[C@@H]1CC[C@H]2N[C@@H](Cl)C[C@@H](C(=O)O)[C@@H]2C1	4532484	CWGRCZUHVKLQCS-JDDHQFAOSA-N	247.722	1.429	50	40	BDGB	
O=[S@](Cl)OCC(F)(F)C(F)F	97957398	GCKJFBPFDKPCIF-LLVKDONJSA-N	214.567	1.721	50	40	BDGB	
N[C@@H](NC(=O)c1ccccc1)C(Cl)Cl	3132156	XWNTYICHEOUUJO-QMMMGPOBSA-N	233.098	1.505	50	40	BDGB	
COc1ccc(C(=O)NN=C(C)C)cc1OC	1457926	AYBXWBARWWRNFN-UHFFFAOYSA-N	236.271	1.829	50	40	BDGB	
COC(=O)N1CC[C@@H]2[C@H](C)C=C(C#N)O[C@H]21	4267687	LWFJZAAHBCLHQF-SZEHBUNVSA-N	222.244	1.475	50	40	BDGB	biogenic
COC(=O)NNC(=O)c1ccc2ccccc2c1	9316892	FSDYIBPQSLVLMP-UHFFFAOYSA-N	244.250	1.841	50	40	BDGB	
NC(=O)N/N=C\c1ccc(-c2ccccc2)o1	33287952	OEXTZFFHFSVLLY-ZSOIEALJSA-N	229.239	1.949	50	40	BDGB	
C[C@H](C(=O)NCCCCl)N1CCCC1	575423391	MTZGPSIZHNDVFI-SECBINFHSA-N	218.728	1.216	50	40	BDGB	
Cc1ccc(/C=N\NC(=O)c2cccnc2)o1	13114965	ZGZMHLUNDKKGTA-ZSOIEALJSA-N	229.239	1.747	50	40	BDGB	
CS/C(=N\NC(N)=O)c1ccccc1	13111794	JFGJQUFXMLQWCD-FLIBITNWSA-N	209.274	1.380	50	40	BDGB	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CCl	60273308	RVMIESYPNSHJQN-ZJUUUORDSA-N	233.739	1.937	50	40	BDGB	in-vitro
CCOCc1cc(C(=O)NN)ccc1OCC	224691487	OLQIYIPQHDJGLJ-UHFFFAOYSA-N	238.287	1.225	50	40	BDGB	
O=C1Nc2ccccc2[C@@]12OC[C@@H](CCl)O2	319763	CQNUSAFUUVZRFL-HQJQHLMTSA-N	239.658	1.446	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1cccc(Cl)c1	11638428	MYMKCHXFMJCETA-UHFFFAOYSA-N	240.690	1.757	50	40	BDGB	
O=C1OC(=O)[C@H]2Cc3ccccc3C[C@H]12	104254991	DRWNBWIQWWUIQM-UWVGGRQHSA-N	202.209	1.101	50	40	BDGB	
NC(=O)[C@@H](Br)c1ccc(F)cc1	9646677	FDWUBKJXMHZBKT-ZETCQYMHSA-N	232.052	1.747	50	40	BDGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(N)=O	2044167	NLJUQIIPXVMEAA-YVMONPNESA-N	211.224	1.560	50	40	BDGB	
N/C(=N\OC(=O)CCCCl)c1cccs1	39947478	GZVDRZSHXMCMKH-UHFFFAOYSA-N	246.719	1.931	50	40	BDGB	
CC1(CCCBr)OCCO1	34217295	VMAKIQSICJHVNP-UHFFFAOYSA-N	209.083	1.925	50	40	BDGB	
Cc1cccc(/C=C2/C(=O)ON=C2CCl)n1	34926752	WUSQFNASQZRRHX-WEVVVXLNSA-N	236.658	1.925	50	40	BDGB	
O=C1N[C@@H](Cc2cccc(F)c2)C(=O)O1	238531860	AQPGFQSDVCECCV-QMMMGPOBSA-N	209.176	1.003	50	40	BDGB	
O=C(Cl)c1nn(CCF)cc1[N+](=O)[O-]	238853245	ITNHDHFLBFRGNA-UHFFFAOYSA-N	221.575	1.140	50	40	BDGB	
O=C(CCl)NC[C@H]1C[C@H]2CC[C@H]1C2	100977050	DEMBNIDNLWDHLT-XHNCKOQMSA-N	201.697	1.778	50	40	BDGB	
CCN(CC)c1ccc(/C=N/NC(=O)NN)cc1	1598007	ZKKFLUYIRJIUOT-NTEUORMPSA-N	249.318	1.040	50	40	BDGB	
CN(C)NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C	100920566	ZOWUKHDWXBXXHT-STQMWFEESA-N	238.331	1.365	50	40	BDGB	
N#CC1(NC(=O)CCl)CCCCC1	1700819	INVCOUXWXSTWNE-UHFFFAOYSA-N	200.669	1.568	50	40	BDGB	in-vitro
CCC(=O)N/N=C(/C)CC(=O)N[C@@H](C)CC	14923391	BOMJWWBMUWBYJA-PHAVJPBESA-N	227.308	1.193	50	40	BDGB	
CN1CCC[C@@H](CN(C)C(=O)CCl)C1	79406476	CEIIIVSFGBJANK-SECBINFHSA-N	218.728	1.025	50	40	BDGB	
CCCC(=O)NNC(=O)c1cccs1	4833049	WNDZRJXHRRHTNA-UHFFFAOYSA-N	212.274	1.309	50	40	BDGB	
CC1=CC=CC(C)(C)C/C1=N/NC(N)=O	100363324	MEJLUZDQBYIVSR-LCYFTJDESA-N	207.277	1.943	50	40	BDGB	
COC(=O)c1ccc(CBr)o1	1238920	WHBQNMWZLZKDSD-UHFFFAOYSA-N	219.034	1.961	50	40	BDGB	
O=C(CCl)c1cccc2c1OCCO2	87224400	OZIKDYNLMIIFQE-UHFFFAOYSA-N	212.632	1.879	50	40	BDGB	in-vitro
O=C(CSS(=O)(=O)O)c1ccccc1	1593156	JORKJLCJZFWNCV-UHFFFAOYSA-N	232.282	1.405	50	40	BDGB	
NNC(=O)CCn1c2c(c3ccccc31)CCC2	1496877	VUIMMJQTMHXXLU-UHFFFAOYSA-N	243.310	1.510	50	40	BDGB	
COc1ccc(/C(C)=N\NC(N)=O)c(OC)c1	35088247	NTJHYDZZYDISDC-QPEQYQDCSA-N	237.259	1.096	50	40	BDGB	
O=C(N/N=C\c1ccncc1)c1ccncc1	31623938	RVAFAIOWXGOYMP-DHDCSXOGSA-N	226.239	1.241	50	40	BDGB	
CC1=C/C(=N\NC(N)=O)[C@H]2C[C@@H]1C2(C)C	4837601	AMCLRNJZSCFOAC-FAQBKWHKSA-N	207.277	1.633	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C/c1cccnc1	7165363	BEXFASSOPPNCSB-IZZDOVSWSA-N	215.256	1.513	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12	100366506	VFNYTWHRVSBLAG-ULBNLAEVSA-N	205.261	1.243	50	40	BDGB	
O=C(Cl)c1nc2ccccc2nc1O	95704877	KIIWGPZEEJHPDA-UHFFFAOYSA-N	208.604	1.714	50	40	BDGB	
Cc1cc(Br)ccc1NC(=O)NN	36948036	MGNDMARZRZMTCT-UHFFFAOYSA-N	244.092	1.753	50	40	BDGB	
C[C@@H](Br)C(=O)N1CCCC1	39055461	NAADBKOUMIMVHO-ZCFIWIBFSA-N	206.083	1.392	50	40	BDGB	
CN(C)/C=C(\C=O)c1ccc2c(c1)OCO2	71255500	XUWRSNKOGBBERV-UXBLZVDNSA-N	219.240	1.517	50	40	BDGB	
COC(=O)[C@H]1[C@@H]2CC(=O)[C@@H]1C[C@H]2Br	242498516	HJVJEVYKBDLXPL-FUYZFFOTSA-N	247.088	1.148	50	40	BDGB	
CCOC(=O)/C(C#N)=C\NC(=O)NC(C)(C)C	13576857	OBIIYXBKSAHNLD-FPLPWBNLSA-N	239.275	1.055	50	40	BDGB	
NC(=O)N/N=C1\CCCC[C@@H]1c1ccccn1	13618937	BHSRKLPMJGOGMM-DXXBARHASA-N	232.287	1.764	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	33413559	TYZHMCBEWHZKLQ-JXMROGBWSA-N	244.250	1.567	50	40	BDGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(N)=O	101665287	HGKFDXYMYDSWIH-GXYVHITOSA-N	207.277	1.633	50	40	BDGB	
O=C1OC(=O)[C@@H]2C[C@@H](Cl)[C@@H](Cl)C[C@@H]12	104146828	WPQLFXWNCAIUOG-KAZBKCHUSA-N	223.055	1.311	50	40	BDGB	
COc1cc(C(=O)NN)ccc1OCC(C)C	33790339	HNEWYJRVBLTYQO-UHFFFAOYSA-N	238.287	1.334	50	40	BDGB	
C[C@@H](c1cnccn1)N(C(=O)CCl)C1CC1	79435580	QAVUWZWFGXNQFB-QMMMGPOBSA-N	239.706	1.767	50	40	BDGB	
Cc1ccc([C@@H](O)[C@@H](Cl)S(C)(=O)=O)cc1	96518867	PLHHEYQCXGSEKT-ZJUUUORDSA-N	248.731	1.638	50	40	BDGB	
COc1ccc(Cl)cc1C/C=N\NC(N)=O	5031034	DILOCXNRIUWHML-ACAGNQJTSA-N	241.678	1.545	50	40	BDGB	
CCOC(=O)CC[C@H](N=C=S)C(=O)OCC	2528099	BEIMBFWLTYKYLU-QMMMGPOBSA-N	245.300	1.364	50	40	BDGB	
CC(=N/NC(=O)c1ccncc1)/C(C)=N/O	100921738	FCDLMCBKQLRKSA-FHGRNIPQSA-N	220.232	1.037	50	40	BDGB	
FCC(I)CF	1772715263	KWGACPKPUJYFKZ-UHFFFAOYSA-N	205.973	1.729	50	40	BDGB	
CC(=O)N/N=C(\C)c1cnc2ccccc2n1	16136821	CADRCGMOUKUMKX-OVCLIPMQSA-N	228.255	1.490	50	40	BDGB	
C[C@@]1(CCl)CN1S(=O)(=O)c1ccccc1	4190317	RUAPLDLQHBIJCW-RWANSRKNSA-N	245.731	1.688	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C=C(C5CC5)[C@@H]34)[C@@H]12	104188396	CFDWKHCYBDTMRV-WXQWFHJZSA-N	242.274	1.700	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc(-n2ccnc2)cc1	5071355	UMGKWSJBEGLAQO-OQLLNIDSSA-N	243.270	1.265	50	40	BDGB	
NNC(=O)c1ccnc(C2CCCCC2)c1	146828979	GPBVUCOOYSPGET-UHFFFAOYSA-N	219.288	1.733	50	40	BDGB	
CC(C)(C)OC(=O)NCCOC(=O)CCl	238146601	NIFDKCPWOFDXKB-UHFFFAOYSA-N	237.683	1.293	50	40	BDGB	
C[C@H](OC(=O)CCl)[C@@H](C)OC(=O)CCl	1672451	GQLLNRQZPDXYSF-OLQVQODUSA-N	243.086	1.327	50	40	BDGB	
CC(=O)c1ccc[n+](CCBr)c1	1696612	VHSHNZUNZPWOFF-UHFFFAOYSA-N	229.097	1.572	50	40	BDGB	
CO/C(N)=C(C#N)/N=C\c1ccccc1	104313796	IWTPAHMQALWGHK-CVWDRDARSA-N	201.229	1.403	50	40	BDGB	
CCN(CC1CCN(C)CC1)C(=O)CCl	79406579	VZUSRLSWOFCXCE-UHFFFAOYSA-N	232.755	1.416	50	40	BDGB	
O=C(Cl)c1cc2ncc(Cl)cn2n1	13535972	IHBZSBMUGPMHFG-UHFFFAOYSA-N	216.027	1.762	50	40	BDGB	
C/C(=N\NC(=O)c1cccnc1)c1ccco1	4855007	OJQKAGYTOAOMQT-NTEUORMPSA-N	229.239	1.829	50	40	BDGB	
C[C@@H](c1cnccn1)N(C)C(=O)CCl	79435560	KWJZYGUOLSGTBN-ZETCQYMHSA-N	213.668	1.235	50	40	BDGB	
Cc1cccn1Cc1ccccc1C(=O)NN	226032405	XPWQFNXGEUIBQO-UHFFFAOYSA-N	229.283	1.448	50	40	BDGB	
NCCOC[C@@H](Br)C(F)(F)F	1083811690	DULOQOUZVKAGFA-SCSAIBSYSA-N	236.031	1.288	50	40	BDGB	
CC(C)[C@@H](C)CC(=O)NNC(=O)C1CC1	67899877	KXHBXTMZDMMPCF-QMMMGPOBSA-N	212.293	1.226	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc(C)cc1O	5542504	OGDCPIQUOLOBKI-KPKJPENVSA-N	207.233	1.093	50	40	BDGB	
NC(=O)N/N=C/c1c(Cl)nc2sccn12	7894843	RQOSZFHSWGKKSV-XCVCLJGOSA-N	243.679	1.051	50	40	BDGB	
COc1cc(NC(=O)[C@H](C)Cl)nc(OC)n1	369929	FBDBDGUEPOYHPO-YFKPBYRVSA-N	245.666	1.060	50	40	BDGB	
CC1CCN(P(=O)(N(C)C)N(C)C)CC1	104201874	SAPPGCIKDWQTOY-UHFFFAOYSA-N	233.296	1.950	50	40	BDGB	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Cl	38478344	HZZLMAFZSKHYPB-IMTBSYHQSA-N	212.632	1.980	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1668456	CIWVKNCZQCVDAY-YRNVUSSQSA-N	237.215	1.675	50	40	BDGB	
CC1=C(C#N)C(=O)O[C@]1(C)[C@@H]1CCCC(=O)C1	1609374	DLLWHTLDYNASMT-RNCFNFMXSA-N	233.267	1.901	50	40	BDGB	
CC[C@@](C)(C(=O)NN)N1C[C@H](C)C[C@@H](C)C1	22123767	JNHOQSQNKYKMOU-FOGDFJRCSA-N	227.352	1.123	50	40	BDGB	
N#CCOc1ccc(/C=C(/C#N)C(N)=S)cc1	408544697	WTAMJBHILVINQA-YFHOEESVSA-N	243.291	1.782	50	40	BDGB	
NC(=O)N/N=C\c1c(Cl)cccc1Cl	4963902	UGYGQHWYUOUTJE-QCDXTXTGSA-N	232.070	1.996	50	40	BDGB	
CCOC(=O)[C@@]1(CC)CCC/C1=N\NC(N)=O	5468394	BBBPVGLXKUFFTB-ZWSXMNCCSA-N	241.291	1.154	50	40	BDGB	
C[C@H](Br)C(=O)Nc1ccnn1C	160077	BMSHIAGZLYWTTM-YFKPBYRVSA-N	232.081	1.142	50	40	BDGB	
C#Cc1cccc(NC(=O)NC(=O)CCl)c1	36905713	IEQBTWUFOXXOAV-UHFFFAOYSA-N	236.658	1.555	50	40	BDGB	in-vitro
O=C1[C@H](Br)CCN1c1ccccn1	34561811	JPCKIIKLHQPWFV-SSDOTTSWSA-N	241.088	1.582	50	40	BDGB	
O=C1OC(=O)[C@]2(Br)[C@@H]3C=C[C@@H](C3)[C@@H]12	104105501	CLTOWDKISUFHLB-LHKPINMVSA-N	243.056	1.026	50	40	BDGB	
O=C(NCCCl)OCC(F)(F)F	1576600	ANATVRZRQDTQDO-UHFFFAOYSA-N	205.563	1.514	50	40	BDGB	in-vitro
O=C/C(=C/O)c1cc(C(=O)O)ccc1[N+](=O)[O-]	19074559	KCVPQUFRMLPEHX-DAXSKMNVSA-N	237.167	1.391	50	40	BDGB	
Cc1oc(-c2ccccc2)cc1C(=O)NN	60910	YPVAQWOGKIUONB-UHFFFAOYSA-N	216.240	1.859	50	40	BDGB	
O=C(CBr)c1cc(O)cc(O)c1	2507126	WUXKAYZEXYAYIT-UHFFFAOYSA-N	231.045	1.675	50	40	BDGB	in-vitro
CC(C)c1ccc(/C=N/NC(=O)CO)cc1	59515342	LQBMTDGCXMTYKH-NTUHNPAUSA-N	220.272	1.252	50	40	BDGB	
N#CC1=C(N)n2ncnc2N[C@@H]1c1ccccc1	18199173	XGOXBJKDUOBVLU-SNVBAGLBSA-N	238.254	1.096	50	40	BDGB	
O=C(NCCBr)c1ccccn1	36721271	SMFVCKFWLXDJNS-UHFFFAOYSA-N	229.077	1.206	50	40	BDGB	in-vitro
CCCCN(/C=C/C#N)[C@H]1CCS(=O)(=O)C1	5614878	YOIWZAPLOVPEBJ-VUQUXZKVSA-N	242.344	1.313	50	40	BDGB	
CCOC(=O)N/N=C/c1ccccc1C(=O)O	1712955	CUAWTOHRLMRQGR-KPKJPENVSA-N	236.227	1.465	50	40	BDGB	
CC(=N/O)/C(C)=N\NC(=O)c1ccccn1	4459083	VNRYUSQMRVJBRN-FFNMSDODSA-N	220.232	1.037	50	40	BDGB	
COc1ccc(C[C@H]2CC(=O)OC2=O)cc1	104335058	FRSALURJHLOYCY-VIFPVBQESA-N	220.224	1.327	50	40	BDGB	
O=C1ON=C(CCl)/C1=C\c1ccco1	34926720	VYJBJWAFWOFHSB-QPJJXVBHSA-N	211.604	1.815	50	40	BDGB	
O=C(CCl)NC(=S)c1ccccc1	71873611	SPCAGMQWBZZQAY-UHFFFAOYSA-N	213.689	1.717	50	40	BDGB	
CCOc1cccc(/C=C(\C#N)C(N)=O)c1	33433400	MIDDHWJPIAYBNJ-UXBLZVDNSA-N	216.240	1.478	50	40	BDGB	
Cc1[nH]c2ccccc2c1/C=N/NC(N)=O	268477	MXGPCHKTVICNMZ-AWNIVKPZSA-N	216.244	1.479	50	40	BDGB	
CCc1cc(Cl)c(OC)c(C(=O)NN)c1	57339243	GWGRLKAEPPCTCL-UHFFFAOYSA-N	228.679	1.515	50	40	BDGB	
COC(=O)N/N=C/c1c(F)cccc1F	3239133	JNOMYWLNRRPXFK-LFYBBSHMSA-N	214.171	1.655	50	40	BDGB	
CCOC(=O)CC(=CC#N)CC(=O)OCC	38192294	NLFIAGDIQJRCIQ-UHFFFAOYSA-N	225.244	1.343	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1	4499209	VTPSQKRYJMAJDL-XQRVVYSFSA-N	222.156	1.268	50	40	BDGB	
CC1=C(C#N)O[C@H](N2CCCC2=O)C[C@H]1C	4267423	KPYAHKORMFXMTB-PELKAZGASA-N	220.272	1.789	50	40	BDGB	biogenic
BrCc1cccc(B2OCCO2)c1	216380953	OWTGYWNDQVLJES-UHFFFAOYSA-N	240.893	1.324	50	40	BDGB	
CC1(C)[C@@]2(C)CC[C@]1(C(=O)Cl)C(=O)C2=O	72242848	GCTJEIHNDXCZIY-WDEREUQCSA-N	228.675	1.716	50	40	BDGB	
N#CC(C#N)=C(Nn1cnnc1)c1ccccc1	5681049	IRBGJAPLVIOVGC-UHFFFAOYSA-N	236.238	1.280	50	40	BDGB	
Cc1ccc(C)n1-c1sccc1C(=O)NN	116085	NTFOFHIUODRCAT-UHFFFAOYSA-N	235.312	1.759	50	40	BDGB	
CCOC(=O)[C@@H](CCSC)N=C=O	1604991	IWXRXGRHXXLVHJ-SSDOTTSWSA-N	203.263	1.007	50	40	BDGB	
CCC(=O)/C(C#N)=C1/NC(=O)c2ccccc2N1	103603034	RFQNXQNELQDWQH-FMIVXFBMSA-N	241.250	1.556	50	40	BDGB	
CC(C)=NNC(=O)C(=O)Nc1cc(C)ccc1C	59516022	SZRLADBOSQOPIE-UHFFFAOYSA-N	247.298	1.754	50	40	BDGB	
COc1ccc([C@@H]2NC[C@H](CCl)O2)cc1	20248315	YUXWKIZJLDPWOG-WDEREUQCSA-N	227.691	1.921	50	40	BDGB	
O=[N+]([O-])c1ccc(NCCCl)c2nonc12	96336946	CKLYNQTXGNOCSK-UHFFFAOYSA-N	242.622	1.782	50	40	BDGB	
O=C(CCCl)c1ccc2[nH]c(=O)[nH]c2c1	85347520	MDQSYLNENZQDGO-UHFFFAOYSA-N	224.647	1.668	50	40	BDGB	
O=C(O)[C@@H](Cl)Cc1ccc([N+](=O)[O-])cc1	36204951	WORDELZJERSFDP-QMMMGPOBSA-N	229.619	1.829	50	40	BDGB	
N#CC1=C(N)CN(c2ccccc2F)C1	96526617	LIXVIWMDGCJLBC-UHFFFAOYSA-N	203.220	1.382	50	40	BDGB	
COC(=O)N/N=C/c1ccc(Br)o1	178230	AHFLBRANEMXMHS-RUDMXATFSA-N	247.048	1.732	50	40	BDGB	
C=CCOc1cccc(/C=C(/C#N)C(N)=O)c1	211992770	PLQZKTFRHYJUHD-XFFZJAGNSA-N	228.251	1.644	50	40	BDGB	
O=C(O)c1ccc(/C=N/NC(=O)C2CC2)cc1	3475102	BIVAFFFFNVKRRC-NTUHNPAUSA-N	232.239	1.245	50	40	BDGB	
COC(=O)N/N=C1\C(O)=Nc2c(C)cc(C)cc21	6903310	WPETWJDPGFYEHH-UHFFFAOYSA-N	247.254	1.965	50	40	BDGB	
CCCC[S@@](=O)(=[25O])CCCCl	100081212	PWOOIWDIWHABSY-FARPSFMFSA-N	207.745	1.830	50	40	BDGB	
O=C1[C@H](Br)CCN1c1nccs1	67802408	YEWIQJOBMDNPAT-RXMQYKEDSA-N	247.117	1.643	50	40	BDGB	
CN(C(=O)CCl)c1c2c(nn1C)CCCC2	153259	GRSCHHGBJFRUGE-UHFFFAOYSA-N	241.722	1.501	50	40	BDGB	
CC1(C)COC(=O)C(C#N)=C1CBr	1584726	GXPCCPGQNNYDBU-UHFFFAOYSA-N	244.088	1.784	50	40	BDGB	
CC1=C(C#N)C(=O)O[C@@]1(C)[C@@H]1CCCC(=O)C1	1609375	DLLWHTLDYNASMT-NOZJJQNGSA-N	233.267	1.901	50	40	BDGB	
C[C@H](Cl)C(=O)c1ccccc1C(=O)C(N)=O	2271646	DLRQDPRVEOFDHT-LURJTMIESA-N	239.658	1.165	50	40	BDGB	
CCOC(=O)c1csc(NC(=O)CCl)n1	163444	YVMHCXJKIVZFTE-UHFFFAOYSA-N	248.691	1.497	50	40	BDGB	
CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)NN	5156279	PPCFHJICCBNMPT-WOPDTQHZSA-N	240.347	1.500	50	40	BDGB	
CC(=O)[C@H](Cc1ccccc1)NC(=O)CCl	3887844	ZWSFVDCOYNLKDQ-NSHDSACASA-N	239.702	1.542	50	40	BDGB	
CCNC(=O)NNC(=S)Nc1ccccc1	64937099	UTYKZIITVFMLPT-UHFFFAOYSA-N	238.316	1.207	50	40	BDGB	
C[C@H](c1ccccn1)N(C)C(=O)CCl	79421765	ONQPGWHXXRKVNN-MRVPVSSYSA-N	212.680	1.840	50	40	BDGB	
O=C(Nc1ccccc1)[C@@H](Cl)[N+](=O)[O-]	100467690	ZCSLYILIAWVOPT-ZETCQYMHSA-N	214.608	1.467	50	40	BDGB	
C[C@H]1C/C(=N\NC(N)=O)[C@@H]2C[C@@H]1C2(C)C	100708874	USMSEBRNTOAJAR-IJQCVZFWSA-N	209.293	1.713	50	40	BDGB	
NNC(=O)[C@@H]1CCCN(CC2CCCCC2)C1	14628678	KNJUMRGGNBYWIU-GFCCVEGCSA-N	239.363	1.269	50	40	BDGB	
O=C(CBr)[C@H]1CCCOC1	87224440	UTAFXIDNWNMWQF-LURJTMIESA-N	207.067	1.377	50	40	BDGB	
NNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	91695938	VXKMHWFQNXKKGE-UHFFFAOYSA-N	249.148	1.217	50	40	BDGB	
C/C(=N/NC(N)=O)[C@H]1CC2CCC1CC2	5046462	SMFGICBZVLOMMN-FUDFKCTISA-N	209.293	1.857	50	40	BDGB	
N#C[C@@H](C(=O)CCl)c1nc2ccccc2[nH]1	507299	ANPUKQWTWOKPNF-ZETCQYMHSA-N	233.658	1.978	50	40	BDGB	
CCCCC[C@H]1C[C@H](O)C=C(C)[C@H]1C(=O)NN	102750534	PPCFHJICCBNMPT-QJPTWQEYSA-N	240.347	1.500	50	40	BDGB	
O=P(O)(O)c1ccccc1OCCCl	2312024	MLWMFHXKCCFIHF-UHFFFAOYSA-N	236.591	1.107	50	40	BDGB	biogenic
O=C(Cl)c1ccc(-n2cnnc2)cc1	39057315	QNXFKEVHKRIXOI-UHFFFAOYSA-N	207.620	1.646	50	40	BDGB	
COc1cccc(-n2cccc2C(=O)NN)c1	223735775	BDRJGGKAXNJGRJ-UHFFFAOYSA-N	231.255	1.089	50	40	BDGB	
CCOc1ccccc1/C=N/NC(=O)O	4705974	JTLXDXCWVADHAD-YRNVUSSQSA-N	208.217	1.687	50	40	BDGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccco1	4646345	YKSLVXUPCZDIFI-NODHTMHHSA-N	216.240	1.961	50	40	BDGB	
BrC[C@H]1CC(c2cccnc2)=NO1	217840978	JHRODSIZZSVHEG-MRVPVSSYSA-N	241.088	1.970	50	40	BDGB	
COc1cccc(S(=O)(=O)CCCl)c1	36883206	POGBMFRSIQMQMP-UHFFFAOYSA-N	234.704	1.708	50	40	BDGB	
CC(=O)Nc1cccc(C2=CC(=O)OC2=O)c1	100023325	SQOCMJJVTAGQAC-UHFFFAOYSA-N	231.207	1.112	50	40	BDGB	
Cc1n[nH]c(/C(C#N)=C\c2ccc([N+](=O)[O-])o2)n1	8782890	MQQTWTDDLQMCBL-DAXSKMNVSA-N	245.198	1.679	50	40	BDGB	
CC(C)CC(=O)NN=C1CCN(C)CC1	55072170	TUJLCWJMJAHMQF-UHFFFAOYSA-N	211.309	1.230	50	40	BDGB	
NNC(=O)CCNc1cccc(Cl)c1	58845824	KMQOMNLTBMNFNJ-UHFFFAOYSA-N	213.668	1.132	50	40	BDGB	
C=C1CC(C(=O)N/N=C/c2ccco2)C1	408718124	KVLWXCMSCBOKLG-KPKJPENVSA-N	204.229	1.696	50	40	BDGB	
CN(c1ccccc1)P(=O)(N1CC1)N1CC1	72135108	OGUUXPIFNODROY-UHFFFAOYSA-N	237.243	1.862	50	40	BDGB	
C=CCn1c(Cc2ccco2)ccc1C(=O)NN	226031652	MLZRHYPXIFBVBI-UHFFFAOYSA-N	245.282	1.461	50	40	BDGB	
CCCCc1cc(=O)[nH]c(CCl)n1	96525761	FOPIDARKOJUIBS-UHFFFAOYSA-N	200.669	1.851	50	40	BDGB	
NNC(=O)CCC(=O)Nc1ccccc1Cl	2578229	PMGKUXDEHKVRND-UHFFFAOYSA-N	241.678	1.049	50	40	BDGB	
Nc1ccccc1C(=O)N/N=C/c1ccco1	1020984	JDEMYFVJWCCFSD-RIYZIHGNSA-N	229.239	1.626	50	40	BDGB	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(N)=O	209240822	WMYCZMVZNOGVPS-XVNBXDOJSA-N	222.631	1.438	50	40	BDGB	
O=C(N/N=C/c1ccccn1)c1ccccn1	61905	GMGRADYVFCNBHM-OQLLNIDSSA-N	226.239	1.241	50	40	BDGB	
C[C@H]1CO[C@H]([C@@H]2C[C@@H]3C[C@@H]2[C@H](O)[C@@H]3Cl)O1	100927062	ALRFFJGNNDCJFL-QSJIWTKBSA-N	232.707	1.372	50	40	BDGB	
Cc1cc(C(=O)NNC(=O)C2CCC2)c(C)o1	8346448	WTDRGWIVEJKDAS-UHFFFAOYSA-N	236.271	1.458	50	40	BDGB	
O=C(CCl)N1C(=O)c2ccccc2C1=O	5934690	MHOLXDZIPDVQRT-UHFFFAOYSA-N	223.615	1.048	50	40	BDGB	
CS(=O)(=O)SCCCCCC(=O)O	65743416	FELVFSYUZJCULW-UHFFFAOYSA-N	226.319	1.324	50	40	BDGB	in-vitro
CN(C[C@H]1CCN(C(=O)CCl)C1)C1CC1	79419205	BMCQGISLFDBTFR-SECBINFHSA-N	230.739	1.168	50	40	BDGB	
C[C@@H]1Cc2cc(CNC(=O)CCl)ccc2O1	96295202	PCYDXVKHGZLPOK-MRVPVSSYSA-N	239.702	1.865	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1cccc(F)c1	43314	QBBPVISWLJPIHY-OQLLNIDSSA-N	245.257	1.928	50	40	BDGB	
CN(C)c1ccc(/C=N/NC(=O)CC#N)cc1	143678	RWGFQNBYOYUCIU-NTEUORMPSA-N	230.271	1.116	50	40	BDGB	
O=C(NNC(=O)c1ccccc1F)c1ccco1	199682	AJYJULRQVNTSIL-UHFFFAOYSA-N	248.213	1.494	50	40	BDGB	
COC(=O)N/N=C/c1c(C)cc(O)cc1O	507094	BEBMPOULWKCVGC-VZUCSPMQSA-N	224.216	1.096	50	40	BDGB	
C/C=C/C=N/NC(=O)[C@@H](O)c1ccccc1	3900013	ZDDJBQROXSWLJB-IKNAYRKDSA-N	218.256	1.398	50	40	BDGB	
O=C1C[C@H](/C=C\c2ccccc2)C(=O)O1	60272699	CRVRPMGEUVHZCJ-GFVADAIESA-N	202.209	1.790	50	40	BDGB	
COc1cc(Cl)cc(/C=C(\C#N)C(N)=O)c1	408871308	YPRVQGNCMLRDAL-KRXBUXKQSA-N	236.658	1.741	50	40	BDGB	
CCOC(=O)c1cc(CBr)on1	39401342	WGYWHPXMHCTBIS-UHFFFAOYSA-N	234.049	1.746	50	40	BDGB	
CCOC(=O)C(C)(C)CBr	113741216	OKSCUZSVZULTMP-UHFFFAOYSA-N	209.083	1.971	50	40	BDGB	in-vitro
CC[C@@](C)(C(=O)NN)N1CCCC[C@H]1C	260575742	VKQWNKWYYQMFSC-KOLCDFICSA-N	213.325	1.019	50	40	BDGB	
OC[C@@H](I)C(F)(F)F	1772820732	WUJMRXQNKCDSGE-UWTATZPHSA-N	239.962	1.345	50	40	BDGB	
Cc1nc(C(F)(F)F)c(C(=O)NN)s1	1503363	DMCVAGWEKQDCEG-UHFFFAOYSA-N	225.195	1.074	50	40	BDGB	
Cc1ccc(F)c(-n2nnnc2CCl)c1	36722408	JUAMQYVFLLKBCM-UHFFFAOYSA-N	226.642	1.849	50	40	BDGB	in-vitro
COc1cc([N+](=O)[O-])ccc1C(=O)Cl	33506502	DJDAPLBWGIXUAG-UHFFFAOYSA-N	215.592	1.982	50	40	BDGB	
CCOC(=O)/C=C1\CCCN1C(=O)CCl	39398263	OVRDSWKZRDCAOS-SOFGYWHQSA-N	231.679	1.295	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1	213702451	YNRGMMPFNORMBQ-YVMONPNESA-N	249.226	1.619	50	40	BDGB	
COC(=O)c1coc(CCBr)n1	44563721	IMUPVOSBZLCUCX-UHFFFAOYSA-N	234.049	1.399	50	40	BDGB	
CC1=C(Cl)[C@H](Br)OC1=O	256050017	CIBNTRNPASUIPG-SCSAIBSYSA-N	211.442	1.777	50	40	BDGB	
NNC(=O)/N=C/c1ccc(Cl)c(Cl)c1	13402728	GIVIBQWXWMJNBC-UUILKARUSA-N	232.070	1.996	50	40	BDGB	
CC(/C=C\c1ccccc1)=N/NC(N)=O	17109939	XEAXZEMHSLDEEG-VBKTUFRMSA-N	203.245	1.744	50	40	BDGB	
N#C/C(=C\Nc1ccccc1)c1nnn[nH]1	100684035	SOXCTISAYHQOEE-BQYQJAHWSA-N	212.216	1.176	50	40	BDGB	
CCCCN1C[C@@H](C(=O)Cl)CC1=O	33433013	VFQYIPCLYMGLAY-ZETCQYMHSA-N	203.669	1.400	50	40	BDGB	
COC(=O)C1CC(CBr)C1	98090025	UWGANZNOSVEEIE-UHFFFAOYSA-N	207.067	1.581	50	40	BDGB	in-vitro
C[C@@]1(C(=O)Cl)Oc2ccccc2NC1=O	215666082	HXXBJYSMBVZLSY-JTQLQIEISA-N	225.631	1.542	50	40	BDGB	
CCC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1599073	KGLNAPITCOBCCV-UHFFFAOYSA-N	240.171	1.818	50	40	BDGB	in-vitro
CCn1c(C)c(C(=O)NN)c2cc(O)ccc21	1410332	QYYUYBDEYIPNNF-UHFFFAOYSA-N	233.271	1.279	50	40	BDGB	
S=C=NC[C@H]1COc2ccccc2O1	26422591	DOPVFRWYYKZSOZ-QMMMGPOBSA-N	207.254	1.929	50	40	BDGB	
C/C(=N/NC(N)=O)c1ccc2c(c1)OCCCO2	38367208	IWFFOOWCULOTMY-ZSOIEALJSA-N	249.270	1.240	50	40	BDGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(C)C)c1	35653712	DKMPDHKSNBKFOR-NSHDSACASA-N	236.315	1.792	50	40	BDGB	
CCS(=O)(=O)[C@H](Cl)C(=O)C(C)(C)C	96517819	SZZNTDHGJTZAAN-ZETCQYMHSA-N	226.725	1.601	50	40	BDGB	
C[C@@H](NC(=O)NCCCl)c1ccco1	1623699	GVNVIVMTQBZAKT-SSDOTTSWSA-N	216.668	1.879	50	40	BDGB	
C[C@H]1CC[C@@H](C)N1P(=O)(N1CC1)N1CC1	100254717	FFYJIUCYVAVIKE-AOOOYVTPSA-N	229.264	1.599	50	40	BDGB	
C[C@@H]1CN1P(=O)(N1CCCC1)N1C[C@H]1C	301054471	RWWTZZHUOSWAPK-JDTMCGPASA-N	229.264	1.599	50	40	BDGB	
NNC(=O)c1cccc(Cn2cccc2)c1	226032200	XPHZWJOPOKARIP-UHFFFAOYSA-N	215.256	1.140	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccc([N+](=O)[O-])cc1	3897516	HQCJCNBKNSYZDQ-MDWZMJQESA-N	246.226	1.349	50	40	BDGB	
O=c1c(CCCl)cnc2ccccn12	332188	QCYFMWQTOLAYBC-UHFFFAOYSA-N	208.648	1.476	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1ccc(C)cc1	6840260	ADAIHGQCGGBLIL-UKTHLTGXSA-N	244.294	1.665	50	40	BDGB	
CC1=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12	104281461	SHNKPHYZJIVILY-HGQQYVGVSA-N	216.236	1.310	50	40	BDGB	
O=C(/C=C/c1ccccc1)NNC(=O)C1CC1	3244089	DGQXYIVRJSXMFF-RMKNXTFCSA-N	230.267	1.257	50	40	BDGB	
Cc1noc(C)c1CNC(=O)CCl	57218757	ZRUXRCFTNFGGKB-UHFFFAOYSA-N	202.641	1.146	50	40	BDGB	in-vitro
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Cl	38478346	HZZLMAFZSKHYPB-RCOVLWMOSA-N	212.632	1.980	50	40	BDGB	
CCCn1c(CCl)cnc1S(C)(=O)=O	47219287	WQZFWSIIRZXACS-UHFFFAOYSA-N	236.724	1.435	50	40	BDGB	
COC(=O)c1cc(OC)cc(CCl)n1	95763842	VLVPGWBNJXGLBZ-UHFFFAOYSA-N	215.636	1.616	50	40	BDGB	
NNC(=O)c1c(Cl)cccc1Cl	19277691	RZTXCLYVFUMCQM-UHFFFAOYSA-N	205.044	1.597	50	40	BDGB	in-vitro
C[C@@H](Cl)C(=O)N1CC(=O)Nc2ccccc21	8231186	WAXPDZKONOCMDU-SSDOTTSWSA-N	238.674	1.599	50	40	BDGB	
CC(=O)N(C)c1nc(CCl)cs1	38342153	FEYMIIHIBDJLDX-UHFFFAOYSA-N	204.682	1.865	50	40	BDGB	in-vitro
O=C1[C@H](Br)CCN1CC(F)(F)F	39042748	ULBYKRDEJLEBER-SCSAIBSYSA-N	246.026	1.545	50	40	BDGB	
NNC(=O)C1c2ccccc2-c2ccccc21	137709351	QTUDOGMWPNUCEQ-UHFFFAOYSA-N	224.263	1.789	50	40	BDGB	
O=c1oc(CCl)c(CBr)o1	261507485	JAVVAOOIPAZDFR-UHFFFAOYSA-N	227.441	1.867	50	40	BDGB	in-vitro
O=C(Nc1cccn2ncnc12)C(Cl)Cl	1387956	PPLNXHKWUXNGQY-UHFFFAOYSA-N	245.069	1.472	50	40	BDGB	
C[C@@H](Cl)C(=O)NCc1cnn2ccccc12	77193727	ABBKEOIMPFJVKX-MRVPVSSYSA-N	237.690	1.578	50	40	BDGB	
Cc1noc(C)c1CN(C)C(=O)CCl	37832938	ZLNUKHJCULCNLE-UHFFFAOYSA-N	216.668	1.489	50	40	BDGB	
COc1ccccc1CNC(=O)[C@@H](C)Cl	8155961	PZVWRBCZGOBMCY-MRVPVSSYSA-N	227.691	1.939	50	40	BDGB	in-vitro
CNC(=O)/C(C#N)=C\c1ccc(C)cc1	40889092	MDMNCHXNLDFQJS-XFFZJAGNSA-N	200.241	1.648	50	40	BDGB	
N#C/C(=C\c1ccc[nH]1)C(=O)NC[C@H]1CCCO1	137294	UXZVIKQMTXXROW-OFFHKIPUSA-N	245.282	1.217	50	40	BDGB	
C=CCOC[C@H](CCl)OC[C@H]1CO1	5377404	GMSLBWASKZPQBY-IUCAKERBSA-N	206.669	1.212	50	40	BDGB	
O=C(CCl)Oc1cccc([N+](=O)[O-])c1	1655666	FCBCGSWCYFFYFD-UHFFFAOYSA-N	215.592	1.739	50	40	BDGB	
O=C(CCl)NC[C@@H]1OCCc2ccccc21	4525680	LRCKFQHZVKQSEV-NSHDSACASA-N	239.702	1.655	50	40	BDGB	
CCCC(=O)NNC(=O)Cc1ccccc1C	14562538	DEJVHFMJJXTRKW-UHFFFAOYSA-N	234.299	1.485	50	40	BDGB	
O=C1COCCN1c1ccc(CCl)c(F)c1	199775987	IEVYMMOLQKUJJR-UHFFFAOYSA-N	243.665	1.928	50	40	BDGB	
CC(C)Oc1ccc(/C=N/NC(=O)CC#N)cc1	1027805	DWDZXQCGRSKRRU-OQLLNIDSSA-N	245.282	1.838	50	40	BDGB	
Cc1sc(-c2ccccc2)nc1CC(=O)NN	83091	ZTRZCZGJROPELE-UHFFFAOYSA-N	247.323	1.651	50	40	BDGB	
Cc1nc2cc(NC(=O)NN(C)C)ccc2o1	409125320	NCLLFJLXQLKVCR-UHFFFAOYSA-N	234.259	1.734	50	40	BDGB	
C[C@H](Br)[C@H](Br)CO	2022021	RZUXIYDMQGCCDD-IUYQGCFVSA-N	231.915	1.526	50	40	BDGB	
O=C1C(Cl)=C(Cl)C2(OCCO2)[C@@H]1Cl	92659	GZCBOFSKFCOGTM-ZCFIWIBFSA-N	243.473	1.609	50	40	BDGB	biogenic
CC1=C(C#N)C(=O)C(C#N)(C#N)C(C)(C)C1	4948077	FGGQIJFRROLAFQ-UHFFFAOYSA-N	213.240	1.859	50	40	BDGB	
CN1[C@@H]2CC[C@@H]1[C@H](Br)C(=O)C2	100272085	VHNXFKTYNFJDKY-JKMUOGBPSA-N	218.094	1.186	50	40	BDGB	
CC(C)(C)C(=O)NNC(=O)Nc1nccs1	72015998	QOLTYNXCZMUDIZ-UHFFFAOYSA-N	242.304	1.342	50	40	BDGB	
COC(=O)NNC(=O)C1CCC(C)CC1	246905	NLILOEDYDSGCDH-UHFFFAOYSA-N	214.265	1.200	50	40	BDGB	
C[C@@]12C=C[C@@](C)(O1)[C@H](Cl)C(=O)[C@H]2Cl	103218718	PXHBVEGSUFMYSU-BGZDPUMWSA-N	221.083	1.888	50	40	BDGB	
CCCNC(=O)NNc1ccc(F)cc1	43468138	BSDJBPFBPSGYEV-UHFFFAOYSA-N	211.240	1.862	50	40	BDGB	
C[C@@H](Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1O	71671021	YINKPSXELJXPLH-RXMQYKEDSA-N	244.634	1.866	50	40	BDGB	
COc1ccccc1/C=C(/C#N)C(=O)O	12433116	MLSFNPJOOCGHKT-TWGQIWQCSA-N	203.197	1.687	50	40	BDGB	
CCOC(=O)C(C#N)=C1Nc2ccccc2N1	6693691	OJHHAVAZDFWVQD-UHFFFAOYSA-N	229.239	1.822	50	40	BDGB	
O=C(CCl)NCCC(=O)Nc1ccccc1	8732997	HYMNOQUKSUVKLM-UHFFFAOYSA-N	240.690	1.370	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4[C@H]5C=C[C@@H](C5)[C@H]43)[C@@H]12	104063051	CKKGPNARILRMPQ-FAPMSFOXSA-N	230.263	1.390	50	40	BDGB	
CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)cc1	18095412	AVTQTVFOHNBPAQ-BXKDBHETSA-N	246.310	1.666	50	40	BDGB	
N#CCCN(Cc1ccco1)C(=O)CCl	7784453	UYINBPMTJWYDBK-UHFFFAOYSA-N	226.663	1.761	50	40	BDGB	in-vitro
COC(=O)c1ccncc1CBr	71255413	LOOCRFUNMHYTIC-UHFFFAOYSA-N	230.061	1.763	50	40	BDGB	
O=C(CBr)c1ncccn1	39055294	WMHOYHBWJCJLLR-UHFFFAOYSA-N	201.023	1.054	50	40	BDGB	
CCOC(=O)[C@@H]1CC[C@@H](Br)C1=O	95919667	KDQZTFCNIZYCQV-PHDIDXHHSA-N	235.077	1.292	50	40	BDGB	
CSC(=O)N[C@@H](C)CBr	5515570	OKYBXDDKKSULDP-BYPYZUCNSA-N	212.112	1.842	50	40	BDGB	
CCS(=O)(=O)C[C@H](Cl)CCl	100241624	CHCCCHNLFIHJKU-RXMQYKEDSA-N	205.106	1.267	50	40	BDGB	
NNC(=O)/C=C/c1cccc(Br)c1	37387924	BIAPCCDPIIHOFU-SNAWJCMRSA-N	241.088	1.452	50	40	BDGB	
CNC(=O)[C@@H](Br)C(C)(C)C	163887	GMQFDBJCQPEPSR-RXMQYKEDSA-N	208.099	1.542	50	40	BDGB	
NC[C@H](Br)CCCBr	1699078	HXZHWGZUFLKUEZ-RXMQYKEDSA-N	244.958	1.884	50	40	BDGB	
C[C@H]1[C@H](c2ccccc2)NC[C@@H](C)[C@@]1(O)C#N	100287154	WYWIMOATJMGNNL-WVWOOGAGSA-N	230.311	1.858	50	40	BDGB	
Cc1ccccc1-n1cc(C(=O)NN)c(C)n1	226258266	MHBGCPOZJCQWNQ-UHFFFAOYSA-N	230.271	1.093	50	40	BDGB	
CCO/C=N\NC(=O)c1n[nH]c2ccccc12	5387095	YKTNLCDIHSAWPQ-GHXNOFRVSA-N	232.243	1.273	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	2769693	UCRXTXULXNUEHJ-DHZHZOJOSA-N	242.278	1.881	50	40	BDGB	
COc1ccc(/C=N/NC(=O)CC#N)c(C)c1	567445	FDKKIQDBJNDLKN-RIYZIHGNSA-N	231.255	1.367	50	40	BDGB	
CCC(=O)NNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2	102245961	VPLCFEDHFNEKQI-HLTSFMKQSA-N	241.360	1.080	50	40	BDGB	
CC1(CCI)OCCO1	34606902	SXVDTZCWOQEFBN-UHFFFAOYSA-N	242.056	1.575	50	40	BDGB	
CO[Si](C)(OC)OCNc1ccccc1	199520315	QGFMQZCGUPDJCN-UHFFFAOYSA-N	227.336	1.934	50	40	BDGB	
CCc1ccc(C(=O)NN)n1[C@@H](C)CC	226022125	NTRSXLUZUDYNKF-QMMMGPOBSA-N	209.293	1.625	50	40	BDGB	
C[C@H]1CCc2nn3c(CCl)nnc3cc2C1	96530176	VDKDICKBDYUJPK-ZETCQYMHSA-N	236.706	1.988	50	40	BDGB	
C[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21	96336906	JTJZLAJHHYGANA-LURJTMIESA-N	202.213	1.582	50	40	BDGB	
O=C(N/N=C/c1ccccn1)c1ccncc1	136912	WRHZTTISLCLBBE-OQLLNIDSSA-N	226.239	1.241	50	40	BDGB	
O=C(O)c1cc[n+](CCBr)cc1	4832787	ZJWIYVGCTMOLNH-UHFFFAOYSA-O	231.069	1.067	50	40	BDGB	
O=C1c2cn[nH]c2CC[C@@H]1Br	72403676	NSHNLXSNAJJINC-YFKPBYRVSA-N	215.050	1.302	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(C2CCCC2)C1	33433381	HFIGBCPDEZIGSR-SSDOTTSWSA-N	215.680	1.543	50	40	BDGB	
Cc1ccc([C@@H](O)CNC(=O)CCl)cc1	96096222	NQANEGVMTSERRD-JTQLQIEISA-N	227.691	1.383	50	40	BDGB	
CC1(C)OC[C@H](CCBr)O1	39619091	SCINDQADIBQHKD-LURJTMIESA-N	209.083	1.923	50	40	BDGB	in-vitro
COc1ccc(/C=C(/C#N)C(N)=S)cc1	42483	NSDYZWFBGUGNTC-TWGQIWQCSA-N	218.281	1.888	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(=O)O)cc1OC	163664	DMACYVMZKYRYSL-WEVVVXLNSA-N	233.223	1.695	50	40	BDGB	
O=C/C=C/c1cn(Cc2ccccc2)nn1	4206469	YEPPFGWFEMTAPG-QPJJXVBHSA-N	213.240	1.539	50	40	BDGB	
NNC(=O)c1cc(F)ccc1Br	19259513	UHHIUBDBCVUFLG-UHFFFAOYSA-N	233.040	1.192	50	40	BDGB	
CSCC(=O)NNC(=O)c1cc(C)oc1C	8346329	GORPYXHENCEQAE-UHFFFAOYSA-N	242.300	1.020	50	40	BDGB	
CCCOc1ccc(C(=O)NN)cc1Cl	113703800	XSURFJOJYNBELG-UHFFFAOYSA-N	228.679	1.732	50	40	BDGB	
CCOc1cc(C(=O)NN)cc(Cl)c1OC	216943562	JDOBWCVHBKNOIY-UHFFFAOYSA-N	244.678	1.351	50	40	BDGB	
O=C(OC(=O)[C@H](F)Cl)[C@@H](F)Cl	199502573	MAOTXBPNBZBSDM-XIXRPRMCSA-N	206.959	1.125	50	40	BDGB	
COc1cccc(OCCNC(=O)CCl)c1	41289460	GYSYXQDFTSYFIV-UHFFFAOYSA-N	243.690	1.429	50	40	BDGB	in-vitro
COc1ccc(/C=N/NC(C)=O)cc1[N+](=O)[O-]	313801	DXLXXQHTQPGTFF-IZZDOVSWSA-N	237.215	1.073	50	40	BDGB	
C#C[C@@](C)(CC)OC[C@@H](CCl)OC[C@@H]1CO1	2310400	JIESFYGQVNFHGZ-UTUOFQBUSA-N	246.734	1.828	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	6579867	XIMKUBZSZLYZQC-DHZHZOJOSA-N	248.257	1.495	50	40	BDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)c(C)o1	26991648	SNDNIAWUMHSLHW-IMTBSYHQSA-N	236.271	1.313	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccc(C)o1	5417580	POSAYEDZASMLMR-XYOKQWHBSA-N	206.245	1.838	50	40	BDGB	
C[C@H]1C=C(C#N)O[C@@H](N2CCCC2=O)C1	4267413	FNQIWCGDICPDOC-GZMMTYOYSA-N	206.245	1.399	50	40	BDGB	biogenic
COc1ccc(NC(=O)NN)cc1Cl	36948023	BEYMUZWVABHRPK-UHFFFAOYSA-N	215.640	1.344	50	40	BDGB	
NC(=O)N/N=C\c1ccc(Br)cc1	31439813	HSXITYGMCRTGJH-WZUFQYTHSA-N	242.076	1.451	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1cccc(F)c1	59333828	RDZNBSBJPPWXRY-POHAHGRESA-N	218.231	1.821	50	40	BDGB	
COCCCOc1cc[n+]([O-])c(CCl)c1C	35076487	FEEQDQKECPZTPQ-UHFFFAOYSA-N	245.706	1.783	50	40	BDGB	
CCOC(=O)[C@H]1CCCCN1C(=O)CCl	4219104	LVJSWQWZFDHDMV-MRVPVSSYSA-N	233.695	1.169	50	40	BDGB	in-vitro
C=CCNC(=O)NNc1cccc(Cl)n1	5725792	CVQKFUIWUWVYAN-UHFFFAOYSA-N	226.667	1.547	50	40	BDGB	
C=Cc1c(N)c(C(N)=C(C#N)C#N)c2ccccn12	257173834	YRTIXEBURYROPA-UHFFFAOYSA-N	249.277	1.881	50	40	BDGB	
NNC(=O)CNc1cccc(C(F)(F)F)c1	287784	BOGMWLKAYHXRGR-UHFFFAOYSA-N	233.193	1.107	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1ccc(Cl)cc1	568824	KOJMTMHMFWPRBE-UHFFFAOYSA-N	240.690	1.757	50	40	BDGB	
O=C1NC(=O)[C@@H](c2ccccc2)[C@@H]1Cl	100552015	BIWSBXBZNXQEDE-YUMQZZPRSA-N	209.632	1.034	50	40	BDGB	
O=C(CCl)c1ccc(O)c(O)c1O	5010822	UTPCCKXIPAMQDD-UHFFFAOYSA-N	202.593	1.225	50	40	BDGB	
O=C(CCl)N(C(=O)CCl)c1ccccn1	101518591	YXMHXVWMKBQXCM-UHFFFAOYSA-N	247.081	1.419	50	40	BDGB	
CSc1cc(Cl)c(B(O)O)c(Cl)c1	725343263	NHGAXEXVYJFLHG-UHFFFAOYSA-N	236.916	1.395	50	40	BDGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccncc1	5705276	RZILNFWTGIFZHJ-LUNDZONKSA-N	227.267	1.763	50	40	BDGB	
C[C@@]12C=C[C@@](C)(O1)[C@@H](Cl)C(=O)[C@@H]2Cl	103218723	PXHBVEGSUFMYSU-XSPKLOCKSA-N	221.083	1.888	50	40	BDGB	
CC(C)[C@H](Br)C(=O)N(C)C	19386157	POEPTKGZCYUKLO-LURJTMIESA-N	208.099	1.494	50	40	BDGB	in-vitro
O=C(CBr)NC1CCCC1	9879569	KVESMOYKDNWRSD-UHFFFAOYSA-N	206.083	1.440	50	40	BDGB	in-vitro
O=C(CBr)c1cnc(Cl)nc1	73738955	AHPLTAGTTHUTHB-UHFFFAOYSA-N	235.468	1.708	50	40	BDGB	
COc1c(O)c(/C=C/C(=O)NN)cc2ccoc12	1593798	PHEXJXQYHJMKPA-NSCUHMNNSA-N	248.238	1.150	50	40	BDGB	
C[C@@H](OC(=O)CCl)[C@@H](C)OC(=O)CCl	1672450	GQLLNRQZPDXYSF-PHDIDXHHSA-N	243.086	1.327	50	40	BDGB	
N#C/C(=C\c1cccc(O)c1)C(N)=S	107949438	DYQPGUOOKDYMDD-XBXARRHUSA-N	204.254	1.585	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccc(F)cc1	3231254	WKYACYFAJSKXRU-UHFFFAOYSA-N	247.273	1.837	50	40	BDGB	
O=C(CCl)NCCc1ccccc1F	7988998	XBNGNMADANFLKP-UHFFFAOYSA-N	215.655	1.723	50	40	BDGB	
CCN(CC)c1ccc(/C=N\NC(=O)NN)cc1	31667018	ZKKFLUYIRJIUOT-ZROIWOOFSA-N	249.318	1.040	50	40	BDGB	
CC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)CCl	79416999	MFDRIYREDBHJTD-UWVGGRQHSA-N	246.738	1.131	50	40	BDGB	
CCN(C(=O)CCl)c1ccc(O)cc1	199758690	AVLAXUIZIDTUFX-UHFFFAOYSA-N	213.664	1.984	50	40	BDGB	
O=C1c2cccnc2CN1CCBr	95098059	YNXUKEQYLSQZLB-UHFFFAOYSA-N	241.088	1.432	50	40	BDGB	
O=C(N/N=C/c1ccccc1)c1cc[n+]([O-])cc1	1464935	FBHBKJVDJMRDGV-GXDHUFHOSA-N	241.250	1.084	50	40	BDGB	
CCO/C(C)=N/NC(=O)c1n[nH]c2ccccc12	16038223	MYDWIAFLLFTNMV-MDWZMJQESA-N	246.270	1.663	50	40	BDGB	
N#CSCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	104328719	LTEHQEQTUALDQW-HTQZYQBOSA-N	222.269	1.109	50	40	BDGB	
CCC(CC)=NNC(=O)C(=O)NC1CCCC1	59434281	NVEXJQJZMRFLQY-UHFFFAOYSA-N	239.319	1.337	50	40	BDGB	
CC1(C)[C@@H]2CC[C@@]1(C(=O)Cl)C(=O)C2=O	100102152	VSGWZEXTHLODJA-FWOIEVBISA-N	214.648	1.326	50	40	BDGB	
Cc1ccc(NC(=O)C(=O)OCCCl)cc1	39315670	YDRDUAARRDZMQB-UHFFFAOYSA-N	241.674	1.716	50	40	BDGB	
COCC(=O)N/N=C(\C)c1ccc(Cl)cc1	4772898	HHQKMOWXILMYNK-MDWZMJQESA-N	240.690	1.827	50	40	BDGB	
CCNC(=O)NNC(=O)c1ccc(Cl)cc1	9155082	UZEZDSQZNDVULK-UHFFFAOYSA-N	241.678	1.304	50	40	BDGB	
CCCCNC(=O)[C@@H](C)Br	34195319	BETBSAMQQJPHJV-ZCFIWIBFSA-N	208.099	1.686	50	40	BDGB	
CN(Cc1nccnc1Cl)C(=O)CCl	79435525	MIYHFOKKTKUXPX-UHFFFAOYSA-N	234.086	1.327	50	40	BDGB	
C[C@@H](Cl)C(=O)c1ccc2c(c1)NC(=O)CO2	6658969	PNVHGKHTYWDTJD-ZCFIWIBFSA-N	239.658	1.828	50	40	BDGB	
Fc1ccc(-n2nnnc2CCl)cc1F	11920046	DXQIOGZINBZREL-UHFFFAOYSA-N	230.605	1.679	50	40	BDGB	
CCCOCCI	34331811	DSCSVCWUUUKJDV-UHFFFAOYSA-N	214.046	1.848	50	40	BDGB	
CCOC(=O)/C(C#N)=C(/O)CCCC(=O)O	104195004	SVBCDQVTCQAGAQ-BQYQJAHWSA-N	227.216	1.140	50	40	BDGB	
CCOC(=O)/C=C\N(CCCl)CCCl	104391709	ZLLSGXUNKVEPDI-UTCJRWHESA-N	240.130	1.843	50	40	BDGB	
CCN(CC)CC(=O)NN(C)c1ccccc1	2075318	TVBPHBGIGWDTQN-UHFFFAOYSA-N	235.331	1.496	50	40	BDGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)C1CC1	4646669	UIPNVDQIFDBWAD-AYONTLOWSA-N	206.289	1.935	50	40	BDGB	
C[C@@]12C=C[C@@](C)(O1)[C@H](Cl)C(=O)[C@@H]2Cl	4293594	PXHBVEGSUFMYSU-SPJNRGJMSA-N	221.083	1.888	50	40	BDGB	biogenic
OCc1ccnc(CBr)c1	228921337	JPGAPYWVECUCSS-UHFFFAOYSA-N	202.051	1.469	50	40	BDGB	
C[C@@H]1NN[C@H](C(F)(F)F)[C@H]1Br	585665280	RAGJAWZFQWQCFB-HZLVTQRSSA-N	233.031	1.177	50	40	BDGB	
COc1cccc(N/C=C(\C=O)[N+](=O)[O-])c1	34217576	LJAQEFUVKOEMQZ-RMKNXTFCSA-N	222.200	1.424	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc2c(c1)CCCC2	4701414	CYAAWYKLTJZOHN-OQLLNIDSSA-N	231.299	1.958	50	40	BDGB	
CC(C)Oc1ccc(/C=N/NC(N)=O)c(O)c1	6616712	BGRGPJSMEIDBOB-AWNIVKPZSA-N	237.259	1.182	50	40	BDGB	
CCC(=O)NNC(=O)Cc1ccc(Cl)cc1	14003123	KBLAYTHTVOGWKE-UHFFFAOYSA-N	240.690	1.440	50	40	BDGB	
CC(C)[C@H](C)CC(=O)NNC(=O)C1CC1	67899878	KXHBXTMZDMMPCF-MRVPVSSYSA-N	212.293	1.226	50	40	BDGB	
O=C(CN1CCCCC1)N/N=C/c1ccncc1	408719117	FIMQPPZFBWWSCV-XNTDXEJSSA-N	246.314	1.018	50	40	BDGB	
Cc1ccc(C(=O)[C@@H](Cl)S(C)(=O)=O)cc1	96517764	SYKHEUQJAIQDLQ-JTQLQIEISA-N	246.715	1.787	50	40	BDGB	
CN(C)/C=C(/C#N)C(=O)Nc1ccccc1	100072072	DKQRAHUZMNXWFV-KTKRTIGZSA-N	215.256	1.594	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(C#N)cc1	59334528	YQRXOSAACXXVNN-GHXNOFRVSA-N	225.251	1.553	50	40	BDGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC1	12408740	RHYDGEPXWCXHQD-FMIVXFBMSA-N	242.278	1.922	50	40	BDGB	
C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)NN	16846946	AUVJLWJIKNQANI-RXMQYKEDSA-N	248.113	1.784	50	40	BDGB	
CCC1(CO)COC(CCl)(CCl)OC1	68572164	KSKVALXSGAGVOO-UHFFFAOYSA-N	243.130	1.596	50	40	BDGB	
C[C@@H](C(=O)O)N(CCCl)CCCl	15	NRIFCKOLJVDPTP-LURJTMIESA-N	214.092	1.239	50	40	BDGB	biogenic,in-vitro
CN1CC[C@@H](CI)C1	79436929	CQTRIDILORUDGY-LURJTMIESA-N	225.073	1.373	50	40	BDGB	
CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)CCl	79406493	GEDTZOHWUJUPHH-UWVGGRQHSA-N	232.755	1.556	50	40	BDGB	
O=C1N[C@@H](c2cc(F)cc(F)c2)C(=O)O1	1772714791	VSXGCNKIWVRLKA-ZETCQYMHSA-N	213.139	1.272	50	40	BDGB	
Cc1ccc2c(c1)C(=C(C#N)C#N)C(=O)N2	47963	MHAAWKYKTQKIRG-UHFFFAOYSA-N	209.208	1.748	50	40	BDGB	
COc1cc(NC(=O)[C@@H](C)Cl)nc(OC)n1	369931	FBDBDGUEPOYHPO-RXMQYKEDSA-N	245.666	1.060	50	40	BDGB	
CCOC(=O)CC[C@@]1(C)OC[C@@H](CCl)O1	1676993	BWLBXNPVFFWRIS-SCZZXKLOSA-N	236.695	1.700	50	40	BDGB	
CCOC(=O)[C@H](I)CC	1755436	BEKQSWCOHDSDPD-RXMQYKEDSA-N	242.056	1.763	50	40	BDGB	
CN(C)C(=O)c1csc(C(=O)CCl)c1	39947636	DPXQZHHTRROBHP-UHFFFAOYSA-N	231.704	1.871	50	40	BDGB	in-vitro
CC(C)(C)C(=O)[C@@H](Cl)S(C)(=O)=O	96517780	BCAAPNUIBAZDJD-LURJTMIESA-N	212.698	1.211	50	40	BDGB	
C[C@@H]1C=C[C@@H]([C@H]2CC(=O)OC2=O)C12CC2	245241252	ZNKNMJIBQGFVDL-HLTSFMKQSA-N	206.241	1.678	50	40	BDGB	
C=C(C#N)[C@@H](O)c1ccccc1[N+](=O)[O-]	20064322	ZQZVKSQUPWEOJT-SNVBAGLBSA-N	204.185	1.708	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)C2CC2)s1	2790415	HPJIUBBDSCBXQR-IZZDOVSWSA-N	208.286	1.917	50	40	BDGB	
C=CCn1cc(/C=N/NC(N)=O)c2ccccc21	103700779	FGLGGAFQZJTODU-OVCLIPMQSA-N	242.282	1.830	50	40	BDGB	
C[C@H](Cl)C(=O)NC(=O)NC1CCCC1	12504928	IEPMHLKRBOVULO-LURJTMIESA-N	218.684	1.382	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)NCc1ccccc1	8390463	JDNLQIGJSNXTAW-MRVPVSSYSA-N	240.690	1.640	50	40	BDGB	
O[C@@H](CBr)C1CCOCC1	96511396	OKHIFRRBGHULIA-ZETCQYMHSA-N	209.083	1.169	50	40	BDGB	
CC(C)c1ccc(/C=N/NC(=O)NN)cc1	1592785	RRDPSSYETITCRJ-NTUHNPAUSA-N	220.276	1.317	50	40	BDGB	
CCCN(C=O)/N=C/c1ccc(O)cc1	3160697	CVWKYRCKRWITQO-XYOKQWHBSA-N	206.245	1.595	50	40	BDGB	
CN(C)[C@H]1CCCC[C@H]1N(C)C(=O)CCl	79406507	GEDTZOHWUJUPHH-VHSXEESVSA-N	232.755	1.556	50	40	BDGB	
COC(=O)N/N=C/c1c[nH]c2ccccc12	182647	HJTGOKSDGKNLEY-NTUHNPAUSA-N	217.228	1.858	50	40	BDGB	
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Cl	2650178	QGQFQOZYPDIRQG-IONNQARKSA-N	202.685	1.668	50	40	BDGB	in-vitro
C=CCN(C)NC(=O)Nc1ccccc1	329177	PARUEEWLHOSQJG-UHFFFAOYSA-N	205.261	1.841	50	40	BDGB	
O=C(Nc1ncnc2[nH]cnc12)C(Cl)Cl	1681647	YTDJXXVTEKMSCF-UHFFFAOYSA-N	246.057	1.095	50	40	BDGB	
O=C(SCCCl)C(=O)SCCCl	1656166	ZAPWXIJHPAXEQP-UHFFFAOYSA-N	247.168	1.984	50	40	BDGB	
CCNC(=O)NNc1ccc([N+](=O)[O-])cc1	4794223	MAMZWCAXDAKEET-UHFFFAOYSA-N	224.220	1.241	50	40	BDGB	
COCc1ccccc1CNC(=O)CCl	37654112	SNYNSSORCDDMTN-UHFFFAOYSA-N	227.691	1.688	50	40	BDGB	in-vitro
CC(C)(C)C(=O)/C=C/NNC(=O)c1ccncc1	408722676	CLCVZJWZHIPSKK-RMKNXTFCSA-N	247.298	1.445	50	40	BDGB	
CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]21	137089738	LEVGEMOUBVHJCN-MBLNEYKQSA-N	204.225	1.454	50	40	BDGB	
COc1ccc([N+](=O)[O-])cc1CNCCCl	95832206	APKWZCHXKUTRGW-UHFFFAOYSA-N	244.678	1.932	50	40	BDGB	
O=C(O)[C@H]1CC[C@H](C(=O)O)SS1	1685000	NQRRVGBUZRSXRF-QWWZWVQMSA-N	208.260	1.068	50	40	BDGB	
O=C(CCl)Nc1cccc(C(=O)O)c1	2774247	UDZHNOUYXZRNPF-UHFFFAOYSA-N	213.620	1.562	50	40	BDGB	in-vitro
CCOC(=O)N/N=C(\C)c1scnc1C	41699594	CLVVEJBYKAGVEE-YRNVUSSQSA-N	227.289	1.922	50	40	BDGB	
CC(=O)N(C)C[C@H]1CCCCN1C(=O)CCl	79416982	QGMZGDWLBVHOKQ-SNVBAGLBSA-N	246.738	1.085	50	40	BDGB	
O=C(CCl)N1C(=O)CSc2ccccc21	90399881	CYIZUSMRAHFMOI-UHFFFAOYSA-N	241.699	1.891	50	40	BDGB	
CCOC(=O)NNc1nc2ccccc2o1	5059920	JPEPKBIDMNQOIQ-UHFFFAOYSA-N	221.216	1.901	50	40	BDGB	
COc1ccc2c(c1)C(=O)OC(=O)C2(C)C	100036878	XAFPBWJMFWANOI-UHFFFAOYSA-N	220.224	1.670	50	40	BDGB	
O=C(NNc1ccccc1)C(=O)N1CCCCC1	2302460	FMHHGNRWALJELV-UHFFFAOYSA-N	247.298	1.142	50	40	BDGB	
Cc1ccc(-n2nnnc2CCl)cc1	4129633	YFGUHVZSDWRLSR-UHFFFAOYSA-N	208.652	1.710	50	40	BDGB	
C[C@H]1CN1P(=O)(N1C[C@@H]1C)N1C[C@@H]1C	70666022	AVUYXHYHTTVPRX-AUBNQJNXSA-N	215.237	1.207	50	40	BDGB	in-vitro
OB(O)c1cccc2c1[nH]c1ccccc12	199867823	RIUUHLXAZCECMM-UHFFFAOYSA-N	211.029	1.001	50	40	BDGB	
CO[C@@H]1C[C@H](C)C(=C(C#N)C#N)N1N(C)C	5500006	SOGCKEHXBXEGCM-WCBMZHEXSA-N	220.276	1.079	50	40	BDGB	
Fc1ccc(-n2nnnc2CCl)cc1	11757528	FIGNQIBUPZMKSM-UHFFFAOYSA-N	212.615	1.540	50	40	BDGB	
N#C/C=C/N1CCN(c2ccccn2)CC1	3315824	NUSHGBRUQQZNKX-XVNBXDOJSA-N	214.272	1.241	50	40	BDGB	
O/N=C(/CBr)C(F)(F)F	14628464	GTAMTJKIIPLJSN-WAPJZHGLSA-N	205.961	1.774	50	40	BDGB	
O=S1(=O)[C@H]2C=CC[C@@H]1[C@H](Cl)CC2	5045889	ZEAOMAZLLAHTAP-XLPZGREQSA-N	206.694	1.500	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1cccs1	432804	GCUDKFOETNNDPU-KPKJPENVSA-N	219.269	1.840	50	40	BDGB	
O=C1CCN(C(=O)OC(=O)c2ccccc2)CC1	59662706	TWBTXDGXTZAICT-UHFFFAOYSA-N	247.250	1.628	50	40	BDGB	
CCOc1ccc(/C(C)=N/NC(=O)CC#N)cc1	20248721	WNFQZIHYFQWVSB-XNTDXEJSSA-N	245.282	1.839	50	40	BDGB	
O=C(N/N=C\c1ccccc1O)C1CC1	72940725	PISRKRUCLRZATH-GHXNOFRVSA-N	204.229	1.252	50	40	BDGB	
OC[C@H]1CCCN(CCCCCl)C1	228955192	UWOGYZONPDIFST-JTQLQIEISA-N	205.729	1.710	50	40	BDGB	
N#C/C(=C\c1ccco1)C(=O)N1CCCC1	253445581	HFCYFVPCXCBXRW-CSKARUKUSA-N	216.240	1.809	50	40	BDGB	
N/C(CCl)=N\OC(=O)Nc1ccccc1	4280744	SFSBQDZAZSRWPB-UHFFFAOYSA-N	227.651	1.746	50	40	BDGB	
CCCCNC(=O)/C(C#N)=C\c1ccncc1	40889365	CXGTUIDYPCJAPF-XFXZXTDPSA-N	229.283	1.905	50	40	BDGB	
Nc1ccc(P(=O)(O)c2ccc(N)cc2)cc1	1705418	SEHNTANZOBODFJ-UHFFFAOYSA-N	248.222	1.072	50	40	BDGB	
O=C(CCl)OC[C@H]1C[C@H]2C=C[C@@H]1C2	2508208	YEQPPBCBKNMCKW-DJLDLDEBSA-N	200.665	1.981	50	40	BDGB	
CC(=O)NCc1ccc(C(=O)CCl)o1	3278154	CECVWYQULDGTQX-UHFFFAOYSA-N	215.636	1.337	50	40	BDGB	
Cc1nnc(NC(=O)C(Cl)Cl)s1	4043868	GMLAGNWVBCYQPU-UHFFFAOYSA-N	226.088	1.589	50	40	BDGB	
CCCn1nnc(NC(=O)CCCCl)n1	6593849	WOGWMAKKSVXBEY-UHFFFAOYSA-N	231.687	1.041	50	40	BDGB	
CCOc1cc(/C=N/NC(=O)OC)ccc1O	491959	ZIEROCRNWRMODY-KPKJPENVSA-N	238.243	1.481	50	40	BDGB	
CSc1ccc(/C=C(\C#N)C(N)=O)cc1	12368670	MRODCNCPVWXKAT-RMKNXTFCSA-N	218.281	1.801	50	40	BDGB	
COc1ccc(-c2ccccc2)cc1C(=O)NN	57339912	VAHFZFPFIZHFGH-UHFFFAOYSA-N	242.278	1.966	50	40	BDGB	
C=CCOc1cccc(/C=N/NC(=O)CC#N)c1	408719625	ICYUYCHVPLBHSD-XNTDXEJSSA-N	243.266	1.615	50	40	BDGB	
Cc1n[nH]c(C)c1NC(=O)CCCl	36736477	JIGQXTUUARUZQX-UHFFFAOYSA-N	201.657	1.594	50	40	BDGB	
C/C(=N\NC(N)=O)C(=O)[C@H](C)Cc1ccccc1	4266434	XHXWFPNCACRGDT-BNXJGPFFSA-N	247.298	1.479	50	40	BDGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)NC(N)=O	1560867	TULDSTUSTBAXAC-YVMONPNESA-N	249.657	1.442	50	40	BDGB	
O=C(N/N=C/c1cccc(F)c1)c1ccccn1	232317	MSVXIQBLWMDZRT-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
C[C@@]12C=C[C@](C)(O1)[C@@H](Cl)C(=O)[C@H]2Cl	100350922	PXHBVEGSUFMYSU-KZVJFYERSA-N	221.083	1.888	50	40	BDGB	
CCOC(=O)N/N=C(\C)c1cc(O)ccc1O	408733982	AYAMTHFBOGDLHP-KPKJPENVSA-N	238.243	1.568	50	40	BDGB	
C[C@@H]1CN1P(=O)(N1CCCCC1)N1C[C@H]1C	301054445	OCRXPZTTXWTEPZ-UTCOXKKVSA-N	243.291	1.989	50	40	BDGB	
C/C(=N/NC(N)=O)[C@@H]1CC2CCC1CC2	5046461	SMFGICBZVLOMMN-LETVZEMFSA-N	209.293	1.857	50	40	BDGB	
CC(=O)N1CCC[C@@H](CBr)C1	19783808	DXBAMFBOBICGSY-QMMMGPOBSA-N	220.110	1.640	50	40	BDGB	
CCO/N=C(/C)[C@@H](C)SS(=O)(=O)O	6385475	AGSGVLMGOOFQBK-XOQWBGJWSA-N	227.307	1.323	50	40	BDGB	
Cc1cc(CNC(=O)CCl)ccc1F	12505723	SXUYFXHQYKKYKM-UHFFFAOYSA-N	215.655	1.989	50	40	BDGB	
N#CSCC1=CS(=O)(=O)C[C@H]1SC#N	100839338	OPYTWPPPTVQFCK-SSDOTTSWSA-N	246.338	1.096	50	40	BDGB	
CO/C=N/NC(=O)c1cccc([N+](=O)[O-])c1C	8781599	SPDFPDYOTIJSRW-IZZDOVSWSA-N	237.215	1.223	50	40	BDGB	
C=CCOc1ccc(/C=N/NC(C)=O)c(O)c1	20248735	SFNXFEQDMKTOTP-MDWZMJQESA-N	234.255	1.427	50	40	BDGB	
Cc1ccc(NC(=S)NNC=O)cc1C	16970717	BWQROUCFYYISQR-UHFFFAOYSA-N	223.301	1.251	50	40	BDGB	
O=C(NN=Cc1ccncc1)c1ccc(O)cc1	26505342	SWQLMXYLIIQWGS-UHFFFAOYSA-N	241.250	1.551	50	40	BDGB	
CN1CCC(NNC(=O)c2ccccc2)CC1	34156998	NNALKJUMRUSNQD-UHFFFAOYSA-N	233.315	1.015	50	40	BDGB	
CC(C)(C)OC(=O)N1C(C=O)=CS[C@@H]1N	71791431	SUJBWQJKURLRPJ-SSDOTTSWSA-N	230.289	1.253	50	40	BDGB	
C[C@H]1CN1P(=O)(N1C[C@H]1C)N1C[C@H]1C	212537123	AVUYXHYHTTVPRX-LSUXTDGCSA-N	215.237	1.207	50	40	BDGB	in-vitro
Cc1ccc([C@H](O)CNC(=O)CCl)cc1	96096221	NQANEGVMTSERRD-SNVBAGLBSA-N	227.691	1.383	50	40	BDGB	
O=C1CC[C@H](CI)O1	38221569	JINVQKMSBSYTHN-SCSAIBSYSA-N	226.013	1.127	50	40	BDGB	in-vitro
CCOc1ccc(OCC)c(C(=O)NN)c1	113703791	OWEPVDLKBMZRDM-UHFFFAOYSA-N	224.260	1.088	50	40	BDGB	
CCOC(=O)[C@H](Cl)[C@@H](Cl)C(=O)OCC	1683360	PBGMSGHICSEALQ-PHDIDXHHSA-N	243.086	1.327	50	40	BDGB	
CC1(C)CC(=O)[C@@H](N=C=O)[C@@](C)(N=C=O)C1	59214393	KGGLJOZZTDIYAE-KOLCDFICSA-N	222.244	1.174	50	40	BDGB	
CCOC(=O)C1CCN(C(=O)[C@H](C)Cl)CC1	3887320	AVZSMRMIZSTDGN-QMMMGPOBSA-N	247.722	1.415	50	40	BDGB	
O=C(CCl)c1c[nH]c(C(=O)N2CCCC2)c1	4218837	VIYHJEYDCBDIDU-UHFFFAOYSA-N	240.690	1.672	50	40	BDGB	
CCC[C@H](C(=O)NN)N1CCCC[C@H]1C	251334458	NWRJGDWUGCHPSY-NXEZZACHSA-N	213.325	1.019	50	40	BDGB	
CC/C(C)=N\NC(=O)CNC(=O)c1ccccc1	16739827	ONYAYEIDHJOKIP-GDNBJRDFSA-N	247.298	1.319	50	40	BDGB	
CC(C)(C)C(=O)[C@@H](Br)C#N	35874509	JCPSORMNCXDSGA-YFKPBYRVSA-N	204.067	1.889	50	40	BDGB	in-vitro
COC1(CBr)CCOCC1	95883330	MCAMKERLPFRVAW-UHFFFAOYSA-N	209.083	1.577	50	40	BDGB	in-vitro
C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NN	545682	JHOFHSOJIWLDEZ-YFKPBYRVSA-N	248.113	1.784	50	40	BDGB	
CC1=C[C@@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31	104281451	SHNKPHYZJIVILY-ALMWHKAHSA-N	216.236	1.310	50	40	BDGB	
Cc1ccc(C)c2ncc(C(=O)NN)cc12	68135223	YKAGIVPBAMNKHR-UHFFFAOYSA-N	215.256	1.455	50	40	BDGB	
O=C(NNc1nccs1)c1ccncc1	238611480	JXSRIQSDCDYDQX-UHFFFAOYSA-N	220.257	1.295	50	40	BDGB	
C/C(CC(=O)c1ccccc1)=N\NC(=O)CC#N	100911115	MMNXYCSEWJLAGC-XNTDXEJSSA-N	243.266	1.665	50	40	BDGB	
Cc1ccc2c(c1)C(=O)C(=O)N2CCCl	2271319	FHTIEEPRGXDGFW-UHFFFAOYSA-N	223.659	1.763	50	40	BDGB	
COC(=O)C1CCN(CCCCl)CC1	42372910	KTAGDBPLWSDTAC-UHFFFAOYSA-N	219.712	1.500	50	40	BDGB	in-vitro
O=C(Cl)c1cc(Cl)cc2n[nH]nc12	73633853	ZECNYOJLVAQKIF-UHFFFAOYSA-N	216.027	1.990	50	40	BDGB	
CO[C@@H]1C[C@@H](C)C(=C(C#N)C#N)N1N(C)C	5500001	SOGCKEHXBXEGCM-PSASIEDQSA-N	220.276	1.079	50	40	BDGB	
CO[C@H]1O[C@@H](CCl)[C@@H](Cl)[C@@H](Cl)[C@H]1O	5063266	KZFOYKYGKRJACD-CJZRUXIPSA-N	249.521	1.172	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)o1	4973961	QZGFTLPBWMOZKQ-YFHOEESVSA-N	247.298	1.777	50	40	BDGB	
O=C(CCCl)Nc1cccc2c1OCO2	2275523	PDGNVXRNNYORCH-UHFFFAOYSA-N	227.647	1.983	50	40	BDGB	
CCO/C=C(/C(=O)CCl)C(=O)OCC	4060963	PQDITXPSSZYDEM-SREVYHEPSA-N	220.652	1.278	50	40	BDGB	
N#CCC(=O)N/N=C/C=C/c1ccccc1	58951769	UUBQLTFNWHZHOU-QLIBBRQFSA-N	213.240	1.715	50	40	BDGB	
Nc1ccc(C(=O)N/N=C/c2ccncc2)cc1	45718	KOPAMIPIWKJYGK-CXUHLZMHSA-N	240.266	1.428	50	40	BDGB	
COC(=O)NNc1ccc([N+](=O)[O-])cc1	4748282	SCEGCLQQOMZTSX-UHFFFAOYSA-N	211.177	1.278	50	40	BDGB	
CCC(CC)=NNC(=O)C(=O)NCC(C)C	58885552	JCHNCOKWNZNNEV-UHFFFAOYSA-N	227.308	1.051	50	40	BDGB	
NC(=O)N/N=C/c1ccc(N2CCCC2)cc1	4738844	KXPFOBQKDBUZSC-NTEUORMPSA-N	232.287	1.289	50	40	BDGB	
CC(=O)N1CCC[C@@H]1CBr	79436794	VEORRLMAIMETPN-SSDOTTSWSA-N	206.083	1.392	50	40	BDGB	
CN(CC(=O)c1cccs1)C(=O)CCl	79436149	ZHPCZZNTQOBPPL-UHFFFAOYSA-N	231.704	1.628	50	40	BDGB	
CCCCNC(=O)/C(C#N)=C\c1cccnc1	6472579	QPYQQLJBTBIDFW-WQLSENKSSA-N	229.283	1.905	50	40	BDGB	
O=Cc1ccc(NC(=O)CCl)c(O)c1	82238026	XJVJSJJDAJQPRJ-UHFFFAOYSA-N	213.620	1.382	50	40	BDGB	
O=C(O)c1ccc(CBr)cn1	144071651	DJLXCJIHLRAPSZ-UHFFFAOYSA-N	216.034	1.675	50	40	BDGB	
COc1ccccc1/C=C(\C#N)C(=O)O	1625444	MLSFNPJOOCGHKT-RMKNXTFCSA-N	203.197	1.687	50	40	BDGB	
CC(C)/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	242792	MJSGZRMGVIWQGW-KPKJPENVSA-N	235.243	1.966	50	40	BDGB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCl	1707302	WECOPMBZMWMHAB-UHFFFAOYSA-N	240.602	1.387	50	40	BDGB	
O=C(O)[C@H]1[C@H]2C[C@@H](Br)[C@@H]1CC2=O	225629652	BXXPKNCQABBGDK-MEOJTODESA-N	233.061	1.060	50	40	BDGB	
O=C(N/N=C/c1cccc(O)c1)C(F)(F)F	872263	KMUQCKAJPCBMSJ-WLRTZDKTSA-N	232.161	1.405	50	40	BDGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccccc1	8350216	KJLQIMXUJYQFOA-LLVKDONJSA-N	244.294	1.804	50	40	BDGB	
CC(=O)[C@H](Cl)C(=O)OCc1ccccc1	101240586	PVVLYVXLOBBQBK-JTQLQIEISA-N	226.659	1.926	50	40	BDGB	
COc1cccc(NC(=O)C(=O)NN=C(C)C)c1	59515779	ULZYAVKVIPKWKU-UHFFFAOYSA-N	249.270	1.146	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C/c1ccccc1F	10278954	DEFVDTAOGIUJLI-RMKNXTFCSA-N	225.244	1.735	50	40	BDGB	
O=C(Cl)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	36449383	ZEMNPBSGWVIXTF-UHFFFAOYSA-N	230.563	1.882	50	40	BDGB	in-vitro
CN(C=O)c1ccc(C(=O)CCl)cc1	34974933	JTKOYZFANYMNQA-UHFFFAOYSA-N	211.648	1.701	50	40	BDGB	
ClCc1cncn1C[C@@H]1CCCO1	85216125	VRHZPZUQEDJDLN-VIFPVBQESA-N	200.669	1.801	50	40	BDGB	
Cc1cccc(-c2ncc(C(=O)NN)c(C)n2)c1	223454328	SLHRMEPBEUICGM-UHFFFAOYSA-N	242.282	1.364	50	40	BDGB	
CC1(C)OB([C@H](N)CCCCl)OC1(C)C	195919710	RIYRGFBBSRZMDH-MRVPVSSYSA-N	233.548	1.964	50	40	BDGB	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CCl	2661403	RZMQRXRWKFLFEN-HTQZYQBOSA-N	232.711	1.630	50	40	BDGB	
[N-]=[N+]=Nc1nonc1NC(=O)CCl	15219266	HVQWPNYGNVRSCA-UHFFFAOYSA-N	202.561	1.189	50	40	BDGB	
CCn1cc(-c2nc(CCl)cc(=O)[nH]2)cn1	72226240	BYKJIPUKCGLTHO-UHFFFAOYSA-N	238.678	1.392	50	40	BDGB	
COC(=O)[C@H]1C[C@H]2C[C@@H]1C(=O)[C@@H]2Br	85385485	XKWLNOVDLCIPOC-JRTVQGFMSA-N	247.088	1.148	50	40	BDGB	
O=C(CCl)Nc1nnc([C@@H]2CCCO2)o1	57218529	DCVMRUJYKDAOHJ-YFKPBYRVSA-N	231.639	1.098	50	40	BDGB	in-vitro
CSc1ccc(/C=N/NC(=O)[C@H](C)O)cc1	59444537	BQAZVXREHFHMBE-OTIXFSKASA-N	238.312	1.239	50	40	BDGB	
C/C=C(/C)C(=O)N/N=C\c1ccc(O)cc1O	17125987	OUYUXAASAYULAM-OHKVXCABSA-N	234.255	1.514	50	40	BDGB	
CCCCNC(=O)NNC(=O)C1CCCCC1	6592422	FNLAUUNCTPJXHD-UHFFFAOYSA-N	241.335	1.697	50	40	BDGB	
O=C(CCl)NC[C@H](CO)c1ccccc1	71405451	QPHCXHNKDBKRAT-SNVBAGLBSA-N	227.691	1.118	50	40	BDGB	
Cc1ccccc1NNC(=O)C1CCNCC1	228936948	UFVNYNSTNIPZLU-UHFFFAOYSA-N	233.315	1.438	50	40	BDGB	
O=C(CCl)C1CCC2(CC1)OCCO2	228962070	HNRCQSVWUJWTRK-UHFFFAOYSA-N	218.680	1.728	50	40	BDGB	
COc1cc(C(=O)CBr)ccn1	95915187	LSEAFYYGGQILPK-UHFFFAOYSA-N	230.061	1.668	50	40	BDGB	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Cl)CC1	3887319	AVZSMRMIZSTDGN-MRVPVSSYSA-N	247.722	1.415	50	40	BDGB	
C[C@@H](Cl)C(=O)NC[C@@H]1CCCS1	87668029	MSEMYNPDVDDYNS-RQJHMYQMSA-N	207.726	1.626	50	40	BDGB	
Cc1noc(-c2ccc3nnc(CCl)n3c2)n1	96516521	YJPFXMIZKSKTTP-UHFFFAOYSA-N	249.661	1.827	50	40	BDGB	
O=[N+]([O-])c1ccc(CBr)cn1	166208602	RWMMMFKJDQNPTR-UHFFFAOYSA-N	217.022	1.885	50	40	BDGB	in-vitro
C[C@@H](Cl)C(=O)Nc1cccc(C(N)=O)c1	37391206	SDQFWVZYCFYQIS-ZCFIWIBFSA-N	226.663	1.351	50	40	BDGB	
N#C/C(C(=O)c1ccncc1)=C1/NC=CS1	16756661	YYLNERIRTFVDGD-PKNBQFBNSA-N	229.264	1.807	50	40	BDGB	
CC(=O)N/N=C(\C)CC(=O)Nc1ccc(C)cc1	5363175	YVKRHSJZHNISKH-XNTDXEJSSA-N	247.298	1.836	50	40	BDGB	
COC(=O)c1ccc(C(=O)CCCl)o1	85394236	FFXHVQJNTRPNTF-UHFFFAOYSA-N	216.620	1.878	50	40	BDGB	
NNC(=O)c1ccc(-c2ccco2)cc1	13942959	DXDHLAGATMYASF-UHFFFAOYSA-N	202.213	1.550	50	40	BDGB	
O=C(CCl)N1CCN(C2CCCCC2)CC1	19735562	OVOYFSUTZVZQCI-UHFFFAOYSA-N	244.766	1.702	50	40	BDGB	
O=C1N(C2CC2)CC1(CCl)CCl	1535541719	BXBRGAGSUZQYAP-UHFFFAOYSA-N	208.088	1.455	50	40	BDGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)NC(N)=O	222259206	UJTUIRHTTIZQGE-YWEYNIOJSA-N	249.657	1.442	50	40	BDGB	
CC1CC(NC(=O)[C@@H](C)Br)C1	85396025	ZEOVITVGACSPPH-YURFNIAASA-N	220.110	1.685	50	40	BDGB	
O=C1[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]3[C@@H](Br)[C@@H]2[C@@H]5[C@H]14	195529076	AMHCEXBDUDDEPZ-QPAFDRJZSA-N	239.112	1.707	50	40	BDGB	
O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)O1	238566632	RPSPMIWRQGVQHZ-QMMMGPOBSA-N	225.631	1.518	50	40	BDGB	
COC(=O)N/N=C(\CCl)c1ccccc1	217660225	ZQFXUKCVSYCSEQ-FMIVXFBMSA-N	226.663	1.986	50	40	BDGB	
C/C(=N\NC(=O)c1ccc(N)cc1)C1CC1	358050	AKPCNQGGRFMTMI-RIYZIHGNSA-N	217.272	1.785	50	40	BDGB	
CO[C@@H]1CC[C@@H]2N[C@@H](Cl)C[C@@H](C(=O)O)[C@@H]2C1	4532486	CWGRCZUHVKLQCS-MQIGXGKASA-N	247.722	1.429	50	40	BDGB	
Cn1cccc1CC(=O)N/N=C\c1ccco1	4482760	ZDPDZKZKEPQHNX-LCYFTJDESA-N	231.255	1.311	50	40	BDGB	
Cc1ccc(C(=O)NC=C(C#N)C#N)cc1	283986	YTUQBSLJECBLTN-UHFFFAOYSA-N	211.224	1.656	50	40	BDGB	
N#C/C(=C\Nc1ccccn1)C(=O)C1CC1	6591152	GUJHVNHITJUTSX-CSKARUKUSA-N	213.240	1.880	50	40	BDGB	in-vitro
Cc1ccccc1C(=O)N/N=C1/CCCN1	3185206	HDBBWNXEZIATPU-UHFFFAOYSA-N	217.272	1.422	50	40	BDGB	
CC(C)Oc1ccc(CC(=O)NN)cc1	20134031	UHZSRQNVQRETOO-UHFFFAOYSA-N	208.261	1.006	50	40	BDGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccncc1	408815542	RPSNXBLHLXEMOU-ZDIKFAODSA-N	229.283	1.903	50	40	BDGB	
COC1CCC(NC(=O)CCl)CC1	79392016	WCVIYFDYUQIWJN-UHFFFAOYSA-N	205.685	1.299	50	40	BDGB	
C[C@@H](Br)/C(O)=N/c1ncn[nH]1	41719809	SOYGMWMTQLEIHJ-GSVOUGTGSA-N	219.042	1.176	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc(C)c(C)c1	5161684	GAVDZFWYWOPYEU-UKTHLTGXSA-N	205.261	1.696	50	40	BDGB	
NNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	90612988	XMPIBCCKRTYERQ-UHFFFAOYSA-N	249.148	1.217	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C\c1cccc(Cl)c1	91302311	BKMDREINDHMFQI-QROVAJIDSA-N	230.658	1.976	50	40	BDGB	
Cc1ccc(S(=O)(=O)NCCl)cc1	500015	YNIABGKTRHDADT-UHFFFAOYSA-N	219.693	1.470	50	40	BDGB	
COC(C)(C)C[C@H](C)OC(=O)CCl	2044603	FHJOHWXJSVRXMI-ZETCQYMHSA-N	208.685	1.972	50	40	BDGB	
CC(=O)N1CCC(OCCCl)CC1	6692500	NDTHGXURIGRYEI-UHFFFAOYSA-N	205.685	1.253	50	40	BDGB	
Cc1ccsc1/C=N/NC(=O)C1CC1	2755336	YWCDVBYPDUSYMD-IZZDOVSWSA-N	208.286	1.917	50	40	BDGB	
CN(C)C[C@H](Cl)C(=O)c1ccc(O)c(O)c1	20123640	WTBQPUROFQQQQX-QMMMGPOBSA-N	243.690	1.450	50	40	BDGB	
O=C(CO)N/N=C/c1ccc(Cl)c(Cl)c1	59459598	QHBNVWUYFIOEII-UUILKARUSA-N	247.081	1.436	50	40	BDGB	
Cc1ccccc1/C=N\NC(=O)c1cnccn1	33322824	JKNIRPUBSPFLOS-PXNMLYILSA-N	240.266	1.549	50	40	BDGB	
NCCOC[C@H](Br)C(F)(F)F	1083811689	DULOQOUZVKAGFA-BYPYZUCNSA-N	236.031	1.288	50	40	BDGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC1	369394	UIPNVDQIFDBWAD-AVXCTXGYSA-N	206.289	1.935	50	40	BDGB	
CC(C)c1nnc(NC(=O)CCl)o1	32627026	LPAIUCJKHQQTCI-UHFFFAOYSA-N	203.629	1.370	50	40	BDGB	in-vitro
Nc1ccc(NS(=O)(=O)CCl)cc1	1736326	QDEUWPUUTQRFNF-UHFFFAOYSA-N	220.681	1.207	50	40	BDGB	
CC(=O)N/N=C/c1ccc(Br)s1	1513899	XDQGTXJXTXUWLJ-RUDMXATFSA-N	247.117	1.981	50	40	BDGB	
CC(=O)NCCc1ccc(C(=O)CCl)cc1	3351160	NJBTUZLVPGGQGZ-UHFFFAOYSA-N	239.702	1.787	50	40	BDGB	
Cc1ccc[n+](C[C@H](Br)C(=O)O)c1	4492139	IVHXLLYXCWBJKB-QMMMGPOBSA-O	245.096	1.131	50	40	BDGB	
CC(C)(C)C(=O)CNC(=O)CBr	72207545	UEVZDORKMINTGF-UHFFFAOYSA-N	236.109	1.113	50	40	BDGB	
COc1cccc(C(=O)NN=C(C)C)c1	5290964	AKXKRIJDHNMIPI-UHFFFAOYSA-N	206.245	1.821	50	40	BDGB	
COC(=O)N/N=C\c1ccc(O)c(OC)c1	104181457	USNCBVZYPLGNDP-WDZFZDKYSA-N	224.216	1.091	50	40	BDGB	
O=c1oc2cccnc2n1CCBr	38675795	WYKFNKAPXYINNF-UHFFFAOYSA-N	243.060	1.384	50	40	BDGB	
Nc1ccc2c(c1)C(=O)O[C@H]2Br	217676448	SILSLFVOJSGWIF-SSDOTTSWSA-N	228.045	1.833	50	40	BDGB	
Cc1ncc(C(=O)NN)c(-c2ccccc2)n1	226101436	UAYIJSUDGRXNNU-UHFFFAOYSA-N	228.255	1.056	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1-c1cccc(F)c1	223706859	VZZTZTBPXIWQFD-UHFFFAOYSA-N	247.273	1.837	50	40	BDGB	
Cc1cc(C(=O)CBr)nn1C	95075665	UFWFRCVUBHLVSP-UHFFFAOYSA-N	217.066	1.306	50	40	BDGB	
CCOC(=O)[C@H]1[C@H](/C=C(\C)C=O)C1(C)C	59866127	NZCQSUAYJCWCDR-JSJQHLISSA-N	210.273	1.967	50	40	BDGB	
O=C1N[C@@H](c2cccc(Cl)c2)C(=O)O1	1772714747	PRUDSSXONAMWEX-ZETCQYMHSA-N	211.604	1.648	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/CCCCCN1	100206697	OIIXRHZKCPKQIV-KTKRTIGZSA-N	208.261	1.491	50	40	BDGB	
O=C(O)C1C[C@H](Cl)C(O)[C@@H](Cl)C1	1578660	JNUHWTZADSDQNU-CHJPALPBSA-N	213.060	1.057	50	40	BDGB	
O=C(CCl)N1CC[C@H](Br)C1	100188145	YKSVEYNHBOKKSW-YFKPBYRVSA-N	226.501	1.221	50	40	BDGB	
Cc1occc1C(=O)NNC(=O)C[C@@H]1C=CCC1	14229671	IPAQZEVZLMJAES-SNVBAGLBSA-N	248.282	1.705	50	40	BDGB	
C=CCn1c(CC(C)C)ccc1C(=O)NN	226023239	AZTWXKIZDGFHIB-UHFFFAOYSA-N	221.304	1.476	50	40	BDGB	
O=C(NCCCl)Nc1ccccc1C(=O)O	1730683	DOEFHRFLTIQIFS-UHFFFAOYSA-N	242.662	1.745	50	40	BDGB	
O=C(NN=C1CCCC1)C(=O)NC1CCCC1	59434287	KITFIDHGYVOIMG-UHFFFAOYSA-N	237.303	1.091	50	40	BDGB	
Cc1ccc(CSCCC(=O)NN)cc1	16970827	ZRHLCIMDKWSWBV-UHFFFAOYSA-N	224.329	1.608	50	40	BDGB	
Cc1cc(OCC(=O)NN)c2cccc(C)c2n1	45928538	IPOSDSXDPYSPQE-UHFFFAOYSA-N	245.282	1.220	50	40	BDGB	
O=C(Cl)[C@H]1CC(=O)N(c2ccccc2F)C1	45952403	SVPQSGFQKDAFJI-ZETCQYMHSA-N	241.649	1.944	50	40	BDGB	
CC(=O)N/N=C/c1ccc(Cl)s1	5899917	ARRVRNORHRNQGV-RUDMXATFSA-N	202.666	1.872	50	40	BDGB	
CN(C)c1ccc(CNC(=O)CCl)cc1	8160806	YKHOGLDWTMWRTJ-UHFFFAOYSA-N	226.707	1.608	50	40	BDGB	in-vitro
NC(=O)N/N=C/c1cccc2[nH]ccc12	3091621	KXAGDCVDUARJBU-AWNIVKPZSA-N	202.217	1.170	50	40	BDGB	
O=C1N[C@@]2(CCc3ccccc32)C(=O)O1	104575388	DKSTXLMDHUKADW-LLVKDONJSA-N	203.197	1.095	50	40	BDGB	
CC(=O)N/N=C/c1c(C)[nH]c2ccccc12	58800414	QNGJSLSPQFYIEI-NTUHNPAUSA-N	215.256	1.946	50	40	BDGB	
ClCc1cncn1C[C@H]1CCCO1	85216127	VRHZPZUQEDJDLN-SECBINFHSA-N	200.669	1.801	50	40	BDGB	
CCCOc1cccc(C(=O)NNC(C)=O)c1	48823391	HAQCWUBDSNKERD-UHFFFAOYSA-N	236.271	1.256	50	40	BDGB	
O=C(N/N=C/c1ccco1)c1cccc(O)c1	1509756	MENSZIULSIBXCC-MDWZMJQESA-N	230.223	1.749	50	40	BDGB	
CC(C)(C)C(=O)[C@H](Br)C#N	35874508	JCPSORMNCXDSGA-RXMQYKEDSA-N	204.067	1.889	50	40	BDGB	in-vitro
CC(=O)N[C@]1(C(F)(F)F)C(O)=NC(C)=C1C#N	4110424	RMNPBYDOBFXBFH-QMMMGPOBSA-N	247.176	1.191	50	40	BDGB	
C=CCOC[C@H](CCl)OC(=O)C(C)C	1583979	AMLQYMDFIMMIAW-VIFPVBQESA-N	220.696	1.996	50	40	BDGB	
NNC(=O)c1cc2c3ccccc3nc-2c[nH]1	104076420	RGPDQQLQFGPZQD-UHFFFAOYSA-N	226.239	1.271	50	40	BDGB	
C/C(=N\NC(N)=O)[C@@H]1C[C@H](CC(C)C)C(=O)O1	4728754	XGSGWQPVGYSNRK-KWMFLURBSA-N	241.291	1.008	50	40	BDGB	
C/C(=N\NC(=O)C(C)C)c1ccc(O)cc1O	32100103	BJCLTQFHBRQGEQ-MDWZMJQESA-N	236.271	1.594	50	40	BDGB	
NC(=O)N/N=C(\c1ccccc1)c1ccccn1	5772268	HIQYURBWDPCZPW-FOWTUZBSSA-N	240.266	1.502	50	40	BDGB	
COc1ccnc(NNC(=O)[C@H]2CC=CCC2)n1	40510818	AGEWKZWKPCANJQ-VIFPVBQESA-N	248.286	1.285	50	40	BDGB	
C/C(=N/NC(=O)CC#N)c1ccc(F)cc1	27586524	LRTQGWRMBAXQMR-ZSOIEALJSA-N	219.219	1.580	50	40	BDGB	
COc1ccc(C(CO)=C(C#N)C#N)cc1OC	15109745	HEPKWEPGZDERFE-UHFFFAOYSA-N	244.250	1.497	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)Br	110763314	IHSBVWONKSWOOF-GSVOUGTGSA-N	221.503	1.338	50	40	BDGB	
Cc1nc2ccc(C(=O)NN(C)C)cc2s1	409191004	YDGXRBHGRJMHNX-UHFFFAOYSA-N	235.312	1.811	50	40	BDGB	
CC(=O)N(C)C1CCC(NC(=O)CCl)CC1	79416995	BTUIUJUFZFTTFF-UHFFFAOYSA-N	246.738	1.131	50	40	BDGB	
O=C1C[C@H]2[C@H](Br)C[C@@H]1[C@H]2C(=O)O	225629629	BXXPKNCQABBGDK-HHJANIIPSA-N	233.061	1.060	50	40	BDGB	
C[C@]12OO[C@](C)(c3ccccc31)[C@@H]1O[C@H]12	230070290	CUTPXGIPWKCNTF-KKOKHZNYSA-N	204.225	1.860	50	40	BDGB	
COC(=O)[C@@H]1[C@@H]2CC(=O)[C@@H]1C[C@H]2Br	242498515	HJVJEVYKBDLXPL-BYPJNBLXSA-N	247.088	1.148	50	40	BDGB	
COC(=O)c1cc2c(cc1/C=C\C=O)OCO2	17142468	ORZAMBCSJFIEFK-IHWYPQMZSA-N	234.207	1.414	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/C=C(N)CCC1	1703808	FNUWZZNMDNVUQJ-CSKARUKUSA-N	206.245	1.396	50	40	BDGB	
CC(C)NNC(=O)c1ccc(Cl)cc1	1678597	QHZLYJFTHWJCAB-UHFFFAOYSA-N	212.680	1.983	50	40	BDGB	
N#C/C(=C\c1ccc[nH]1)C(=O)NCc1ccco1	4976899	KVNDUYPNJQVMIW-JXMROGBWSA-N	241.250	1.831	50	40	BDGB	
O=C(Cl)c1n[nH]cc1Br	12357572	RQMMGBLUQICLPX-UHFFFAOYSA-N	209.430	1.551	50	40	BDGB	
CN1[C@H]2CC[C@H]1CC(OC(=O)CCCl)C2	100764964	YJHIXVZNCIVBIO-IUCAKERBSA-N	231.723	1.784	50	40	BDGB	
COC(=O)c1ccc(C)c(NC(=O)CCl)c1	4200290	URTXPUFVJPYMIP-UHFFFAOYSA-N	241.674	1.959	50	40	BDGB	
NC(=O)N/N=C/C=C/c1ccc(F)cc1	4889270	SYWLJJMLYOHQEE-BIZLIJPVSA-N	207.208	1.493	50	40	BDGB	
C[C@H](C(=O)Cl)n1cc(Br)cn1	47218754	VYEIQDMNXCCJPI-SCSAIBSYSA-N	237.484	1.972	50	40	BDGB	
Cc1ccc(C)n1Cc1ccc(C(=O)NN)o1	226032429	UOVMHZNIRZVBMI-UHFFFAOYSA-N	233.271	1.350	50	40	BDGB	
O=C1C[C@@H](Cl)C(=O)N1c1ccc(F)cc1	100639690	XOILYCNQNGCSSV-MRVPVSSYSA-N	227.622	1.696	50	40	BDGB	
Cn1nccc1/C=C(\C#N)c1ccccn1	32789509	ASNVHRYNLYKLKL-CSKARUKUSA-N	210.240	1.879	50	40	BDGB	
Cc1c(Cl)cccc1NCC(=O)NN	587933	VQTXQMPLJKNDNP-UHFFFAOYSA-N	213.668	1.050	50	40	BDGB	in-vitro
O=C1ON=C(CCl)/C1=C\c1ccccn1	34926746	GNBAXRVRVCMWTJ-VMPITWQZSA-N	222.631	1.617	50	40	BDGB	
CCOC(=O)N1CCC(Cl)=C(C=O)C1	33638137	BMUCDCSKVFZPSS-UHFFFAOYSA-N	217.652	1.540	50	40	BDGB	
CC[C@@H](C)CNC(=O)CBr	82511128	ONQKTFCTFSVATN-ZCFIWIBFSA-N	208.099	1.544	50	40	BDGB	
Cc1sc2c(B(O)O)cccc2c1C	195879872	VWDREGUFPLPEPN-UHFFFAOYSA-N	206.075	1.198	50	40	BDGB	
O=C1Nc2c(F)cccc2/C1=N/NC(=O)C1CC1	223760640	CGPPZVWQDMXUQC-UHFFFAOYSA-N	247.229	1.008	50	40	BDGB	
CCCCNC(=O)NC(=O)[C@@H](C)Cl	36904953	WIVAKQBKZYQWMW-ZCFIWIBFSA-N	206.673	1.240	50	40	BDGB	in-vitro
CCCCC[C@H]1C[C@@H](O)C=C(C)[C@H]1C(=O)NN	102750536	PPCFHJICCBNMPT-SDDRHHMPSA-N	240.347	1.500	50	40	BDGB	
CN1C=CC=C/C1=C(\C#N)C(N)=C(C#N)C#N	97946010	DNTDTVOSBNUDFU-KHPPLWFESA-N	223.239	1.039	50	40	BDGB	
CCOC(=O)/C(C#N)=C(\C)c1cccnc1	32182079	UWMFRHQDLIMPTA-PKNBQFBNSA-N	216.240	1.942	50	40	BDGB	
CN1CCC[C@@H]1CI	79436919	SFMBCWMRPYQHDT-ZCFIWIBFSA-N	225.073	1.516	50	40	BDGB	
CC(C)=NNC(=O)[C@H]1CCN1Cc1ccccc1	5601622	JYJCWBSYRHILKI-CYBMUJFWSA-N	245.326	1.773	50	40	BDGB	
CCOC(=O)/C(C)=N\NC(=O)c1ccccc1	11990269	OZNUYZXPDBNKNQ-LCYFTJDESA-N	234.255	1.355	50	40	BDGB	
CCc1cc(C(=O)NN)c2ccccc2n1	1595116	ICOKTTRTUMDRFR-UHFFFAOYSA-N	215.256	1.401	50	40	BDGB	
CCCCCOc1ccc(C(=O)NN)cc1	3138531	ZJYYDMKIBGAUCA-UHFFFAOYSA-N	222.288	1.859	50	40	BDGB	
CN(Cc1nc2ccccc2[nH]1)C(=O)CCl	82257366	AXHPGPRXUNMQKS-UHFFFAOYSA-N	237.690	1.760	50	40	BDGB	
CCCn1c(Cc2ccco2)ccc1C(=O)NN	226031280	CKEFQJWHALGGQK-UHFFFAOYSA-N	247.298	1.685	50	40	BDGB	
CCOC(=O)/C(C#N)=C/Nc1nccs1	100100538	OVVYESNBOFMQOL-VOTSOKGWSA-N	223.257	1.526	50	40	BDGB	
Cc1ccc([C@@H]2NC(=O)OC2=O)cc1C	1772714756	QSVBHPRGVOQNJJ-VIFPVBQESA-N	205.213	1.611	50	40	BDGB	
NNC(=O)c1cc2ccc(Cl)cc2[nH]1	19735956	QXTBMURGEGGHCU-UHFFFAOYSA-N	209.636	1.425	50	40	BDGB	
O=C(N/N=C/c1cccc(F)c1)c1cccnc1	231130	DGFGLZLZLZPPQC-LZYBPNLTSA-N	243.241	1.985	50	40	BDGB	
C[C@H](O)CCOCCCBr	1584909	PRVZKLVSNNERDA-ZETCQYMHSA-N	211.099	1.559	50	40	BDGB	
CC(C)Cc1nnc(NC(=O)CCl)o1	57218530	AVEOYIGQYANNKA-UHFFFAOYSA-N	217.656	1.445	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	26422936	OTOXDWLCODITIJ-SSDOTTSWSA-N	241.649	1.944	50	40	BDGB	
COC(=O)[C@@H]1[C@@H]2C[C@@H](Br)[C@@H]1CC2=O	225629687	HJVJEVYKBDLXPL-FJDLHZNMSA-N	247.088	1.148	50	40	BDGB	
Cc1nc(C(=O)NN)c2ccccc2c1C	225747582	GTNGZTXXWPPSBR-UHFFFAOYSA-N	215.256	1.455	50	40	BDGB	
OCc1cncc(CBr)c1	143647381	BJHIWUFAXQVWHJ-UHFFFAOYSA-N	202.051	1.469	50	40	BDGB	
N#Cc1cc(-c2noc(CCl)n2)ccn1	96032022	XFGTZGGONFQBPU-UHFFFAOYSA-N	220.619	1.742	50	40	BDGB	
Cc1ncsc1CNC(=O)CCl	70837255	NEGNGSXIGZGRSF-UHFFFAOYSA-N	204.682	1.307	50	40	BDGB	
O=C(NNC(=O)C1CCCCC1)c1ccncc1	277850	GMZZWLJZGRVSAH-UHFFFAOYSA-N	247.298	1.423	50	40	BDGB	
Cc1n[nH]c2c1/C(=N/NC(N)=O)CC(C)(C)C2	100151853	YDQFJLDXYDCFDU-OVCLIPMQSA-N	235.291	1.063	50	40	BDGB	
CN(C1CC1)[C@H]1CCCC[C@H]1NC(=O)CCl	101676936	AMOBYPIAMRDTSV-MNOVXSKESA-N	244.766	1.747	50	40	BDGB	
COc1ccc(/C=N\NC(=O)C(C)C)cc1	36011661	OWFMTVHGCPBJLI-JYRVWZFOSA-N	220.272	1.801	50	40	BDGB	
COc1cc(NC(=O)CCl)ccc1[N+](=O)[O-]	408554304	DBJVOGHOONNETD-UHFFFAOYSA-N	244.634	1.781	50	40	BDGB	
O=C(Cl)COc1ccc(-n2cnnc2)cc1	30714839	AHJSNCHEJPFTJR-UHFFFAOYSA-N	237.646	1.412	50	40	BDGB	
NC(=O)NN=Cc1cccc2[nH]ccc12	257352381	KXAGDCVDUARJBU-UHFFFAOYSA-N	202.217	1.170	50	40	BDGB	
COC(=O)[C@H](N=C=O)c1ccc(F)cc1	16158557	XNVXRNJSAZPBRY-SECBINFHSA-N	209.176	1.376	50	40	BDGB	
CC(C)=NNC(=O)CC(=O)NC1CCCCC1	5480790	UAQHZANRJUAANK-UHFFFAOYSA-N	239.319	1.337	50	40	BDGB	
CCc1ccc(C(=O)C/C=N/NC(N)=O)cc1	16161473	IEYPYZFOBPQCIF-RIYZIHGNSA-N	233.271	1.476	50	40	BDGB	
COc1ccccc1/C=C(/C#N)C(=O)N(C)C	59333585	RAWVGTSFQLMYTB-FLIBITNWSA-N	230.267	1.690	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1	408852050	QVCOSFJCWGRSIJ-ALCCZGGFSA-N	235.199	1.183	50	40	BDGB	
C[C@H](Cl)C(=O)NCCn1cccc1	41709533	HDMJMZYNGVAGMT-QMMMGPOBSA-N	200.669	1.232	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4[C@H]5C=C[C@H](C5)[C@H]43)[C@@H]12	104063055	CKKGPNARILRMPQ-ORQQRMGGSA-N	230.263	1.390	50	40	BDGB	
O=C1CCC/C(=N/NC(=O)c2ccc(O)cc2)C1	103456936	LCQITYAKLKKGEV-UVTDQMKNSA-N	246.266	1.621	50	40	BDGB	
COC(=O)[C@@H]1[C@H](C(=O)CCl)C1(C)C	39055379	LAIZJMBDBAKCOZ-BQBZGAKWSA-N	204.653	1.240	50	40	BDGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1CCCO1	4685351	UKWKHLWEGASOQI-KYJZABPNSA-N	236.246	1.455	50	40	BDGB	
C/C=C(/C)C(=O)N/N=C\c1cccnc1	31769567	NWCFRBCENZSHIF-MBSJOBDQSA-N	203.245	1.498	50	40	BDGB	
CN(CCBr)CCBr	38148128	WJZGRGFVSRMXQX-UHFFFAOYSA-N	244.958	1.708	50	40	BDGB	
CNC(=O)[C@H]1CCCC[C@H]1Br	1578057	JESFBRDANDJQKC-NKWVEPMBSA-N	220.110	1.686	50	40	BDGB	
CC(=O)N/N=C\c1ccc(N2CCCC2)cc1	408844000	BJIGMLHHCNEPIC-UVTDQMKNSA-N	231.299	1.757	50	40	BDGB	
C[C@@H](Br)[C@H](NN)c1ccccc1	199539387	ZJCPBALQKHRVFL-APPZFPTMSA-N	229.121	1.974	50	40	BDGB	
CC(C)C(=O)N/N=C1\C(=O)Nc2ccccc21	3161177	QRCHOLXKSAOBQH-UHFFFAOYSA-N	231.255	1.115	50	40	BDGB	
BrC[C@H]1C[n+]2ccccc2O1	16448887	ZVHXYQBJYPPGRL-ZETCQYMHSA-N	215.070	1.130	50	40	BDGB	
CCSc1ncc(C=C(C#N)C#N)n1C	1404931	WCTFKCYSGIFFSY-UHFFFAOYSA-N	218.285	1.963	50	40	BDGB	
C[C@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CBr	100319397	YCFGJEUKLHTOAS-JMOVZRAMSA-N	245.116	1.956	50	40	BDGB	
O=C1CC(c2cccc(F)c2)CC(=O)O1	100028167	FGOGUORRCGNRPY-UHFFFAOYSA-N	208.188	1.773	50	40	BDGB	
COC(=O)c1ccc(/C=N\NC(=O)C(C)C)cc1	408760722	WDJQDMVYXUYVPN-ZSOIEALJSA-N	248.282	1.579	50	40	BDGB	
O=C1[C@H](Br)CCN1c1cccnc1	39171058	DJBFZMOHVQWOSD-MRVPVSSYSA-N	241.088	1.582	50	40	BDGB	
OB(O)c1cc(-c2ccccc2)cs1	169968634	SSHJHAPMTBLTLN-UHFFFAOYSA-N	204.059	1.095	50	40	BDGB	
O=C(Cl)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Cl	100245192	KANQIAARVSWKKG-VZFHVOOUSA-N	219.067	1.956	50	40	BDGB	
COc1ccc(NC(=S)NNC(C)=O)cc1	6511095	VCLUTGOSACJOJE-UHFFFAOYSA-N	239.300	1.033	50	40	BDGB	
CCOc1ccc(CCCC(=O)NN)cc1	4679877	CWGBESFAMNLBMW-UHFFFAOYSA-N	222.288	1.398	50	40	BDGB	
NNC(=O)c1cccc2nc3ccccc3nc12	32237155	HHMALMVKWZOZLO-UHFFFAOYSA-N	238.250	1.387	50	40	BDGB	
COc1ccc2c(c1OC)C(=O)OC2=O	85968735	FPYMWUSMIRXSEA-UHFFFAOYSA-N	208.169	1.014	50	40	BDGB	
COc1ccc(/C=N/NC(C)=O)c(OC)c1C	409009277	CTXLZLWDFCIZKW-NTUHNPAUSA-N	236.271	1.482	50	40	BDGB	
[C-]#[N+][C@@H](Cc1ccc(F)cc1)C(=O)OC	95698005	FSMZZRNWEMYWLY-JTQLQIEISA-N	207.204	1.829	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc(C)cc1C	16957948	BBMCJKHHVSYPSO-UKTHLTGXSA-N	205.261	1.696	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	147898	QGQCYDYTLBYYLI-YRNVUSSQSA-N	230.267	1.824	50	40	BDGB	
CC(C)OC(=O)/C(C#N)=C\c1cccn1C	4646502	OJICYAKWTUCTDC-YFHOEESVSA-N	218.256	1.884	50	40	BDGB	
CCCn1nc(C(=O)OC)cc1C(=O)Cl	408717687	OCYLVKFPPOUTAM-UHFFFAOYSA-N	230.651	1.459	50	40	BDGB	
ClCc1cc(Cl)n2ncnc2n1	196290497	KHKPJTGDDKFYSL-UHFFFAOYSA-N	203.032	1.517	50	40	BDGB	
O[C@H](CBr)[C@H]1CCCOC1	242688585	VTWVFVJCRIADFI-NKWVEPMBSA-N	209.083	1.169	50	40	BDGB	
CCC[C@H](Oc1ccccc1)C(=O)NN	7262863	FMKOMXNEUCBVAE-JTQLQIEISA-N	208.261	1.224	50	40	BDGB	
NC(=O)N/N=C/c1cc2c(cc1Cl)OCO2	565979	PYVVJVDKAAFZAH-KGVSQERTSA-N	241.634	1.071	50	40	BDGB	
CC(=O)N/N=C/c1cccn1-c1ccc(O)cc1	409013808	VVUPOZWCSNJVIZ-NTEUORMPSA-N	243.266	1.653	50	40	BDGB	
C[C@H]1Sc2nc(O)sc2C=C1C=O	32597927	BLZIKNPBRRKUMQ-SCSAIBSYSA-N	213.283	1.925	50	40	BDGB	
O=C(CCl)Nc1ncc([N+](=O)[O-])s1	3885313	GCGAZNDDCWOASE-UHFFFAOYSA-N	221.625	1.229	50	40	BDGB	in-vitro
O=C(CCl)N1[C@H]2CC[C@@H]1c1snnc1C2	14000542	SSNZTGQSRRFBID-CAHLUQPWSA-N	243.719	1.365	50	40	BDGB	
COc1cccc(C2=CC(=O)OC2=O)c1	103710632	MVJCWFAIVNKMSO-UHFFFAOYSA-N	204.181	1.162	50	40	BDGB	
CC(=O)NNC(=O)Nc1cccc(C(C)C)c1	95975917	ULGRIUMHTGEHEP-UHFFFAOYSA-N	235.287	1.983	50	40	BDGB	
O=C(N/N=C\c1ccco1)c1cccnc1	5182103	IROWLQNITQUHLB-JYRVWZFOSA-N	215.212	1.439	50	40	BDGB	
CNC[C@H](Br)c1ccc(O)c(O)c1	1593017	IUENRFZUCOROAJ-ZETCQYMHSA-N	246.104	1.753	50	40	BDGB	
CCC(=O)NN(C(C)=O)c1ccccc1	1692079	YERDFCCNGUXZHM-UHFFFAOYSA-N	206.245	1.481	50	40	BDGB	
CCOC(=O)c1cc(C)nc(CCl)n1	82164579	SUFUMXCNBOXKIJ-UHFFFAOYSA-N	214.652	1.701	50	40	BDGB	
COC1=C(C#N)[C@@H](c2ccccc2)CC(N)=N1	16942142	JEBJBKBQCYMEDQ-SNVBAGLBSA-N	227.267	1.913	50	40	BDGB	
Cc1ccc(S(=O)(=O)SCCN)cc1	1714519	NSLDNYNNGHXEPN-UHFFFAOYSA-N	231.342	1.376	50	40	BDGB	
CO/C(N)=C(C#N)/N=C/c1ccc(C#N)cc1	18061305	NACMDKNMKUXFJW-AXLUTBEVSA-N	226.239	1.275	50	40	BDGB	
O=C(Cl)Cc1ccc(-n2cnnc2)cc1	70461738	HGPGLVBHYYAADN-UHFFFAOYSA-N	221.647	1.575	50	40	BDGB	
COc1ccc2ccc(OC)c(C(=O)NN)c2c1	216825660	WGPCLKDCBIUWTG-UHFFFAOYSA-N	246.266	1.461	50	40	BDGB	
CN1CC[C@H](I)C1	79436914	JRYHSOYEKJWMIB-YFKPBYRVSA-N	211.046	1.126	50	40	BDGB	
Cc1cc(C)cc(-n2cccc2C(=O)NN)c1	223725006	KMKJBOIRIUADIE-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
COC(=O)C12CCC(N=C=O)(CC1)CC2	98210094	ZAYSEYYGBGGDJH-UHFFFAOYSA-N	209.245	1.588	50	40	BDGB	
NC(=O)c1cccnc1CBr	98213339	LQVLPOWIFAVDOB-UHFFFAOYSA-N	215.050	1.075	50	40	BDGB	
O=C(CC(C1CC1)C1CC1)NNC(=O)C1CC1	49167960	IQAFOJSVQBQYPZ-UHFFFAOYSA-N	236.315	1.370	50	40	BDGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=N\NC(N)=O	100923224	UKSZPQBTXXUTND-AMLHGNRXSA-N	223.276	1.036	50	40	BDGB	
Cc1cccc(/C=N/NC(=O)c2ccco2)n1	59474488	LRUWYHNRRYEQME-MDWZMJQESA-N	229.239	1.747	50	40	BDGB	
C/C(=N/C(=O)NN)c1ccc(Cl)cc1	104157047	AIYQGGZBJJHOTP-SDQBBNPISA-N	211.652	1.732	50	40	BDGB	
CC(C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	59515733	YOCNEPNVTNMVKP-UHFFFAOYSA-N	247.298	1.754	50	40	BDGB	
O=C(Cl)CN1C(=O)COc2ccccc21	13609116	VRUBEMLWKGFLOY-UHFFFAOYSA-N	225.631	1.177	50	40	BDGB	
N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1O	16384153	YNMOCTHODNKEDW-UHFFFAOYSA-N	215.168	1.731	50	40	BDGB	
O=C(NNC(=O)[C@H]1CC=CCC1)C1CCCC1	40512027	RFASIOKYWTWQJO-JTQLQIEISA-N	236.315	1.680	50	40	BDGB	
CC(=O)N1CC[C@@H](I)C1	79436811	AJCWBWLVIQIHHI-ZCFIWIBFSA-N	239.056	1.042	50	40	BDGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccoc1	61500789	HAANCCDLRSMOHN-SECBINFHSA-N	234.255	1.397	50	40	BDGB	
O=C(O)c1csc(C(=O)CCl)c1	36379881	SVLBUVOIYMNXIP-UHFFFAOYSA-N	204.634	1.868	50	40	BDGB	in-vitro
O=C(NNC(=O)C1CC1)c1cc(F)cc(F)c1	15793807	QFKICBASWHZECF-UHFFFAOYSA-N	240.209	1.136	50	40	BDGB	
O=C(N/N=C\C=C\c1ccco1)c1cnccn1	15979520	LYJQREZLYZWSAY-JPAWQYAOSA-N	242.238	1.499	50	40	BDGB	
CC(C)(C)[C@]1(F)OC(N)=C(C#N)C1=C(C#N)C#N	100252788	PURWANMJENJSAB-GFCCVEGCSA-N	246.245	1.766	50	40	BDGB	
Cc1noc2c1[C@H](c1ccco1)C(C#N)=C(N)O2	5792696	YJCRTJYMUWNYHY-JTQLQIEISA-N	243.222	1.794	50	40	BDGB	
CCOC(=O)NNC(=O)c1ccc(C)cc1	6450973	GMZXSIXIAAAONU-UHFFFAOYSA-N	222.244	1.386	50	40	BDGB	
Cc1nn(CCC#N)cc1C=C(C#N)C#N	3168728	XRBDMOMNHHNSQY-UHFFFAOYSA-N	211.228	1.536	50	40	BDGB	
O=C1OC(=O)[C@H]2C[C@@H](Cl)[C@@H](Cl)C[C@H]12	104146840	WPQLFXWNCAIUOG-OMMKOOBNSA-N	223.055	1.311	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccccc1O	100057008	XZQCUPIUYYMWIB-MDWZMJQESA-N	218.256	1.642	50	40	BDGB	
N#C/C(=C\c1cccs1)C(=O)N/C=N/O	15956938	JGNPREHKHVOHRD-QPJJXVBHSA-N	221.241	1.189	50	40	BDGB	
C[C@@H](Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	8183733	KAVUXOBVQPLOTK-RXMQYKEDSA-N	239.662	1.422	50	40	BDGB	
CS(=O)(=O)[C@@H](Cl)C(=O)c1cccc(N)c1	96517762	OPZRZXHRBVZKMO-SECBINFHSA-N	247.703	1.061	50	40	BDGB	
CC(C)(C)SCCNC(=O)CCl	388505268	OGSUVARGRYPSJY-UHFFFAOYSA-N	209.742	1.873	50	40	BDGB	
C/C(=N/NC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1	511131	QQHDPEGTZJVUOE-JYRVWZFOSA-N	247.254	1.845	50	40	BDGB	
O=C(O)[C@H](Br)c1cccnc1	67801559	XNFYGOWELTWTOT-ZCFIWIBFSA-N	216.034	1.602	50	40	BDGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1	19593527	WCYOGTRVPAABGO-UHFFFAOYSA-N	210.240	1.697	50	40	BDGB	
CC[C@@H]1S[C@H](C)C/C(=N/NC(N)=O)[C@@H]1C	13774625	CXEKRAUJXURPPU-MXEQBFMDSA-N	229.349	1.951	50	40	BDGB	
COc1ccc(/C(C)=N\NC(N)=O)cc1	5412222	BDWNPKPUKNYIOF-GHXNOFRVSA-N	207.233	1.088	50	40	BDGB	
C[C@H](Cl)c1no[n+]([O-])c1[C@H](C)Cl	55137	NXLKVKNSIJLHTJ-IMJSIDKUSA-N	211.048	1.908	50	40	BDGB	
Cc1ccc(CNC(=O)CCl)s1	48207276	PDPMCFVSTNUZEP-UHFFFAOYSA-N	203.694	1.912	50	40	BDGB	in-vitro
N#CC(C#N)=C(N)COc1ccc([N+](=O)[O-])cc1	15841733	VGLUZPSJOBDISY-UHFFFAOYSA-N	244.210	1.234	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1	310464	NVGHBKFQUKOZPJ-UHFFFAOYSA-N	246.188	1.318	50	40	BDGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccco1	522962	OWOMXYXJAPPOCH-MDWZMJQESA-N	230.223	1.749	50	40	BDGB	
O=C(NN=C(CCl)CCl)c1ccncc1	100244265	OLDMWXRZESETPY-UHFFFAOYSA-N	246.097	1.645	50	40	BDGB	
O=C1OC(=O)[C@@H]2Cc3ccccc3C[C@H]12	68568728	DRWNBWIQWWUIQM-AOOOYVTPSA-N	202.209	1.101	50	40	BDGB	
O=S1(=O)C[C@H](Cl)[C@H](c2ccccc2)C1	217423305	IWUFLETVBZLURO-UWVGGRQHSA-N	230.716	1.806	50	40	BDGB	
CC(C)Oc1ccc(/C=C/C(=O)NN)cc1	193371329	OPAWLZPOJNLBJC-VMPITWQZSA-N	220.272	1.477	50	40	BDGB	
N/C(=N\NC(=O)c1ccco1)c1ccccc1O	95951679	WEQVGXIJXVYANB-UHFFFAOYSA-N	245.238	1.036	50	40	BDGB	
Cc1ccc(N2C(=O)C[C@@H](Cl)C2=O)cc1	100746727	GNBFROURUPHMGY-SECBINFHSA-N	223.659	1.866	50	40	BDGB	
O=C(Cl)c1ccc(C(=O)Cl)nc1	59230782	RWEWEOKGGLQXPR-UHFFFAOYSA-N	204.012	1.840	50	40	BDGB	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)on1	71017209	WYURTCUEOZZKTA-UHFFFAOYSA-N	241.247	1.153	50	40	BDGB	
CC/C(=N\NC(C)=O)c1ccc2c(c1)OCCO2	408719649	IWNDYHBEPJRKIK-RVDMUPIBSA-N	248.282	1.708	50	40	BDGB	
O=C(NNC1CCCC1)c1ccccc1	137313789	VQWFVRBFPLABCH-UHFFFAOYSA-N	204.273	1.864	50	40	BDGB	
O=C(CCC(=O)OCCCl)OCCCl	1682258	AOAPSSUUVWPWIA-UHFFFAOYSA-N	243.086	1.331	50	40	BDGB	in-vitro
O=S1(=O)C=C(Cl)[C@@H](Br)C1	4280647	ZZGHEDGOLOYVHL-VKHMYHEASA-N	231.498	1.259	50	40	BDGB	
O=C(O)C12CC(CBr)(C1)C2	2088617607	NXRRNEOXMJIEBD-UHFFFAOYSA-N	205.051	1.636	50	40	BDGB	
O=C(NNc1cnccn1)Nc1ccccc1F	40497836	JOPAYHJLVPHWGX-UHFFFAOYSA-N	247.233	1.764	50	40	BDGB	
COc1ccc(/C(C)=N\NC(N)=O)cc1OC	32561939	JRDJZNDBKMGRFT-QPEQYQDCSA-N	237.259	1.096	50	40	BDGB	
CC1(C)[C@@H]2CC[C@@]1(CBr)C(=O)C2=O	2334470	XJXZFLDQSFSDQK-LHLIQPBNSA-N	245.116	1.956	50	40	BDGB	
CCOC(=O)/C(C#N)=C(/O)c1ccc(N)cc1	102577116	QDUKJUJPEYIKER-ZHACJKMWSA-N	232.239	1.625	50	40	BDGB	
C[C@H](N)C(=O)N/N=C/c1ccc2ncccc2c1	5029715	DIFAYCHFGBGKJG-VKPPLCHCSA-N	242.282	1.032	50	40	BDGB	
CSc1c(B(O)O)ccc(C)c1Cl	642814279	CDAQIJCJAQXBKW-UHFFFAOYSA-N	216.498	1.050	50	40	BDGB	
CC(=O)N1CC[C@H](I)C1	79436809	AJCWBWLVIQIHHI-LURJTMIESA-N	239.056	1.042	50	40	BDGB	
C[C@H]1[C@@H](c2ccccc2)NCC[C@]1(O)C#N	102596580	XGKYKJBSKOHGSD-DRZSPHRISA-N	216.284	1.612	50	40	BDGB	
CC(C)(C[N+](=O)[O-])NNC(=O)OC(C)(C)C	95836483	QMYQSGAEQQDPBA-UHFFFAOYSA-N	233.268	1.071	50	40	BDGB	in-vitro
COC(=O)N/N=C\c1ccc(NC(C)=O)cc1	31723682	KRDYZSKFHVNJPV-GHXNOFRVSA-N	235.243	1.335	50	40	BDGB	
CSc1nccnc1CNC(=O)CCl	79435465	FCMRWSJDQYYFPV-UHFFFAOYSA-N	231.708	1.054	50	40	BDGB	
CS(=O)(=O)c1cccc(CCl)c1	114437338	BPHMFCASZHCODQ-UHFFFAOYSA-N	204.678	1.829	50	40	BDGB	in-vitro
O=C(NNc1ncccn1)c1ccccc1Cl	43731113	BQIICFDHSUKDNJ-UHFFFAOYSA-N	248.673	1.887	50	40	BDGB	
O=C(CCl)Nc1nnc(C2CC2)s1	4511101	AMSLGMOBQAKJNR-UHFFFAOYSA-N	217.681	1.593	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1ccc(F)cc1	9219177	NSKPILFVRWTJQJ-UHFFFAOYSA-N	224.235	1.243	50	40	BDGB	
NNC(=O)CCSCc1cccc(F)c1	16971090	MJFYKWJUMCVITE-UHFFFAOYSA-N	228.292	1.439	50	40	BDGB	
CCC[C@@H](C(=O)NN)N1CCCC[C@@H]1C	22123583	NWRJGDWUGCHPSY-UWVGGRQHSA-N	213.325	1.019	50	40	BDGB	
CC1=CC(C)(C)C(C#N)(C#N)C(N)=C1C#N	4530156	OTYOEOKUIGHOGA-UHFFFAOYSA-N	212.256	1.742	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	36011648	SIPOYKIAGXMWSH-GHXNOFRVSA-N	235.243	1.701	50	40	BDGB	
NC(=O)c1ccc(CCl)c([N+](=O)[O-])c1	4219182	DLPVZDNKYMHDCI-UHFFFAOYSA-N	214.608	1.433	50	40	BDGB	in-vitro
CCc1c(C)nn(C(=O)/C(C#N)=C\N(C)C)c1C	100911132	NAHFBGLGGMXDAP-FLIBITNWSA-N	246.314	1.672	50	40	BDGB	
CC(C)C[C@@H](NC(=O)C(Cl)Cl)C(=O)O	104334755	LGALGPUCFQPJLJ-RXMQYKEDSA-N	242.102	1.406	50	40	BDGB	
CCOC(=O)c1cnc([C@@H](C)O)nc1CCl	72220965	XSMKXKGNMPIKEZ-ZCFIWIBFSA-N	244.678	1.445	50	40	BDGB	
CCN(C(=O)CCl)[C@@H]1CCCN(C)C1	79406541	FNXBMBQFCGEHMF-SECBINFHSA-N	218.728	1.168	50	40	BDGB	
O=C(O)c1cccc2nc(CCl)[nH]c12	76041048	SZTOONPCOSQBCL-UHFFFAOYSA-N	210.620	2.000	50	40	BDGB	
O=C(O)c1c[nH]nc1C1CC(Cl)C1	685937849	WVOMWASSBSITAT-UHFFFAOYSA-N	200.625	1.593	50	40	BDGB	
CC(C)(C)c1cc(NC=C(C=O)C=O)on1	1738810670	PAFLNWDBCFIQLR-UHFFFAOYSA-N	222.244	1.666	50	40	BDGB	
N#CC(C#N)=C1NC[C@H](c2ccccc2)O1	239563099	WKBCLLIFAIYLPC-LLVKDONJSA-N	211.224	1.606	50	40	BDGB	
CC1(C)C(C#N)=C2SCCN2C(=O)[C@@H]1C#N	32873	MELRPBAXTKGVPH-ZETCQYMHSA-N	233.296	1.477	50	40	BDGB	
C[C@@H](Cl)c1no[n+]([O-])c1[C@@H](C)Cl	55136	NXLKVKNSIJLHTJ-QWWZWVQMSA-N	211.048	1.908	50	40	BDGB	
Br[C@H]1CC[C@@H](Br)NC1	100057980	HCTZZEWTUFVJMV-WHFBIAKZSA-N	242.942	1.854	50	40	BDGB	
O=S(=O)(O)c1ccc(F)cc1CCCl	199759287	RVVZFEQAGAZGBB-UHFFFAOYSA-N	238.667	1.854	50	40	BDGB	
Cc1sc(/C=C(/C#N)C(N)=O)cc1[N+](=O)[O-]	12372396	VALVRVLZYCVQEP-KXFIGUGUSA-N	237.240	1.357	50	40	BDGB	
COc1cc(/C=C\C=O)cc(OC)c1OC	17104415	XDSHNNRBLSBDAP-PLNGDYQASA-N	222.240	1.925	50	40	BDGB	
CC(/C=C\c1ccc2c(c1)OCO2)=N\NC(N)=O	17140402	OERIEMCNIQZZKL-ZHDIWNJTSA-N	247.254	1.473	50	40	BDGB	
O=C(Cl)c1ccc(N2C(=O)C=CC2=O)cc1	2521300	BCHKIOWPKLJEKK-UHFFFAOYSA-N	235.626	1.495	50	40	BDGB	
COc1c(/C=C/C=O)cc2c(c1OC)OCO2	1587154	UQBPCDWQJZVCPU-ONEGZZNKSA-N	236.223	1.645	50	40	BDGB	
COc1cccc(OC)c1/C=C(\C#N)C(N)=O	408971456	OQDYUCRHNHQJIZ-SOFGYWHQSA-N	232.239	1.096	50	40	BDGB	
N#Cc1ccccc1CNC(=O)CCl	79418642	PHWKSCAFSSNHCL-UHFFFAOYSA-N	208.648	1.413	50	40	BDGB	
CS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccccc1	96518830	CWBNAKJPRGFNKX-IUCAKERBSA-N	234.704	1.330	50	40	BDGB	
CC(=O)CCN(Cc1ccccc1)NC(C)=O	5291080	DLPFRWREDNLDQJ-UHFFFAOYSA-N	234.299	1.519	50	40	BDGB	
Cc1occc1C(=O)N/N=C1/CCSC1	4550868	OADJXSNAKAFOFE-FLIBITNWSA-N	224.285	1.811	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/CN2CCC1CC2	19801773	WRCZZMYKSMOYBK-KHPPLWFESA-N	220.272	1.095	50	40	BDGB	
CC(C)n1ccc(NC(=O)CBr)n1	96524108	GQRCBBQIBXMEBH-UHFFFAOYSA-N	246.108	1.797	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)[C@@H](O)C(C)(C)C	96518979	FDDFZUFTPPNSOT-RNFRBKRXSA-N	228.741	1.393	50	40	BDGB	
CO[C@H]1O[C@@H](CSC#N)[C@H]2OC(C)(C)O[C@@H]12	5049482	GDWGAWUMBAEQRK-KDXUFGMBSA-N	245.300	1.092	50	40	BDGB	
C/C(=N/NC(=O)C(C)C)c1ccc(O)cc1	18194453	QLJFEBDXGHWSDW-LCYFTJDESA-N	220.272	1.888	50	40	BDGB	
CC(=O)Nc1cc(C(=O)CCl)ccc1O	4218723	UXSYEGOILSUYOU-UHFFFAOYSA-N	227.647	1.772	50	40	BDGB	in-vitro
CCCCCCC(=O)NNC(=S)NC	6782966	GSXSMNCIUXCSEM-UHFFFAOYSA-N	217.338	1.082	50	40	BDGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1C	408726619	OVLCIDXSRPHJDJ-BJMVGYQFSA-N	216.240	1.396	50	40	BDGB	
O=C(C1CC1)[C@@H](Cl)C(=O)C(F)(F)F	100496767	OSGVVEFMWJWPBV-SCSAIBSYSA-N	214.570	1.704	50	40	BDGB	
CCCCCCC(=O)NNC(=O)OC	1682423	XFVMXBKZQJRMAZ-UHFFFAOYSA-N	202.254	1.344	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(C)o1	3261455	HMBRZJREPPSCPJ-JXMROGBWSA-N	216.240	1.797	50	40	BDGB	
C/C(=N\NC(=O)c1ccncc1)c1cccnc1	4737382	UDMOGPYNFLJEGT-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
CC(C)N(C[C@H]1CCN(C)C1)C(=O)CCl	79406627	XPEXAPFQNXWOQC-JTQLQIEISA-N	232.755	1.414	50	40	BDGB	
CCn1c(CC(C)C)ccc1C(=O)NN	226022711	JDZJHUGCFARTBK-UHFFFAOYSA-N	209.293	1.310	50	40	BDGB	
Cc1ccc(-n2cccc2C(=O)NN)cc1	223723220	UBMMBDVTHHMDKF-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
C[C@H]1[C@@H](Br)C=CS1(=O)=O	12173605	YQFCYPJLLJAPJV-WHFBIAKZSA-N	211.080	1.081	50	40	BDGB	
O=C(O)[C@@H]1CC[C@@H](I)C1	168681960	GZQHEJRBBBSWBA-RFZPGFLSSA-N	240.040	1.675	50	40	BDGB	
C/C(=N\NC(=O)c1ccn(C)n1)c1ccco1	12362556	CLOJSIRZNDJBSW-XYOKQWHBSA-N	232.243	1.167	50	40	BDGB	
CC(=O)NCc1ccc(C(=O)[C@@H](C)Cl)o1	7814936	USJXRMSQAUJOMB-ZCFIWIBFSA-N	229.663	1.726	50	40	BDGB	in-vitro
CCn1c(C)cc(/C=C(/C#N)C(=O)NC)c1C	255018304	MCJIGSFAKDWCIQ-GHXNOFRVSA-N	231.299	1.778	50	40	BDGB	
N#CC(C#N)=CNC[C@H]1COc2ccccc2O1	13142915	UGYJKCFMGLCKGY-NSHDSACASA-N	241.250	1.347	50	40	BDGB	
O=[N+]([O-])c1ccc([C@H](O)CCl)cc1	28347	ZUJVGRUIXVTXOX-MRVPVSSYSA-N	201.609	1.867	50	40	BDGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1N	95626603	LSJXPESTPINVSW-CMDGGOBGSA-N	231.255	1.651	50	40	BDGB	
CC(C)N(CC1CCN(C)CC1)C(=O)CCl	79406666	JVLYCWQLBZZKAD-UHFFFAOYSA-N	246.782	1.804	50	40	BDGB	
Cc1cc(C)n2nc(CBr)nc2n1	72416168	JBCQGKLEWLPHSC-UHFFFAOYSA-N	241.092	1.636	50	40	BDGB	
O=C1OC(=O)c2ccc(O)c3cccc1c23	100958792	BFKXHILYGIQGCB-UHFFFAOYSA-N	214.176	1.856	50	40	BDGB	
FC(F)(F)[C@H](Br)COC[C@@H]1CO1	1083807919	CLVRTYMKWAIHGQ-RFZPGFLSSA-N	249.026	1.728	50	40	BDGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)O)cc1	16194133	FBYVGFOTPMGABB-UXBLZVDNSA-N	231.207	1.465	50	40	BDGB	
CC(C)[C@H](NC(=O)C(Cl)Cl)C(=O)O	1608637	NOZWXCQXMLWKTN-BYPYZUCNSA-N	228.075	1.016	50	40	BDGB	
CC(=O)[C@@H]1C(=O)CC(C)(C)[C@@H](Cl)C1=O	100001595	BHVFIYRNSPTPPG-APPZFPTMSA-N	216.664	1.367	50	40	BDGB	
C[C@@H](Br)C(=O)NCC1CC1	72207562	PTIUJJLYSVIIJW-RXMQYKEDSA-N	206.083	1.296	50	40	BDGB	
O=C1N[C@H](CCc2ccccc2)C(=O)O1	238673059	VQPIAMIUYBADAZ-SECBINFHSA-N	205.213	1.254	50	40	BDGB	
O=[N+]([O-])c1ccc([S@@](=O)CCl)cc1	5328597	VZKXFNMXBJWQKC-CYBMUJFWSA-N	219.649	1.899	50	40	BDGB	
C=CCOc1ccccc1C(=O)NNC(C)=O	8555218	KGNDDSWZRQOHSA-UHFFFAOYSA-N	234.255	1.032	50	40	BDGB	
Cc1cc2c(c(=O)o1)[C@H](C(C)C)C(C#N)=C(N)O2	488782	LQVIEQQCGZUCFR-SNVBAGLBSA-N	246.266	1.774	50	40	BDGB	
C/C(CSc1ccccc1)=N\NC(N)=O	4990946	QPQWXUUEBPLSAL-XYOKQWHBSA-N	223.301	1.823	50	40	BDGB	
C[C@H]1[C@H](c2ccccc2)NCC[C@]1(O)C#N	102596577	XGKYKJBSKOHGSD-UHTWSYAYSA-N	216.284	1.612	50	40	BDGB	
O=C1[C@@H](Br)CCN1c1ncco1	67802414	UMEKWGFIXKDCGJ-YFKPBYRVSA-N	231.049	1.175	50	40	BDGB	
COc1ccc2[nH]nc(C(=O)Cl)c2c1	199796753	QJPDHVYGZRRZLJ-UHFFFAOYSA-N	210.620	1.951	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1ccccc1[N+](=O)[O-]	91302305	GWSCSOMMIYMXOK-IOEGRWEBSA-N	241.210	1.231	50	40	BDGB	
O=C1N[C@H](c2cccc(Cl)c2)C(=O)O1	1772714746	PRUDSSXONAMWEX-SSDOTTSWSA-N	211.604	1.648	50	40	BDGB	
CCC[C@@H](CCl)CC(=O)N[C@@H](CC)C(N)=O	1775937615	GSKKODFCGSQPLP-BDAKNGLRSA-N	248.754	1.412	50	40	BDGB	
Cc1nonc1C(=O)N/N=C/c1ccccc1F	58466	ILBWLFWVRGNOIM-AWNIVKPZSA-N	248.217	1.281	50	40	BDGB	
COC(=O)/C(C#N)=C/c1cc(OC)cc(OC)c1	6858286	ZKHOXTODPQHRSK-ONNFQVAWSA-N	247.250	1.784	50	40	BDGB	biogenic,in-vitro
CC(=O)N/N=C1\CCCC[C@@H]1CCC#N	408720193	VQTNFGBRZXTCSM-PIYPRNMZSA-N	207.277	1.972	50	40	BDGB	
CC(=O)NNC1=NC(C)(C)Cc2ccccc21	4866919	JMEIHHZWFBCPKG-UHFFFAOYSA-N	231.299	1.409	50	40	BDGB	
NC(=O)[C@H](Br)Cc1ccccc1	67300053	BJESFDVRFIKQGR-MRVPVSSYSA-N	228.089	1.478	50	40	BDGB	in-vitro
CCO[C@@H]1OC(C#N)=CC[C@H]1Br	4267769	FVEVVLHSCTXKGH-HTQZYQBOSA-N	232.077	1.940	50	40	BDGB	biogenic
COC(=O)C(C)(C)CI	34551090	CMXCNXJZKXRQNL-UHFFFAOYSA-N	242.056	1.621	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(c2cccnc2)C1	45953120	DWAGXLWWXDHYJG-SSDOTTSWSA-N	224.647	1.200	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C\c1ccccc1[N+](=O)[O-]	91302304	GWSCSOMMIYMXOK-ZGPFONCUSA-N	241.210	1.231	50	40	BDGB	
CCCC(=O)Nc1ccc(C(=O)NN)cc1	2643598	RJKMRXKKRPJLJK-UHFFFAOYSA-N	221.260	1.029	50	40	BDGB	in-vitro
O=[N+]([O-])c1ccccc1OC[C@H](O)CCl	1565763	JLWYUYUMWOZWBL-SSDOTTSWSA-N	231.635	1.573	50	40	BDGB	
CCOC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	106523146	HSPWEDHWAWDNSQ-CIUDSAMLSA-N	226.276	1.200	50	40	BDGB	
C[C@H](Br)[C@@H](NN)c1ccccc1	199539401	ZJCPBALQKHRVFL-IONNQARKSA-N	229.121	1.974	50	40	BDGB	
CS(=O)(=O)CC1(CBr)CCC1	82164514	NLGMVDVRUYIXBK-UHFFFAOYSA-N	241.150	1.596	50	40	BDGB	in-vitro
CCOC(=O)N/N=C\c1ccccc1OC	5049261	GWJNBTHQZOSHRS-WQLSENKSSA-N	222.244	1.775	50	40	BDGB	
C/C(=N/NC(=O)CC#N)c1ccccc1	12410082	ZMTYYELIIJPWED-LCYFTJDESA-N	201.229	1.440	50	40	BDGB	
N#C/C(C(=O)OC1CCCCC1)=C(\N)S	6361372	CIZWQLUQDCRAAC-HJWRWDBZSA-N	226.301	1.486	50	40	BDGB	
CC(C)=NNC(=O)COc1ccccc1C	243860	PPWNSYUSMXJOSO-UHFFFAOYSA-N	220.272	1.886	50	40	BDGB	
CCC(=O)NNC(=O)c1cccc(C)c1	493216	PYRFNGFUFSULNO-UHFFFAOYSA-N	206.245	1.166	50	40	BDGB	
Cc1cc(C)nc(CCSS(=O)(=O)O)c1	6133726	UHKHSIUNEPQGGT-UHFFFAOYSA-N	247.341	1.777	50	40	BDGB	
C[C@@H]1CC[C@@H](C)N1P(=O)(N1CC1)N1CC1	100254724	FFYJIUCYVAVIKE-NXEZZACHSA-N	229.264	1.599	50	40	BDGB	
N#C/C(=C\c1ccc(Cl)s1)C(N)=O	1001868	OCIZIEBEFPKXLJ-HWKANZROSA-N	212.661	1.794	50	40	BDGB	
Cc1cccc(OCCNC(=O)CCl)c1	4205499	JPVOISOLKFAYSZ-UHFFFAOYSA-N	227.691	1.729	50	40	BDGB	in-vitro
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(N)=O)C2	4278912	QCEFOIDJHJPYIB-DNKVQXHTSA-N	209.293	1.857	50	40	BDGB	
COC(=O)[C@@H]1[C@@H]2CC(=O)[C@@H]1C[C@@H]2Br	217922451	HJVJEVYKBDLXPL-FZGKIIIMSA-N	247.088	1.148	50	40	BDGB	
O=C1OC(=O)c2cc(N3CCCC3=O)ccc21	199791979	AEVXLDCLLDURDC-UHFFFAOYSA-N	231.207	1.124	50	40	BDGB	
C/C(=N\NC(N)=O)c1c[nH]c2ccccc12	55134839	BCAVSPFEGWPYMW-VGOFMYFVSA-N	216.244	1.560	50	40	BDGB	
CC1CCN(c2nc(N)nc(CCl)n2)CC1	20153874	FFJRPIYITXDCBZ-UHFFFAOYSA-N	241.726	1.429	50	40	BDGB	
O=C(CCl)NCc1cnc(Cl)s1	79421982	ARAICACNVSYXON-UHFFFAOYSA-N	225.100	1.652	50	40	BDGB	
NNC(=O)c1ccc(-n2cccc2)cc1Cl	144803974	YUKGBRBOHDNRIZ-UHFFFAOYSA-N	235.674	1.734	50	40	BDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)Cl)c1	11848451	NIGQHLJUFNFGKM-UHFFFAOYSA-N	247.703	1.316	50	40	BDGB	
CCc1c(C)nn(CC(=O)Cl)c1C	34927124	CLDASZLXYIWKQX-UHFFFAOYSA-N	200.669	1.828	50	40	BDGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)N/C=N/O	15957126	ODGOMLZNMNSMME-WEVVVXLNSA-N	249.657	1.781	50	40	BDGB	
CC[C@](C)(C(=O)NN)N1C[C@H](C)C[C@@H](C)C1	22123763	JNHOQSQNKYKMOU-CKYFFXLPSA-N	227.352	1.123	50	40	BDGB	
O=C(NN=C1CCCC1)[C@H](O)c1ccccc1	1480393	BUZFAKOKYNHGAH-GFCCVEGCSA-N	232.283	1.766	50	40	BDGB	
COC(=O)N/N=C/c1cccc(OC)c1O	3243858	DIEDYZYEUHKBPZ-IZZDOVSWSA-N	224.216	1.091	50	40	BDGB	
CCCOc1ccc(C(=O)NN)cc1OC	3298521	JVXVFTKWLPOLRB-UHFFFAOYSA-N	224.260	1.088	50	40	BDGB	in-vitro
CCC/C=N/NC(=O)c1ccc(O)cc1	3899064	IJPXWBYZFJTALI-XYOKQWHBSA-N	206.245	1.908	50	40	BDGB	
O=C(CCl)NC[C@@H]1COc2ccccc2O1	4204764	PTFGDIIPBTVOFQ-MRVPVSSYSA-N	241.674	1.181	50	40	BDGB	in-vitro
CCCCOC(=O)/C(C#N)=C/c1cnn(C)c1	96124576	VZMIOBWSFUGVNM-IZZDOVSWSA-N	233.271	1.670	50	40	BDGB	
O=C(CCCCl)Nc1nnc(S)s1	5826290	CSGAYQHJXUAMBB-UHFFFAOYSA-N	237.737	1.784	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	63500	PVTUXLIWSQLDRD-FLIBITNWSA-N	230.267	1.833	50	40	BDGB	
CCOC(=O)/C(C#N)=C1\SC[C@H](C#N)S1	18194670	MBOQWYVVZRENTR-OQHQPDIQSA-N	240.309	1.657	50	40	BDGB	
O=c1cc(CCl)c2ccc(O)c(O)c2o1	490558	DISLGKNXGGQKTE-UHFFFAOYSA-N	226.615	1.943	50	40	BDGB	biogenic
C[C@H]1CN1P(=O)(OCCCl)N1C[C@@H]1C	4720723	TZZGPKWCRPWZFL-PHYGOIRESA-N	238.655	1.758	50	40	BDGB	
O=C1CCc2cc([C@H](O)CCl)ccc2N1	39309021	OQHJYCOOKFSMPC-SNVBAGLBSA-N	225.675	1.844	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1C1CCCC1	223697459	PZEUQEUQTIEWRG-UHFFFAOYSA-N	221.304	1.824	50	40	BDGB	
CCCCc1ccc(C(=O)NN)n1CC	226026474	SWUVENPWLZONGI-UHFFFAOYSA-N	209.293	1.454	50	40	BDGB	
CC(C)Oc1ccc2ccccc2c1B(O)O	169748177	YHVDICWVRLAXMV-UHFFFAOYSA-N	230.072	1.307	50	40	BDGB	in-vitro
CCOC(=O)NNC(=O)[C@@H]1CC=CCC1	21770956	GUXNETDDQPXAPN-MRVPVSSYSA-N	212.249	1.120	50	40	BDGB	
O=C(CC1CCCC1)NNC(=O)c1ccccn1	8197744	ONSTYOGBLDBHER-UHFFFAOYSA-N	247.298	1.423	50	40	BDGB	
Br[C@H]1CCCC12OCCO2	44831756	DXVRAPHFXNUTFE-LURJTMIESA-N	207.067	1.677	50	40	BDGB	
Cc1cc(C(=O)CCl)c(C)n1-c1ncn[nH]1	12997609	FKXXNKTZIWBSQY-UHFFFAOYSA-N	238.678	1.634	50	40	BDGB	
O=C(CCl)NC[C@@H]1C[C@H]2CC[C@H]1C2	245224765	DEMBNIDNLWDHLT-CIUDSAMLSA-N	201.697	1.778	50	40	BDGB	
NNC(=O)c1ncoc1-c1cccc(F)c1	226101122	KWGOTNKPYIVAJK-UHFFFAOYSA-N	221.191	1.084	50	40	BDGB	
COC(=O)/C(C#N)=C/Nc1ccc(F)cc1	100025591	DBBQDUBPVIUTKY-BQYQJAHWSA-N	220.203	1.818	50	40	BDGB	
COc1cc(/C=C(\C#N)[N+](=O)[O-])ccc1O	242793	VFBDDOROPMRGEH-XBXARRHUSA-N	220.184	1.542	50	40	BDGB	
CS(=O)(=O)SCCCCCCO	2379140	GMJZCWCHKQQHLR-UHFFFAOYSA-N	212.336	1.232	50	40	BDGB	in-vitro
CC(C)(C)OC(=O)N/N=C/c1ccncc1	3574708	HWDJKQYULVDZQQ-MDWZMJQESA-N	221.260	1.940	50	40	BDGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=N/NC(N)=O)/C2=C\O	100367169	KPCMUWYRHDIGLH-YIUIRSSOSA-N	237.303	1.909	50	40	BDGB	
OCCCCI	82880371	VRICZARLROAIDW-UHFFFAOYSA-N	200.019	1.194	50	40	BDGB	
COc1ccccc1/C=C(\C#N)S(C)(=O)=O	7714013	KLEXLMTULWNCDO-JXMROGBWSA-N	237.280	1.604	50	40	BDGB	
O=[N+]([O-])c1ccccc1-n1nnnc1CCl	36636266	XBVJSZKLSOTJTK-UHFFFAOYSA-N	239.622	1.309	50	40	BDGB	
O=C(CO)N/N=C/c1cccc(Cl)c1Cl	243408	OSNLEVYGYVAFKB-UUILKARUSA-N	247.081	1.436	50	40	BDGB	
CC(C)(C)OC(=O)NNCc1cccc(O)c1	16697250	PXOLLCZXWKWBPB-UHFFFAOYSA-N	238.287	1.922	50	40	BDGB	
COC(=O)N/N=C/c1ccc(OC)cc1OC	3239037	QUZHSGOGMKDQPA-KPKJPENVSA-N	238.243	1.394	50	40	BDGB	
CCOC(=O)NNC(=O)Nc1ccc(F)cc1	12910358	HRSKLKJNWNQRPS-UHFFFAOYSA-N	241.222	1.608	50	40	BDGB	
CCc1ccc(C(=O)NNC(=O)C2CCC2)cc1	5633980	FLLNGEGMDLIACZ-UHFFFAOYSA-N	246.310	1.810	50	40	BDGB	
C=CCOc1ccc(/C=N\NC(N)=O)cc1	34782449	MVIYCPAKGBXGIO-JYRVWZFOSA-N	219.244	1.254	50	40	BDGB	
Cc1cc(C)nc(N2C[C@@H](CCl)OC2=N)n1	40175499	FAZGQISVNAFQLT-MRVPVSSYSA-N	240.694	1.472	50	40	BDGB	
N#CC1=CCN(C(=O)c2ccccc2)CC1	95452991	CIJSACWVQUAICN-UHFFFAOYSA-N	212.252	1.982	50	40	BDGB	
C/C(N)=C(\C#N)C(=O)COc1ccccc1F	105835757	FRHPAWOJRSRTMB-HJWRWDBZSA-N	234.230	1.530	50	40	BDGB	
COC(=O)N1CC[C@H]2CC=C(C#N)O[C@@H]21	4267679	YNIIXJPWGOROPD-APPZFPTMSA-N	208.217	1.229	50	40	BDGB	biogenic
C[C@H](Br)CCn1cncn1	96511417	PCIRYSJRKUTMFI-LURJTMIESA-N	204.071	1.452	50	40	BDGB	
COc1cccc2c1N[S@@](=O)S2	5809719	JCONJIVRPRWHFC-GFCCVEGCSA-N	201.272	1.792	50	40	BDGB	
ClCCNCc1ccc2c(c1)OCO2	1621656	KHGWVLTVZNNFEX-UHFFFAOYSA-N	213.664	1.744	50	40	BDGB	
CS(=O)(=O)SCc1ccc([N+](=O)[O-])cc1	1714116	PEKXTZZFJZJGMP-UHFFFAOYSA-N	247.297	1.788	50	40	BDGB	
CC(=O)Oc1ccccc1/C=N\N(C)C(C)=O	8616282	WBYSRWBKVXOPDZ-JYRVWZFOSA-N	234.255	1.424	50	40	BDGB	
O=C(NNC(=O)C(F)(F)F)Nc1ccccc1	588500	APVANLIZYOOWCF-UHFFFAOYSA-N	247.176	1.402	50	40	BDGB	
O=C(CCl)NCc1cc(F)cc(F)c1	57214339	LNGRLXAXGGBEHL-UHFFFAOYSA-N	219.618	1.820	50	40	BDGB	in-vitro
CC(C)NC(=O)C(=O)NN=C1CCCCCC1	4402047	KTFYXEACVSCOGP-UHFFFAOYSA-N	239.319	1.337	50	40	BDGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccco1	4646344	YKSLVXUPCZDIFI-CVFBAYSTSA-N	216.240	1.961	50	40	BDGB	
NNC(=O)c1cccn1-c1ccc(Cl)cc1	223727249	YHLPKVMUVYBFRC-UHFFFAOYSA-N	235.674	1.734	50	40	BDGB	
O=C(CCl)NCc1cnn2ccccc12	77193723	DWUMUAICSVNPRC-UHFFFAOYSA-N	223.663	1.189	50	40	BDGB	
OB(O)c1ccc(COCc2cccs2)cc1	169807920	VNHRAFWDOVYDFC-UHFFFAOYSA-N	248.112	1.145	50	40	BDGB	
Cc1nc2sccn2c(=O)c1CCCl	332189	SVZSNASRUSJMAF-UHFFFAOYSA-N	228.704	1.846	50	40	BDGB	in-vitro
NNC(=O)c1cccc(-n2cccc2)c1	27890051	CYTJUPHWPUHAHR-UHFFFAOYSA-N	201.229	1.081	50	40	BDGB	
C/C(=N\NC(=O)c1cccnc1)c1ccncc1	4894767	LGBILRGITBBGKO-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
O=C(NCc1ccco1)NN=C1CCC1	84432763	UBXMYFGFCCCAJM-UHFFFAOYSA-N	207.233	1.619	50	40	BDGB	
COC(=O)N1CC[C@@H]2CC=C(C#N)O[C@H]21	4267685	YNIIXJPWGOROPD-IONNQARKSA-N	208.217	1.229	50	40	BDGB	biogenic
N#C/C(=C\c1cccc2[nH]ccc12)C(N)=O	49538554	KWINZUSDAFGWNP-RMKNXTFCSA-N	211.224	1.560	50	40	BDGB	
CSC(SC)=C(C#N)C(N)=S	6485237	HNTXYZSTHBEZFG-UHFFFAOYSA-N	204.345	1.734	50	40	BDGB	
NNC(=O)C12[C@@H]3CCC[C@@H]1C32c1ccccc1	101027532	BNILRHQAVFHIFF-IENTYSSBSA-N	228.295	1.344	50	40	BDGB	
CCOC(=O)N/N=C/c1cc(C)ccc1O	3163428	VJXYSROKCNDVKH-KPKJPENVSA-N	222.244	1.781	50	40	BDGB	
CCCC[C@@H]1C[C@H](/C(C)=N/NC(N)=O)OC1=O	4616254	ULLVAEDJJLRJMU-CNPDAFSZSA-N	241.291	1.153	50	40	BDGB	
COC(=O)N/N=C(\C)c1ccc(O)cc1O	6792708	YMQJPASOWGSGDK-IZZDOVSWSA-N	224.216	1.178	50	40	BDGB	
C/C(=N/NC(=O)c1cc(C)[nH]n1)c1cccs1	16711856	HWUGSOASARVEJH-JYRVWZFOSA-N	248.311	1.934	50	40	BDGB	
COc1ccc(C/C(C)=N/NC(N)=O)cc1	5222163	MHYUKARLWQOKLZ-MDWZMJQESA-N	221.260	1.282	50	40	BDGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1NNC(N)=O	5732642	BVAYWSNJYXABFK-IVZWLZJFSA-N	213.325	1.620	50	40	BDGB	
C[C@H](Cl)c1no[n+]([O-])c1[C@@H](C)Cl	55135	NXLKVKNSIJLHTJ-IUYQGCFVSA-N	211.048	1.908	50	40	BDGB	
COCCN(Cc1ccccc1)C(=O)CCl	8155958	BUWPJFVXZNIDLT-UHFFFAOYSA-N	241.718	1.900	50	40	BDGB	in-vitro
CN(C)/C=C(/C#N)C(=O)NCc1ccc(F)cc1	57352084	FNUMROZITGUGAZ-LUAWRHEFSA-N	247.273	1.411	50	40	BDGB	
O=C(Nc1cccnc1)OCCCl	57218462	RQRJSSULTCSCIT-UHFFFAOYSA-N	200.625	1.869	50	40	BDGB	in-vitro
O=C(CN1CCCCC1)NN=C1CCCCC1	408785161	ZEBJZFWWCYKOEH-UHFFFAOYSA-N	237.347	1.909	50	40	BDGB	
O=S1(=O)C[C@@H](Cl)C(Cl)(Cl)C1	4016033	ZHLFQOQVRQIJCJ-GSVOUGTGSA-N	223.508	1.196	50	40	BDGB	
N#C/C(=C1/CCCN1)c1nnc2n1CCCCC2	19932848	PLALTEPOKYWEEH-ZHACJKMWSA-N	243.314	1.623	50	40	BDGB	
COc1cc(OC)cc(C(=O)NN=C(C)C)c1	44554433	DUONAXBMJNWPOF-UHFFFAOYSA-N	236.271	1.829	50	40	BDGB	
COc1cccc(/C=N/NC(=O)CC#N)c1OC	143704	JTLBCYIVSOWHIQ-RIYZIHGNSA-N	247.254	1.068	50	40	BDGB	
N#CC(C#N)=Cc1ccc(SC(=N)N)o1	5582286	DFIWMNSINIJPDP-UHFFFAOYSA-N	218.241	1.696	50	40	BDGB	
N#C/C(=C\N1CCc2ccccc21)C(N)=S	12275493	IZOBZFXXGMQCFW-CSKARUKUSA-N	229.308	1.743	50	40	BDGB	
C#CC(C)(C)OC[C@@H](CCl)OC(N)=O	1678380	LYNKDYGCNZUIIY-SSDOTTSWSA-N	219.668	1.118	50	40	BDGB	
O=C(Cc1ccccc1)NNC1CCCC1	1696163	ONBKUZPOVDLCRD-UHFFFAOYSA-N	218.300	1.793	50	40	BDGB	
CC(C)=NNC(=O)CCn1nc(C)cc1C	502041	WMUQRURSXILDBM-UHFFFAOYSA-N	222.292	1.402	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)C2CCC2)c(C)c1	9365543	BWMUIGZRYLYBET-UHFFFAOYSA-N	246.310	1.865	50	40	BDGB	
N#CC(C#N)=C(N)c1cc2ccccc2oc1=O	16037532	WWALSUOEWVTQGV-UHFFFAOYSA-N	237.218	1.510	50	40	BDGB	
O=C(OCCCl)[C@H]1C[C@H]2C=C[C@@H]1C2	1713025	FWONCFOUESAYJK-YIZRAAEISA-N	200.665	1.981	50	40	BDGB	
O=C1C2=C(SCCS2)C(=O)N1CCCl	3130404	UPQOURYPJKOYLX-UHFFFAOYSA-N	249.744	1.286	50	40	BDGB	
CN(C)NC(=O)c1nc2ccccc2s1	8091192	VTRXNIZPEMRIQI-UHFFFAOYSA-N	221.285	1.503	50	40	BDGB	
COC(=O)/C(C#N)=C/Nc1ccc(Cl)nc1	100273795	IXGIMFJPVNZVPA-FNORWQNLSA-N	237.646	1.727	50	40	BDGB	
NNC(=O)CCNc1ccc(Cl)cc1	58852757	NDSIMLIRYVJYAS-UHFFFAOYSA-N	213.668	1.132	50	40	BDGB	
CS(=O)(=O)c1ccc(NC(=O)CCl)cc1	9458163	HNTBRCDGAKVWJX-UHFFFAOYSA-N	247.703	1.267	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)Nc1cccc(F)c1	95913033	XDFFQTGVACRSKQ-CMDGGOBGSA-N	233.246	1.733	50	40	BDGB	
COC(=O)[C@H]1[C@H]2C[C@@H](Br)[C@@H]1CC2=O	225629780	HJVJEVYKBDLXPL-LZCNBPATSA-N	247.088	1.148	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1Cc1cccnc1	223700186	WKOMMSHDVYECKH-UHFFFAOYSA-N	244.298	1.152	50	40	BDGB	
CCCCC(=O)NNC(=O)c1cccs1	4713800	XGMLEFJMPKYKFL-UHFFFAOYSA-N	226.301	1.699	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1c(C)nn(CC)c1C	6961206	QMJAHZNOUWZYII-YRNVUSSQSA-N	247.298	1.990	50	40	BDGB	
CCC(C)(C)OOC(C)(C)C#CC(=O)O	97949770	PFIYTYINBXVORP-UHFFFAOYSA-N	214.261	1.990	50	40	BDGB	
NC(=O)N/N=C1\CCc2ccccc2C1	5849373	DGQZCBCOGSEJTM-JLHYYAGUSA-N	203.245	1.200	50	40	BDGB	
Cc1ccc(C(=O)N/N=C/c2ccco2)o1	5618439	KSZFLZMGRWMQJT-KPKJPENVSA-N	218.212	1.945	50	40	BDGB	
O=C1N[C@@H](Cc2ccccc2F)C(=O)O1	238559994	CTOBTHCJMQGJPV-QMMMGPOBSA-N	209.176	1.003	50	40	BDGB	
Cc1cc(C)c2c(N)c(C(=O)NN)sc2n1	157394	FOUODUVGPUPSNW-UHFFFAOYSA-N	236.300	1.099	50	40	BDGB	in-vitro
CC(C)(C)C(=O)NNC(=O)Cc1ccccc1	45232	HFXFTKMWMQVQPU-UHFFFAOYSA-N	234.299	1.423	50	40	BDGB	
O=C(NNC(=O)c1ccco1)c1ccc(F)cc1	2746889	DZRHMRLDDMAFRX-UHFFFAOYSA-N	248.213	1.494	50	40	BDGB	
COC(=O)N/N=C(\C)c1ccc2c(c1)OCO2	15938579	PALGHALZVAKEMB-KPKJPENVSA-N	236.227	1.495	50	40	BDGB	
CCOC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	171973	CQWPMNIIIQFFKB-YRNVUSSQSA-N	237.215	1.675	50	40	BDGB	
COc1ccccc1C(=O)NC(=O)CCl	3249860	ICBGINVOKCHKSA-UHFFFAOYSA-N	227.647	1.190	50	40	BDGB	in-vitro
O=C(CCl)NCCOc1cccc(F)c1	41258267	GCBHQMNFXYMRTR-UHFFFAOYSA-N	231.654	1.560	50	40	BDGB	in-vitro
C/C=N\NC(=O)COc1cc(C)ccc1C	7077977	CCLVJPGDXKUYSG-PQMHYQBVSA-N	220.272	1.804	50	40	BDGB	
O=[N+]([O-])c1ccnc(CBr)c1	71617723	OUGUTAUSQAZEJH-UHFFFAOYSA-N	217.022	1.885	50	40	BDGB	
CC(C)n1cc(C2CC(=O)OC(=O)C2)cn1	217688508	FKNBGNSTSWYMLF-UHFFFAOYSA-N	222.244	1.411	50	40	BDGB	
N#C/C(=C\c1ccc(Br)o1)C(N)=O	288875	DSPQMKOMBMQWDD-HWKANZROSA-N	241.044	1.434	50	40	BDGB	
CCOC(=O)/C(C#N)=C(/SC)N(C)C	3126224	BETPQBXIRTUVQT-BQYQJAHWSA-N	214.290	1.209	50	40	BDGB	
NC(=O)N/N=C1\CCCC[C@H]1c1ccccn1	13618939	BHSRKLPMJGOGMM-CQKLXZJXSA-N	232.287	1.764	50	40	BDGB	
O=C(NCCCl)c1cccc(F)c1	1667994	JREMKKRMKDHRQU-UHFFFAOYSA-N	201.628	1.794	50	40	BDGB	
O=C(NNc1ccccn1)c1ccc(Cl)nc1	480221	SBKOJQWCJQEWMA-UHFFFAOYSA-N	248.673	1.887	50	40	BDGB	
CC(C)CNC(=O)C(=O)NN=C1CCCCC1	58885559	HSZCTQBVDXQLIM-UHFFFAOYSA-N	239.319	1.195	50	40	BDGB	
CCOC(=O)[C@@H]1CCCCN1C(=O)CCl	4219103	LVJSWQWZFDHDMV-QMMMGPOBSA-N	233.695	1.169	50	40	BDGB	in-vitro
CC[C@H](C)C(=O)NNC(=O)CC(C)(C)C	84721314	RFCFLBMYWCSLKY-QMMMGPOBSA-N	214.309	1.616	50	40	BDGB	
O=C(O)[C@H](Cl)I	72399594	ORHUCRGLFVRTJV-PVQJCKRUSA-N	220.393	1.071	50	40	BDGB	in-vitro
CCCCNC(=O)CI	72226301	WQZSNLRVVXVEEP-UHFFFAOYSA-N	241.072	1.338	50	40	BDGB	
CC(C)CCC(=O)NNC(=O)c1ccccc1	27687157	OCNPVWSXTOPVPJ-UHFFFAOYSA-N	234.299	1.884	50	40	BDGB	
N#CC(C#N)=CNc1ccc(-n2cncn2)cc1	2549830	BZUXSYCVLPOZDK-UHFFFAOYSA-N	236.238	1.610	50	40	BDGB	
O=C(CCl)N1Cc2cccc(O)c2C1	536954967	RWPZUNVIBSGNPV-UHFFFAOYSA-N	211.648	1.473	50	40	BDGB	
CC1(C)OCC[C@@H](CBr)O1	79042068	ZEWOLCKVOBXLLD-LURJTMIESA-N	209.083	1.923	50	40	BDGB	
O=C(CCBr)N1CCCOCC1	72220359	OGOQCLMMURDSOZ-UHFFFAOYSA-N	236.109	1.020	50	40	BDGB	
CCc1ccc(C(=O)NN)n1CC(C)C	226021996	QNEZQCSFFKGGBR-UHFFFAOYSA-N	209.293	1.310	50	40	BDGB	
C[C@@H](Br)[C@@H](O)C(F)(F)F	2560293	ZYTIKOBNGZIVKJ-PWNYCUMCSA-N	206.989	1.693	50	40	BDGB	in-vitro
CC(=O)OC[C@H](OC(C)=O)[C@@H](Cl)CCl	1584845	IWWXQWGNLXJWIK-YUMQZZPRSA-N	243.086	1.327	50	40	BDGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CC2)c1	2780127	VCOHTQXHTDOZRQ-RIYZIHGNSA-N	248.282	1.564	50	40	BDGB	
Cc1ccc(NC(=S)NNC(N)=O)cc1C	9189522	ZKZCCLBXBVOHSW-UHFFFAOYSA-N	238.316	1.173	50	40	BDGB	
CC1=C(/C=N/NC(N)=O)C(=O)[C@H](C(C)C)C=C1	100365468	YLIYKAGEEOMVEF-RGEMTFFCSA-N	235.287	1.368	50	40	BDGB	
CCCCC[C@@H](O)C[C@H](CC)C(=O)NN	2227599	DZQOUXPZELJEIX-VHSXEESVSA-N	216.325	1.334	50	40	BDGB	
O=C1C=C(NNC(=O)c2ccco2)CCC1	408952423	KHDUZZFBRRWYHY-UHFFFAOYSA-N	220.228	1.151	50	40	BDGB	
Cn1c(CCc2ccccc2)ccc1C(=O)NN	226028197	QUJXOXMCROVLEK-UHFFFAOYSA-N	243.310	1.414	50	40	BDGB	
O=C(N/N=C/c1ccccc1O)C1CC1	12341703	PISRKRUCLRZATH-KPKJPENVSA-N	204.229	1.252	50	40	BDGB	
O=C(O)[C@@H]1[C@@H]2CC(=O)[C@@H]1C[C@H]2Br	100411695	BXXPKNCQABBGDK-LPWFLVPJSA-N	233.061	1.060	50	40	BDGB	
NC(=O)N/N=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	104120494	QFGGWQCIRBTVNP-CXVDBUGLSA-N	207.277	1.467	50	40	BDGB	
CCOC(=O)[C@H](C)I	34564276	AVMMXNKUHBWIMU-BYPYZUCNSA-N	228.029	1.373	50	40	BDGB	in-vitro
CCOC(=O)[C@@H](Br)C(=O)C(F)F	110768380	FDWKQXQWEPQWIZ-VKHMYHEASA-N	245.019	1.147	50	40	BDGB	
COc1cccc(/C=N/C(C#N)=C(\N)C#N)c1O	2543642	HYPOJQUWLSUZGN-ZWNLQZFLSA-N	242.238	1.037	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)c2ccsc2)n1	12938436	GVUSMRKNZGBPJH-UHFFFAOYSA-N	248.311	1.912	50	40	BDGB	
CC[C@](C)(C(=O)NN)N1CCCCCC1	22123817	RRJQDJKSUZDRSZ-LLVKDONJSA-N	213.325	1.021	50	40	BDGB	
O=C(CCl)Nc1cc(C(=O)O)ccc1F	37013002	SUXXCNBNFYICJJ-UHFFFAOYSA-N	231.610	1.701	50	40	BDGB	
CC[C@@H](C)Oc1ccc(C(=O)NN)cc1OC	216882556	SUPBYTBNFUMETI-MRVPVSSYSA-N	238.287	1.476	50	40	BDGB	
CCn1c(CCC(C)C)ccc1C(=O)NN	226024622	NWWGASQUVZNUGS-UHFFFAOYSA-N	223.320	1.700	50	40	BDGB	
Cc1ccccc1C(=O)[C@H](Cl)S(C)(=O)=O	96517771	LCLUNFLDAIKEDC-SNVBAGLBSA-N	246.715	1.787	50	40	BDGB	
COC(=O)[C@H](Cc1ccccc1)SC#N	568070	LIZYKUWCTWWSBG-JTQLQIEISA-N	221.281	1.985	50	40	BDGB	
N[C@H](NC(=O)c1ccccc1)C(Cl)Cl	3132157	XWNTYICHEOUUJO-MRVPVSSYSA-N	233.098	1.505	50	40	BDGB	
CN(C)S(=O)(=O)c1cccc(N=C=S)c1	3885137	ZTLVXVCTSKNVJA-UHFFFAOYSA-N	242.325	1.671	50	40	BDGB	
CNC(=O)[C@@H]1CCCC[C@@H]1Br	1578060	JESFBRDANDJQKC-RQJHMYQMSA-N	220.110	1.686	50	40	BDGB	
Cc1cc(C(F)(F)F)nn1CC(=O)Cl	2521284	ZCOXUPVESDJDHX-UHFFFAOYSA-N	226.585	1.976	50	40	BDGB	
C[C@H](Oc1ccc(C=C(C#N)C#N)cc1)C(=O)O	59249984	OLEFFLSZXPHKTL-VIFPVBQESA-N	242.234	1.969	50	40	BDGB	
CCOC(=O)/C(C#N)=C1\SC[C@@H](C#N)S1	18194669	MBOQWYVVZRENTR-LPWOPMKCSA-N	240.309	1.657	50	40	BDGB	
CC(=O)N/N=c1\scc(C)n1-c1ccccc1	5799109	PVTASZWBLLCUQF-OWBHPGMISA-N	247.323	1.799	50	40	BDGB	
CC(C)N(C)C1CCC(NC(=O)CCl)CC1	79419169	JEGWSCDMWUMXAP-UHFFFAOYSA-N	246.782	1.993	50	40	BDGB	
C#CCn1cc(/C=N/NC(C)=O)c2ccccc21	137671308	BRTWCDOJLBTGIY-OQLLNIDSSA-N	239.278	1.745	50	40	BDGB	
C[C@H](Cl)C(=O)NCC(=O)C(C)(C)C	238419285	MVEIVBZYRNBCML-LURJTMIESA-N	205.685	1.345	50	40	BDGB	
CO[C@H]1C[C@H](C(=O)Cl)C[C@@H](OC)[C@@H]1OC	245238948	CTUAUKULOYQIOE-FOVOQCRYSA-N	236.695	1.207	50	40	BDGB	
C[C@H](C(=O)O)N(N=[N+]=[N-])C(=O)OC(C)(C)C	114746390	NOAOACNYCMDXCJ-RXMQYKEDSA-N	230.224	1.922	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/NCc2ccccc2N1	6242094	PJAUHZFGNVBFDX-BENRWUELSA-N	243.266	1.500	50	40	BDGB	
CN(C(=O)CCl)c1ccc(C(=O)O)cc1	2389421	QKSXGBJMRZJGTM-UHFFFAOYSA-N	227.647	1.586	50	40	BDGB	
Cc1cccc(C(=O)NN)c1Br	2580654	GERWYUGLUCYCRI-UHFFFAOYSA-N	229.077	1.361	50	40	BDGB	
CC(=O)NNc1ncnc2ccccc12	3423858	IZDHKBHNSSFKTE-UHFFFAOYSA-N	202.217	1.093	50	40	BDGB	
CC(=O)CN1c2ccccc2[C@H](Cl)[C@H]1C=O	13941920	VKQCIGDZSLAMBT-NEPJUHHUSA-N	237.686	1.943	50	40	BDGB	
Cc1nc2scc(C)n2c1/C=N/NC(N)=O	7894883	LYJKOPVRECPZGF-QDEBKDIKSA-N	237.288	1.015	50	40	BDGB	
CCc1sc(C(=O)NN)cc1Cl	85393272	RKYJPUTXFMMCMY-UHFFFAOYSA-N	204.682	1.567	50	40	BDGB	
C[C@@H](Br)CCn1cncn1	96511418	PCIRYSJRKUTMFI-ZCFIWIBFSA-N	204.071	1.452	50	40	BDGB	
OCCOC[C@@H](Br)C(F)(F)F	1083808058	YSFJUNOSZCRNBQ-SCSAIBSYSA-N	237.015	1.321	50	40	BDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CC1	3232412	DULLFHAXBCRLSN-BJMVGYQFSA-N	223.188	1.048	50	40	BDGB	
O=S(=O)(CCCCCl)Nc1ccccn1	5007969	URBFTOTZRYHBMP-UHFFFAOYSA-N	248.735	1.842	50	40	BDGB	
C/C(CCc1ccccc1)=N\NC(N)=O	17014871	CWBVVWLLJCWSSP-UKTHLTGXSA-N	205.261	1.663	50	40	BDGB	
O=S(=O)(SC1=NCCN1)c1ccccc1	1703849	ACLRUKBIVJYLFC-UHFFFAOYSA-N	242.325	1.068	50	40	BDGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1cccnc1	4646972	JYWATBJXVPZQPY-IPPACRRKSA-N	227.267	1.763	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	33847698	HRVQQDZKQVLTFW-XFXZXTDPSA-N	243.310	1.748	50	40	BDGB	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1C1CC1	32751807	AMIOATFWFBBGCA-IZZDOVSWSA-N	229.283	1.832	50	40	BDGB	
NC(CCBr)CCBr	1598096	GUOUTHUAKFEJFJ-UHFFFAOYSA-N	244.958	1.884	50	40	BDGB	
CC(C)CC(=O)N/N=C1\C(=O)Nc2ccccc21	101135780	JYHATVSMHUSUAF-UHFFFAOYSA-N	245.282	1.505	50	40	BDGB	
O=C(NCCO)NCCCCCCCl	3012288	KHUREWBUPLDQOU-UHFFFAOYSA-N	222.716	1.077	50	40	BDGB	
O=N[C@@H]1[C@H]2C[C@H]([C@H]3COC[C@H]32)[C@@H]1Cl	4769239	IYAJFQMOIACNQB-UAYVRNJPSA-N	201.653	1.641	50	40	BDGB	
COc1ccc(/C=N/NC(=O)C(C)C)cc1	3163633	OWFMTVHGCPBJLI-MDWZMJQESA-N	220.272	1.801	50	40	BDGB	
NC(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	33399669	AZRGXWOJBFHMQW-WCIBSUBMSA-N	242.622	1.250	50	40	BDGB	
Cc1cccn1Cc1cccc(C(=O)NN)c1	226032359	LLFYSJKNGYEMES-UHFFFAOYSA-N	229.283	1.448	50	40	BDGB	
BrCc1ccc(B2OCCO2)cc1	169748203	GNLXZUWZSBFRHM-UHFFFAOYSA-N	240.893	1.324	50	40	BDGB	in-vitro
N#Cc1ccc([C@@H](O)CBr)cc1	39395489	INHNSIVIOWOLQP-VIFPVBQESA-N	226.073	1.987	50	40	BDGB	in-vitro
C/C(CSc1ccccc1)=N/NC(N)=O	17423082	QPQWXUUEBPLSAL-WQLSENKSSA-N	223.301	1.823	50	40	BDGB	
CC(C)COC(=O)[C@H](C)Br	32155464	MAYJUJUXGCDPPX-LURJTMIESA-N	209.083	1.969	50	40	BDGB	in-vitro
Cc1ccc(/C=N\NC(=O)c2csnn2)cc1	29763475	XMHHSQNYJUQVNF-SDQBBNPISA-N	246.295	1.610	50	40	BDGB	
O=C(Nc1nccs1)OCCCl	39123777	KXXDBEWCTRHXRI-UHFFFAOYSA-N	206.654	1.930	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1Cc1ccccn1	223699875	OBELYWBTOLNXPI-UHFFFAOYSA-N	244.298	1.152	50	40	BDGB	
CC(C)=NNC(=O)Cc1nc2ccccc2[nH]1	5495223	UKYJLTISNWQZLJ-UHFFFAOYSA-N	230.271	1.617	50	40	BDGB	
N#CC1=C[C@H](c2ccccc2)[C@@H]2OC(=O)N[C@H]2O1	13406463	PEJFPXVYSOHJBX-WOPDTQHZSA-N	242.234	1.642	50	40	BDGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@@H]3O[C@@H]3C2)O1	16137716	NBDKOJSGJIGOBM-SPFKKGSWSA-N	218.680	1.534	50	40	BDGB	
N#CC(C#N)=C(N1CCOCC1)C(F)(F)F	784559	ASOZGVRISZWFNX-UHFFFAOYSA-N	231.177	1.182	50	40	BDGB	
O=P1(O)c2ccccc2-c2ccccc21	1561718	IDEIKMWDUBOODW-UHFFFAOYSA-N	216.176	1.888	50	40	BDGB	
COC(=O)NNc1ccccc1C(=O)OC	1735252	OQUIEOWHHSTLHI-UHFFFAOYSA-N	224.216	1.156	50	40	BDGB	
NNC(=O)/C=C/c1cccc(Cl)c1Cl	37387996	RISAMCDWENGJTL-SNAWJCMRSA-N	231.082	1.997	50	40	BDGB	
CCO/N=C(\C)[C@@H](C)SS(=O)(=O)O	5048386	AGSGVLMGOOFQBK-LUFONEFESA-N	227.307	1.323	50	40	BDGB	
CCOC(=O)[C@]1(CC)CCC/C1=N\NC(N)=O	5469211	BBBPVGLXKUFFTB-KAQJVSAMSA-N	241.291	1.154	50	40	BDGB	
COC1=C(Cl)C(=O)[C@@H](Cl)C12OCCO2	92518	FDYYLKDOEKXSIQ-ZCFIWIBFSA-N	239.054	1.016	50	40	BDGB	biogenic
CC(C)C(=O)N/N=C\c1ccccc1O	58885392	NSGNCFAGFIEXGG-GHXNOFRVSA-N	206.245	1.498	50	40	BDGB	
CCN1C=CC=C/C1=C(\C#N)C(N)=C(C#N)C#N	97946011	IXCZCPPEHSVPSY-QXMHVHEDSA-N	237.266	1.429	50	40	BDGB	
O=C(N(CCCl)CCCl)C(F)(F)F	1716370	DXKDSKVIFCHOSI-UHFFFAOYSA-N	238.036	1.855	50	40	BDGB	
O=C1CN(C(=O)OCc2ccccc2)C(=O)O1	103627158	ZCVPEWOITAFJJW-UHFFFAOYSA-N	235.195	1.302	50	40	BDGB	
CC(C)(C)c1ccc(CC(=O)NN)cc1	9096124	YYBUWJQLOGBDBI-UHFFFAOYSA-N	206.289	1.517	50	40	BDGB	
CC(C)N(C[C@H]1CCCN1C)C(=O)CCl	79406618	BQYWNWOQRZGPSO-SNVBAGLBSA-N	232.755	1.556	50	40	BDGB	
CC(C)N(Cc1cnccn1)C(=O)CCl	79422421	RMQOQUUOKYDDDM-UHFFFAOYSA-N	227.695	1.452	50	40	BDGB	
COc1ccc(OC)c(/C=N/NC(C)=O)c1	5283458	XHDLZQPKDKJJQY-KPKJPENVSA-N	222.244	1.174	50	40	BDGB	
CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	1104965	FJBRCPHBVNDMKK-JXMROGBWSA-N	216.240	1.435	50	40	BDGB	
O=S(=O)(CCCCl)NCc1ccccc1	36881482	YNLHUQPDOUXJMG-UHFFFAOYSA-N	247.747	1.735	50	40	BDGB	
CCN(CC)[P@@](=O)(N1C[C@@H]1C)N1C[C@H]1C	301054512	XJQYOBYQBFQJBV-RSZDDRISSA-N	231.280	1.845	50	40	BDGB	
CCC(=O)NNc1ccc(C#N)cc1[N+](=O)[O-]	5008347	JHRJPXYPIBYESW-UHFFFAOYSA-N	234.215	1.320	50	40	BDGB	
C/C(C=O)=C\c1cc2c(cc1[N+](=O)[O-])OCO2	5638445	MXJICFJHDBIBIX-FARCUNLSSA-N	235.195	1.926	50	40	BDGB	
CN(Cc1ccc(Cl)nn1)C(=O)CCl	79435643	QRQRWNMYPUFASB-UHFFFAOYSA-N	234.086	1.327	50	40	BDGB	
CN1CC[C@H](CN(C(=O)CCl)C2CC2)C1	79406708	JYSHTPVNABPUNX-VIFPVBQESA-N	230.739	1.168	50	40	BDGB	
C[C@H]1CC(C)(C)N(CC(=O)NN)c2ccccc21	223189248	QHJTXOFBDYCBCH-JTQLQIEISA-N	247.342	1.769	50	40	BDGB	
O=C1C[C@H]2[C@@H](Br)C[C@H]1[C@H]2C(=O)O	242437310	BXXPKNCQABBGDK-RULRNXASSA-N	233.061	1.060	50	40	BDGB	
O=C(CN1CCCCC1)N/N=C/c1ccco1	175755	BLDGNZWCNWYAEM-UKTHLTGXSA-N	235.287	1.216	50	40	BDGB	
CC(C)(C)OC(=O)[C@H]1CC/C(=C\C#N)CO1	1565504795	LAGGCXGVNHTNEP-OLKPEBQYSA-N	223.272	1.957	50	40	BDGB	
O=C(N/N=C/c1ccc(O)cc1)C1CC1	511181	ATSQEJRJIRXYQE-KPKJPENVSA-N	204.229	1.252	50	40	BDGB	
CCOC(=O)[C@H](CCSC)N=C=S	2033780	PZIMADCJEIBHGU-ZETCQYMHSA-N	219.331	1.774	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccc(O)cc1	4551473	HWBHEYTWMVDSHY-MDWZMJQESA-N	218.256	1.642	50	40	BDGB	
O=C(O)CN1CCC[C@H](CBr)C1	79390364	SHPRBRKQVGAKGT-SSDOTTSWSA-N	236.109	1.178	50	40	BDGB	
COc1cc([N+](=O)[O-])cc(/C=C(\C)C=O)c1O	40546306	RSJNSHVGPMUXPD-XVNBXDOJSA-N	237.211	1.911	50	40	BDGB	
C[C@H](NC(=O)CCl)c1nccs1	41698978	HBTKIIXMNCPIFH-YFKPBYRVSA-N	204.682	1.559	50	40	BDGB	
COC(=O)[C@@H](CCl)NC(=O)OC(C)(C)C	16698093	VAUXVOGTPPDPQC-ZCFIWIBFSA-N	237.683	1.292	50	40	BDGB	in-vitro
CN(C)C[C@@H](Cl)C(=O)c1ccc(O)c(O)c1	20123638	WTBQPUROFQQQQX-MRVPVSSYSA-N	243.690	1.450	50	40	BDGB	
CC1=C[C@H](C)[C@H](/C=N/NC(N)=O)[C@@H](C)C1	4675959	YBYSXMKQRHGENA-AFGFBXRXSA-N	209.293	1.879	50	40	BDGB	
CCCn1nc(C(=O)OCC)cc1C(=O)Cl	408717659	MZANRUOTDIZGQE-UHFFFAOYSA-N	244.678	1.849	50	40	BDGB	
CC(C)OC(=O)/C(C#N)=C/c1cnn(C)c1	96124575	KCCGSDJRDSHBDT-ONNFQVAWSA-N	219.244	1.279	50	40	BDGB	
BrCCCCn1cncn1	36949614	AIQWNAQHLIXHBU-UHFFFAOYSA-N	204.071	1.453	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(N)=O)cc1Cl	255669147	WNZCTLDFZBJZGG-XBXARRHUSA-N	236.658	1.741	50	40	BDGB	
COC(=O)N/N=C/c1ccccc1C(=O)O	16189878	QVTPGCQNUBGYGQ-IZZDOVSWSA-N	222.200	1.075	50	40	BDGB	
CC(C)(C)OC(=O)N1CC(F)=C(C=O)C1	1857794592	CJGOSFOBXHSXFE-UHFFFAOYSA-N	215.224	1.660	50	40	BDGB	
CC(C)N(C)[C@H]1CC[C@H](NC(=O)CCl)CC1	100178328	JEGWSCDMWUMXAP-PHIMTYICSA-N	246.782	1.993	50	40	BDGB	
COC(=O)N1CC[C@H]2[C@@H]1OC(C#N)=C[C@H]2C	4267690	LWFJZAAHBCLHQF-QNSHHTMESA-N	222.244	1.475	50	40	BDGB	biogenic
COP(=O)(CC(=O)CCl)OC	95890309	KQOPZQMGPRYJOI-UHFFFAOYSA-N	200.558	1.280	50	40	BDGB	
CO[C@@H]1COCC[C@@H]1CBr	307220233	OREIHDVPJUHSPX-RNFRBKRXSA-N	209.083	1.433	50	40	BDGB	
NNC(=O)Cc1ccc(F)cc1Cl	16158289	PRASZCCYLWKZKA-UHFFFAOYSA-N	202.616	1.012	50	40	BDGB	
COC(=O)CSS[C@@H](C)C(=O)OC	1626926	QEMMLINDZRMNRI-YFKPBYRVSA-N	224.303	1.102	50	40	BDGB	
Cc1ccc(C(=O)NN)cc1Br	1236598	SVZACRLLIPEQOC-UHFFFAOYSA-N	229.077	1.361	50	40	BDGB	in-vitro
C/C(=N/NC(=O)c1cccnc1)c1cccnc1	18191578	FOONZJPAQUHJMG-YBEGLDIGSA-N	240.266	1.631	50	40	BDGB	
CCOCCI	34172970	YZWJRUFHOBINIK-UHFFFAOYSA-N	200.019	1.458	50	40	BDGB	
CCN[C@@H](C(C)C)[Si](OC)(OC)OC	196684459	XHTUAIITEFRCHJ-SECBINFHSA-N	221.373	1.038	50	40	BDGB	
Cc1ccccc1[C@H](O)[C@@H](Cl)S(C)(=O)=O	96518882	BWYUVRLNJNKNHJ-UWVGGRQHSA-N	248.731	1.638	50	40	BDGB	
CC(=N\O)/C(C)=N/NC(=O)c1ccncc1	103630318	FCDLMCBKQLRKSA-BKKXBQFWSA-N	220.232	1.037	50	40	BDGB	
O=S1(=O)C[C@H](Cl)C(Cl)(Cl)C1	4016032	ZHLFQOQVRQIJCJ-VKHMYHEASA-N	223.508	1.196	50	40	BDGB	
CN(C)P(=O)(N(C)C)N1CCCC1	104201868	GRDPQJYXEJQHAF-UHFFFAOYSA-N	205.242	1.314	50	40	BDGB	
COc1ccc(/C=N/NC(=O)CC#N)c(OC)c1	59385963	GZFYANPIDNREHD-RIYZIHGNSA-N	247.254	1.068	50	40	BDGB	
O=C(N/N=C/c1cccc(F)c1)c1ccncc1	3585816	IRBHNKPBXBJIAJ-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
CC(C)C(=O)N(C)N(C)C(=O)C(C)C	18193553	XMZVSDKFHJNDNV-UHFFFAOYSA-N	200.282	1.130	50	40	BDGB	
C/C=N/NC(=O)COc1ccc(OC)cc1	5621353	AXYNJTQBZSPBCG-KGVSQERTSA-N	222.244	1.196	50	40	BDGB	
C/C=C/C=C/C(=O)NNC(=O)c1ccccc1	7007537	SXDROHMOGLLFGI-XPQLPGEHSA-N	230.267	1.580	50	40	BDGB	
CCN(C[C@@H]1CCCN(C)C1)C(=O)CCl	79406568	GDKXQDKKTZXTRK-SNVBAGLBSA-N	232.755	1.416	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)c2ccncc2)o1	32465	RQXYZIPZGWAYFQ-RIYZIHGNSA-N	229.239	1.747	50	40	BDGB	
BrCCOC[C@H]1CCCCO1	19415137	HYKIMIVKNMYPNW-MRVPVSSYSA-N	223.110	1.967	50	40	BDGB	in-vitro
CN1C[C@H](Cl)c2sccc2S1(=O)=O	30714447	LKFBXXDBLFUSRL-YFKPBYRVSA-N	237.733	1.662	50	40	BDGB	
CC(=O)Oc1c(C)cc([N+](=O)[O-])cc1C#N	216770228	FAFGEKBCYZPUDJ-UHFFFAOYSA-N	220.184	1.700	50	40	BDGB	
O=C(CCl)OCCC1CCNCC1	42768581	UXZNEVLRLVURGA-UHFFFAOYSA-N	205.685	1.158	50	40	BDGB	
NNC(=O)c1cccn1-c1cccc(F)c1	223731859	AKQZLQNHTXLSPI-UHFFFAOYSA-N	219.219	1.220	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1cccc(OC)c1	5914026	KGSJWFRDZXEDJL-POHAHGRESA-N	216.240	1.348	50	40	BDGB	
O=C(NNC1=NCCCCC1)c1ccncc1	245508	KEJLIBRCCSHAMT-UHFFFAOYSA-N	232.287	1.289	50	40	BDGB	
CC/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	8652255	SIMGPTICBXTDSM-XFFZJAGNSA-N	221.216	1.720	50	40	BDGB	
ClC[C@H]1CNC(c2ccccc2)=NO1	38892353	WZJCDAHJVIMHRG-VIFPVBQESA-N	210.664	1.575	50	40	BDGB	in-vitro
CN(C)C[C@H]1CCCCN1C(=O)CCl	79419104	CFRMTAOCMMXLNU-SECBINFHSA-N	218.728	1.168	50	40	BDGB	
N#C/C=C(\N)N1CCN(Cc2ccccc2)CC1	20365508	WDHNDFQDLGHKLA-MKMNVTDBSA-N	242.326	1.128	50	40	BDGB	
O=C(Cc1ccccc1)N/N=C/c1ccco1	51026	UAELNGZUSDDWHP-GXDHUFHOSA-N	228.251	1.972	50	40	BDGB	
CN(CCCl)C(=O)c1ccc([N+](=O)[O-])cc1	1763309	FXJDQZCNDRHZNW-UHFFFAOYSA-N	242.662	1.906	50	40	BDGB	
COc1ccnc(NNC(=O)/C=C(\C)C2CC2)n1	48699011	MWFAYIYZDOBGTJ-BQYQJAHWSA-N	248.286	1.285	50	40	BDGB	
COc1ccc(C)cc1N/C=C(\C#N)C(N)=O	16290945	HOSNCAPZTUQXHA-VQHVLOKHSA-N	231.255	1.308	50	40	BDGB	
Cc1nc(N)nc(Cl)c1CCCl	20272895	WYERPOXPYAEELU-UHFFFAOYSA-N	206.076	1.802	50	40	BDGB	
CS(=O)(=O)c1ccc(CCl)nc1	83428664	DDUPPYNRMUFZQX-UHFFFAOYSA-N	205.666	1.224	50	40	BDGB	
CN(C)[P@@]1(=O)NCc2ccccc2N1	59662331	MRRKLQHJECIUOE-CQSZACIVSA-N	211.205	1.871	50	40	BDGB	
NNC(=O)CCNc1ccc(C(F)(F)F)cc1	64873710	PURDJIXDBZLXRP-UHFFFAOYSA-N	247.220	1.497	50	40	BDGB	
COc1cc(/C=C(/C#N)C(N)=S)ccc1O	16097428	QUNKDXWFLCLTPE-YWEYNIOJSA-N	234.280	1.594	50	40	BDGB	
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C(=O)[C@@H]2Br	85385483	XKWLNOVDLCIPOC-XZBKPIIZSA-N	247.088	1.148	50	40	BDGB	
CC(C)NNC(=O)c1cn(C)c2ccccc12	239562610	FTXJYWWMJJFVLL-UHFFFAOYSA-N	231.299	1.821	50	40	BDGB	
COC1=C(Cl)C(=O)[C@H](Cl)C12OCCO2	92519	FDYYLKDOEKXSIQ-LURJTMIESA-N	239.054	1.016	50	40	BDGB	biogenic
COC[C@@H](OC)[C@H](CC=C(C#N)C#N)OC	1628966	MQMXFBSFZANTIS-WDEREUQCSA-N	224.260	1.026	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)c1ccccc1F	44563796	KUUOEUPWHQUSLA-CMDGGOBGSA-N	218.231	1.977	50	40	BDGB	
CN(C)S(=O)(=O)c1ccc(CCl)o1	32500903	IRBKLIJSQPGOFR-UHFFFAOYSA-N	223.681	1.269	50	40	BDGB	in-vitro
COc1ccc([C@@H]2NC(=O)OC2=O)cc1OC	1772714783	UVLXTLGSLXTGQR-VIFPVBQESA-N	237.211	1.011	50	40	BDGB	
CCCCC/C(C)=C(\C#N)C(=O)NC(N)=S	1709100	IMKIRBUHGADSER-CMDGGOBGSA-N	239.344	1.767	50	40	BDGB	
CC1=C(C#N)C(c2cnc[nH]2)C(C#N)=C(C)N1	19910309	IRLSRABXNHWRQS-UHFFFAOYSA-N	225.255	1.692	50	40	BDGB	
COC(=O)COc1ccc(N=C=O)cc1	114672693	IQNWLYRHVJJSPK-UHFFFAOYSA-N	207.185	1.206	50	40	BDGB	
NC(=O)[C@@H](Br)c1ccccc1	2044720	AHAHDSZRVUVAGH-ZETCQYMHSA-N	214.062	1.608	50	40	BDGB	
C[C@H](Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1	3319099	CQXVMOSWWGTUHF-PRJMDXOYSA-N	205.685	1.250	50	40	BDGB	
O=C(CCl)OCC[C@H]1CCCCN1	42768599	CSQALDUHKJLKDV-MRVPVSSYSA-N	205.685	1.301	50	40	BDGB	
C[C@@]12CN(Cc3ccccc3)C[C@@H]1C(=O)OC2=O	100235370	AZESXJFLIKBPPG-BXUZGUMPSA-N	245.278	1.208	50	40	BDGB	
CC1=C/C(=N\NC(=O)[C@H]2CCCO2)CC1	43971129	VWKUTLUVHQBDSD-WJEYQPDNSA-N	208.261	1.378	50	40	BDGB	
CCc1sc(C(=O)NN)cc1Br	2568930	QXWMGRCTVJVNBN-UHFFFAOYSA-N	249.133	1.677	50	40	BDGB	
COc1ccc(C(=O)Cl)c(OC)n1	39057177	NPFIUEAPXPVWHB-UHFFFAOYSA-N	201.609	1.478	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccccc1[N+](=O)[O-]	97499314	HIGFYIBTPOEZDV-GHXNOFRVSA-N	235.243	1.701	50	40	BDGB	
O=S1(=O)CCC(CBr)CC1	83255450	WGWWKSLWIAUDFQ-UHFFFAOYSA-N	227.123	1.206	50	40	BDGB	in-vitro
Cc1ccc(C(=O)O)cc1CNC(=O)CCl	1431435	VYZGEFRTMAUBAV-UHFFFAOYSA-N	241.674	1.548	50	40	BDGB	
NNC(=O)[C@H]1CCCN(CC2CCCCC2)C1	14628680	KNJUMRGGNBYWIU-LBPRGKRZSA-N	239.363	1.269	50	40	BDGB	
CCOC(=O)/C(C#N)=C(\C)c1ccncc1	33735007	LDRLPKPXMAOPME-PKNBQFBNSA-N	216.240	1.942	50	40	BDGB	
CN(Cc1ccccc1C#N)C(=O)CCl	79418650	TZDQWVNZHULRND-UHFFFAOYSA-N	222.675	1.755	50	40	BDGB	
CC(C)(C)NC(=O)NC(=O)CCCl	12505125	RJKOUHUVRRCMLS-UHFFFAOYSA-N	206.673	1.240	50	40	BDGB	
O=C1C=C(c2cccc(Cl)c2)C(=O)O1	103583400	KCTMGSXRVOLTIB-UHFFFAOYSA-N	208.600	1.807	50	40	BDGB	
CCNC(=S)NNC(=O)C1CCCCC1	8680916	AFOBDGVZJKRQFN-UHFFFAOYSA-N	229.349	1.082	50	40	BDGB	
C=C(Br)CNC(=O)CCl	96528145	JBVRGAROKMYOKD-UHFFFAOYSA-N	212.474	1.250	50	40	BDGB	
Cn1cc(Cl)c(/C=C(\C#N)C(N)=S)n1	163223	VWDFWFWYOPNAAM-GORDUTHDSA-N	226.692	1.267	50	40	BDGB	
N#CC(C#N)=C1NC[C@@H](c2ccccc2)O1	239563100	WKBCLLIFAIYLPC-NSHDSACASA-N	211.224	1.606	50	40	BDGB	
CC[C@H](C)NC(=O)C/C(C)=N\NC(=O)C(C)C	14922877	OWYHDWGZSYDQTC-DCMHDJSWSA-N	241.335	1.439	50	40	BDGB	
O=C1ON=C(CCl)/C1=C\c1ccc[nH]1	34926739	QXULIWKKJJSSJI-QPJJXVBHSA-N	210.620	1.550	50	40	BDGB	
N#CC(C#N)=Cc1cccc(OCC(=O)O)c1	408830936	UAHJEKATTRYRDS-UHFFFAOYSA-N	228.207	1.581	50	40	BDGB	
CC(=O)N(C(C)C)[C@H]1CCN(C(=O)CCl)C1	79417053	DPZITPFSPQERCG-JTQLQIEISA-N	246.738	1.083	50	40	BDGB	
NN[C@@H]1c2ccccc2CC[C@H]1Br	199539321	RDNNJBOPJQATNR-NXEZZACHSA-N	241.132	1.901	50	40	BDGB	
COc1ccc(C#N)cc1NC=C(C#N)C#N	64467577	ZYNDSMGSZULMJZ-UHFFFAOYSA-N	224.223	1.910	50	40	BDGB	
Cc1ncc([N+](=O)[O-])n1CCSC#N	13283653	OABNLNRMSBBTKQ-UHFFFAOYSA-N	212.234	1.314	50	40	BDGB	
CC(=O)NC1(c2noc(CCl)n2)CCCC1	20282662	JCOFSTCWEZNADF-UHFFFAOYSA-N	243.694	1.714	50	40	BDGB	in-vitro
C[C@H](Cl)CN[C@@H]1c2ccccc2C[C@@H]1O	4896531	IGHVMDUYHFBFSO-KPXOXKRLSA-N	225.719	1.862	50	40	BDGB	
NNC(=O)c1cc(C2CC2)cc(C2CC2)n1	38534365	KWBFOLJZQRMWKQ-UHFFFAOYSA-N	217.272	1.440	50	40	BDGB	
Cc1n[nH]c2c1[C@H](CC(C)C)C(C#N)=C(N)O2	6663970	PGBUKEQJTAYWET-MRVPVSSYSA-N	232.287	1.934	50	40	BDGB	
O=C1C2CCN(CC2)[C@@H]1Br	66442641	WZKJMWWSHGWCFF-ZETCQYMHSA-N	204.067	1.002	50	40	BDGB	
C[C@H](Cl)C(=O)NC[C@H]1CCCS1	87668030	MSEMYNPDVDDYNS-NKWVEPMBSA-N	207.726	1.626	50	40	BDGB	
C[C@H](c1cnccn1)N(C)C(=O)CCl	79435566	KWJZYGUOLSGTBN-SSDOTTSWSA-N	213.668	1.235	50	40	BDGB	
CC(=O)N[C@H]1CCC(=O)[C@H](Br)C1	90759689	WBTGJPGTKKCSKY-NKWVEPMBSA-N	234.093	1.008	50	40	BDGB	
N#CC(C#N)=C(C#N)c1ccc2c(c1)OCO2	100228172	OPBOCXWCDCIQGI-UHFFFAOYSA-N	223.191	1.740	50	40	BDGB	
O=C1C[C@H]2[C@@H](C(=O)O)[C@@H]1C[C@H]2Br	2575138	BXXPKNCQABBGDK-FNKGTGPASA-N	233.061	1.060	50	40	BDGB	
Cc1ccc(OCC(=O)NN)c(Cl)c1	66056277	RMYVUBLHPGYXEC-UHFFFAOYSA-N	214.652	1.017	50	40	BDGB	
COc1ccc(OC)c(/C=C(/C#N)C(N)=S)c1	13778157	WWBAZAYNNOWGBI-UITAMQMPSA-N	248.307	1.897	50	40	BDGB	
C[Si]1(C)CC[Si](C)(C)OS(=O)(=O)O1	195752404	BCFOWTSTOIGXBC-UHFFFAOYSA-N	240.429	1.688	50	40	BDGB	
CCO/N=C1/CCC[C@@H]1SS(=O)(=O)O	16922847	VBOAULZTUATPRP-VQKCLUMFSA-N	239.318	1.467	50	40	BDGB	
C[C@H](Cl)C(=O)Nc1ccc2c(c1)OCO2	3316815	YTMODFCWNOUDOG-LURJTMIESA-N	227.647	1.981	50	40	BDGB	in-vitro
O=C(NN=C1CCCC1)c1ccc(O)cc1O	5344238	ZTQWVYRPOZNDKA-UHFFFAOYSA-N	234.255	1.758	50	40	BDGB	
Cc1oc(C(N)=O)cc1C(=O)CCl	68591487	HJUKWZBICSJWGK-UHFFFAOYSA-N	201.609	1.108	50	40	BDGB	in-vitro
IC[C@H]1CCCNC1	72194511	BUNWPAKPJKBKIA-ZCFIWIBFSA-N	225.073	1.421	50	40	BDGB	
Cc1ccc(-c2ncc(C(=O)NN)cn2)cc1	223455920	QXAJOQVJKVNWHI-UHFFFAOYSA-N	228.255	1.056	50	40	BDGB	
Cc1cccc(-n2cccc2C(=O)NN)c1	223723130	ZOKDNRNDCPLTIK-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
CC(=O)N/N=C/c1ccc(Br)cc1	5283461	WZJXUQGOGOHRIO-IZZDOVSWSA-N	241.088	1.919	50	40	BDGB	
C/C(=N/NC(=O)c1cccnc1)c1ccncc1	13659713	LGBILRGITBBGKO-YBEGLDIGSA-N	240.266	1.631	50	40	BDGB	
COc1ccccc1-n1cccc1C(=O)NN	223735484	QWCLSQDREHXZGO-UHFFFAOYSA-N	231.255	1.089	50	40	BDGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(N)=O	408871511	YMNAVWPSAPFFDV-UXBLZVDNSA-N	246.266	1.486	50	40	BDGB	
CN1CCC[C@H](N(C(=O)CCl)C2CC2)C1	79406718	FHOOJYVEWZIHON-JTQLQIEISA-N	230.739	1.310	50	40	BDGB	
O=[P@](O)(c1ccccc1)c1ccccc1O	190550	QJZPQIPHDYWWTI-UHFFFAOYSA-N	234.191	1.613	50	40	BDGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NNC(N)=O	5732644	BVAYWSNJYXABFK-KXUCPTDWSA-N	213.325	1.620	50	40	BDGB	
CC/C=C(C)/C=N\NC(=O)c1ccc[n+](C)c1	17044890	UKMVWVNGSBIBDX-DKHUOXEZSA-O	232.307	1.583	50	40	BDGB	
C/C(=N/NC(=O)c1ccccn1)c1ccco1	13113712	RIALSAWSDNZIDK-ZROIWOOFSA-N	229.239	1.829	50	40	BDGB	
O=C(O)Cc1cccc(NC(=O)CCl)c1	43828304	JEGAALXSTQWCQY-UHFFFAOYSA-N	227.647	1.491	50	40	BDGB	
O=C1N[C@]2(CCCc3ccccc32)C(=O)O1	105641625	YGVGKRQWORJXSH-LBPRGKRZSA-N	217.224	1.485	50	40	BDGB	
CCCCC(=O)NNC(=O)NC1CCCCC1	5458164	ZDOJHHOYOPGWFZ-UHFFFAOYSA-N	241.335	1.840	50	40	BDGB	
Cn1ccc(C(=O)N/N=C\c2cccs2)n1	5888349	ZGQQGKICSXXQES-XFFZJAGNSA-N	234.284	1.246	50	40	BDGB	
NC(=O)N/N=C1/CCCc2ccccc21	17721582	XUKCXUHWMJPPSM-RAXLEYEMSA-N	203.245	1.395	50	40	BDGB	
Cn1cc(SSc2cnn(C)c2)cn1	38342419	YLIDEBOMCPFKEA-UHFFFAOYSA-N	226.330	1.953	50	40	BDGB	in-vitro
CC1(CCl)[N+]([O-])=C2CCCCC2=[N+]1[O-]	19331169	DAQVAKKJJHQIJG-UHFFFAOYSA-N	216.668	1.432	50	40	BDGB	
CN1C[C@@H](c2cccc(O)c2)OC1=C(C#N)C#N	239563252	ZLDAJEYACLZXQL-LBPRGKRZSA-N	241.250	1.654	50	40	BDGB	
NC(=O)N/N=C/c1cccc(Br)c1	3152131	ZUBWQQCVFGMWAF-VZUCSPMQSA-N	242.076	1.451	50	40	BDGB	
O=C1CCCN1C[C@@H](Cl)CN1CCCCC1	506267	GQDVMGHRZNTXLX-NSHDSACASA-N	244.766	1.702	50	40	BDGB	
O=C(Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1	100253969	ANLIRQCCCSNMMO-UHFFFAOYSA-N	229.575	1.266	50	40	BDGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1ccco1	12900192	IKWLNAYFLXJWQX-VIFPVBQESA-N	234.255	1.397	50	40	BDGB	
Cc1cc(C(=O)NN(C)C)ccc1[N+](=O)[O-]	8032853	RKFFUYWYXLAMBL-UHFFFAOYSA-N	223.232	1.110	50	40	BDGB	
C[C@@H](c1ccccc1)[C@H]1CC(=O)OC1=O	97950389	PWSNISILRLHKNE-WCBMZHEXSA-N	204.225	1.880	50	40	BDGB	
C#CCn1cc(/C=N\NC(C)=O)c2ccccc21	32109732	BRTWCDOJLBTGIY-DHDCSXOGSA-N	239.278	1.745	50	40	BDGB	
CSc1nccnc1CN(C)C(=O)CCl	79435469	YZYRRTSSMYYTMI-UHFFFAOYSA-N	245.735	1.396	50	40	BDGB	
NN[C@H]1c2ccccc2CC[C@@H]1Br	199539336	RDNNJBOPJQATNR-UWVGGRQHSA-N	241.132	1.901	50	40	BDGB	
NC(=O)N/N=C/CC(=O)c1ccc(F)cc1	16400681	SISPJMGNEXYKFU-AWNIVKPZSA-N	223.207	1.053	50	40	BDGB	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)O)cc1	16321150	SHHUTXKPXXYFFJ-UXBLZVDNSA-N	230.223	1.637	50	40	BDGB	
Cc1cc(Br)cc(Cl)c1B(O)O	169995296	SPIPLXMVACHIIZ-UHFFFAOYSA-N	249.300	1.091	50	40	BDGB	
CCN(CC)C(=S)SS(C)(=O)=O	1694102	SFOIKXZFQYFFMG-UHFFFAOYSA-N	227.376	1.306	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(=O)N/C=N/O)cc1	15957120	LVRIUZAILUDCAT-UXBLZVDNSA-N	245.238	1.136	50	40	BDGB	
CC(C)N(C[C@H]1CCCCN1C)C(=O)CCl	79406650	LSSBVQZQPOPFBE-LLVKDONJSA-N	246.782	1.947	50	40	BDGB	
O=C1COc2c(CBr)cccc2N1	228943078	UQDZQJHNDWLZSJ-UHFFFAOYSA-N	242.072	1.912	50	40	BDGB	
COc1ccc(/C=N/NC(C)=O)c(OC)c1	5283465	RGASDYYYJHMGAR-KPKJPENVSA-N	222.244	1.174	50	40	BDGB	
Cc1cc(C)cc(NC(=S)NNC=O)c1	16970685	AJCDAEVFBMROKN-UHFFFAOYSA-N	223.301	1.251	50	40	BDGB	
OB(O)c1ccc(-c2cccc(Cl)c2)cc1	196398573	MHTJADAVSSOHSH-UHFFFAOYSA-N	232.475	1.687	50	40	BDGB	
COC(=O)NNC(=S)Nc1cccc(C)c1	5656575	LUQBMYMVSWWQME-UHFFFAOYSA-N	239.300	1.552	50	40	BDGB	
CC/C(C)=N\NC(=O)CC(=O)N/N=C(/C)CC	17024163	SKERPTVEPVHJKY-JMVBYTIWSA-N	240.307	1.181	50	40	BDGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccn[nH]1	30742786	LGGZTPICDSRQMD-AUWJEWJLSA-N	232.218	1.313	50	40	BDGB	
COc1cc(NC(=O)CCl)ccc(=O)c1	1734407	PNRQXRJHRPVJHE-UHFFFAOYSA-N	227.647	1.233	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1	59333454	QIXJDHLZVTXJEG-FLIBITNWSA-N	200.241	1.682	50	40	BDGB	
O=C(CCl)Nc1cc(-c2cnccn2)no1	96525887	FIYPOJJPJIVLRC-UHFFFAOYSA-N	238.634	1.309	50	40	BDGB	
O=NN(CCCl)C(=O)NC1CCC(O)CC1	5133452	BTNKSMIZKSHDNT-UHFFFAOYSA-N	249.698	1.222	50	40	BDGB	
C/C(=N\NC(N)=O)[C@H]1[C@@H]2C[C@@H]3[C@@H]1[C@@H]3[C@@H]2Cl	104073192	YABHNBJBEIKGSH-BOAYREFDSA-N	227.695	1.150	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1cccc(F)c1	11638426	PRRNWQIJPOFYQT-UHFFFAOYSA-N	224.235	1.243	50	40	BDGB	
CC(=O)Oc1c(C)cc([N+](=O)[O-])cc1CO	216771437	HSQDQBQXTZZSLZ-UHFFFAOYSA-N	225.200	1.321	50	40	BDGB	
C[C@](C#N)(CCl)OS(=O)(=O)CCCl	1605203	WNCULAUEBCYBJK-ZCFIWIBFSA-N	246.115	1.093	50	40	BDGB	
CCCCC#CCOC[C@@H](O)CCl	1760957	CPZOLJNZOUPWGJ-JTQLQIEISA-N	204.697	1.796	50	40	BDGB	
CC[C@H](C)Oc1ccccc1/C=N\NC(N)=O	408605283	YDKCBZWEGZBZCE-JNNKLVPLSA-N	235.287	1.866	50	40	BDGB	
O=CNNC(=S)Nc1ccc(F)c(Cl)c1	16973459	QPLLWXPPAOITLM-UHFFFAOYSA-N	247.682	1.427	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\c1ccsc1	96765711	SIXOBLQYLIKFRB-YWEYNIOJSA-N	213.283	1.657	50	40	BDGB	
Cc1cc(C)cc(C[C@H]2CC(=O)OC2=O)c1	97957241	PURGAZYZLOQULI-NSHDSACASA-N	218.252	1.936	50	40	BDGB	
C/C(=N\NC(=O)c1cc(C)n[nH]1)c1cccnc1	19825484	BWVWSJPOYKXRKG-OQLLNIDSSA-N	243.270	1.267	50	40	BDGB	
CCSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	4905951	ZKGPBQJXEZYPEG-SSDOTTSWSA-N	235.312	1.770	50	40	BDGB	
COC(=O)[C@H](C)Oc1ccc(N=C=O)cc1	114671720	CCRIROCKDLFHRJ-QMMMGPOBSA-N	221.212	1.594	50	40	BDGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1	59515358	IJONZWPJKNLZGI-GMROUXNLSA-N	248.282	1.082	50	40	BDGB	
O=C(NNC(=O)C(Cl)Cl)c1ccccc1	6578647	DOOTWISQOYOCKS-UHFFFAOYSA-N	247.081	1.251	50	40	BDGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(N)=S)cc1	33738901	HZYVPWHMWWYUNQ-UXBLZVDNSA-N	246.291	1.805	50	40	BDGB	
CC(C)(O)C(=O)N/N=C/c1ccc(F)cc1	32578402	BCORNICMNNZLPI-NTUHNPAUSA-N	224.235	1.047	50	40	BDGB	
O=C(N/N=C/c1ccccc1O)c1cccnc1	254698	OKDDWARZPQNZRT-OQLLNIDSSA-N	241.250	1.551	50	40	BDGB	
Cc1cccc(/C=C(\C#N)C(N)=S)n1	107847958	JBNDOTSPESZFND-VMPITWQZSA-N	203.270	1.583	50	40	BDGB	
CC(=O)Nc1ccc(NC=C(C#N)C#N)cc1	2549876	SQYVKGJPHHIZGP-UHFFFAOYSA-N	226.239	1.988	50	40	BDGB	
O=C(N/N=C/c1ccccc1F)C1CC1	3576610	NXCYHTDRCIMXMG-NTUHNPAUSA-N	206.220	1.686	50	40	BDGB	
C[C@@H](O)C(=O)N/N=C/c1ccccc1Cl	38817901	GLTZQRQKBBRZGK-LFKKQGMHSA-N	226.663	1.171	50	40	BDGB	
CC(C)(C)OC(=O)N1C=C(C=O)OCC1	1531865124	PAPXPRYDOUKRGI-UHFFFAOYSA-N	213.233	1.294	50	40	BDGB	
C[C@H]1CN(CCBr)C[C@H](C)O1	40989703	FZUMZQZVVFIUOM-YUMQZZPRSA-N	222.126	1.491	50	40	BDGB	
COc1cccc(C(=O)O/N=C(\N)CCl)c1	8552866	DZYZIVAPFPOZAR-UHFFFAOYSA-N	242.662	1.363	50	40	BDGB	
O=C(CBr)OC[C@@H]1CCCO1	5600396	HONCKUXBCCXBBB-LURJTMIESA-N	223.066	1.104	50	40	BDGB	
CCCNC(=O)NNC(=O)c1ccc(C)cc1	13998058	DYEVCEPPLQZYRS-UHFFFAOYSA-N	235.287	1.349	50	40	BDGB	
COC(=O)c1cccc([C@H](Cl)C(=O)OC)c1	83255197	KTOABCRNHOSVKZ-VIFPVBQESA-N	242.658	1.926	50	40	BDGB	in-vitro
NNC(=O)Nc1cccc2ccccc12	6942731	SWMKZCMHVOUQQC-UHFFFAOYSA-N	201.229	1.835	50	40	BDGB	
COc1[nH]c2ccccc2c1/C=C(\C#N)C(N)=O	5915259	OWCGIPZQKGCPIG-SOFGYWHQSA-N	241.250	1.569	50	40	BDGB	
Cc1nc(C#N)c(NNC(=O)c2ccccc2)o1	35681824	DPFSCOATDOCCQO-UHFFFAOYSA-N	242.238	1.612	50	40	BDGB	
CN(C)CCCI	33068355	IWUNSWAWXUHGSB-UHFFFAOYSA-N	213.062	1.373	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1cccs1	320245	FDSKNKCYJIIEMA-UHFFFAOYSA-N	212.274	1.165	50	40	BDGB	
CN(C)c1ccc([C@H]2NC[C@@H](CCl)O2)cc1	36097605	AGJRWWYVQQFNKV-NEPJUHHUSA-N	240.734	1.978	50	40	BDGB	
C=CCN(CC=C)/C(SC)=C(/C#N)C(N)=O	3126326	HTQDLWLDOAPRRN-PKNBQFBNSA-N	237.328	1.244	50	40	BDGB	
COc1cccc(/C=C/C(C)=N\NC(N)=O)c1	5831082	DYBUEYNUGBEMAS-XQZMZFSGSA-N	233.271	1.753	50	40	BDGB	
CC/C=N/NC(=O)c1cc(O)ccc1O	40488478	YSHIZOKFXFJSPR-VZUCSPMQSA-N	208.217	1.223	50	40	BDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Cl)C(=O)C2=O	100260026	GCTJEIHNDXCZIY-GHMZBOCLSA-N	228.675	1.716	50	40	BDGB	
C[C@@]12C(=O)OC(=O)[C@@]1(C)[C@H]1C=C[C@H]2CC1	104125492	UHRNOXDFVDHLIG-LDDIKCJXSA-N	206.241	1.678	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)C2CCCC2)cc1	3555168	FSLCBHYJFHQHJF-UHFFFAOYSA-N	246.310	1.946	50	40	BDGB	
Cc1ncsc1CN(C)C(=O)CCl	82631779	NWAJHKWTGQBJLX-UHFFFAOYSA-N	218.709	1.649	50	40	BDGB	
COC(=O)c1cc2n(n1)CCC[C@@H]2Cl	98212411	YVUALGJVWLISHD-LURJTMIESA-N	214.652	1.743	50	40	BDGB	
COC(=O)c1ccc(C#N)nc1CCl	96515809	UMHHKHNSIIVOAP-UHFFFAOYSA-N	210.620	1.479	50	40	BDGB	
CCCCC[C@H]1C[C@H](O)C=C(C)[C@@H]1C(=O)NN	5156277	PPCFHJICCBNMPT-TUAOUCFPSA-N	240.347	1.500	50	40	BDGB	
N#CNC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	5766297	HYMLLCTWFJURDV-SNVBAGLBSA-N	238.250	1.096	50	40	BDGB	
O=C(CCl)NNc1ncnc2sccc12	160057	AEIVBZRRJCMYOV-UHFFFAOYSA-N	242.691	1.373	50	40	BDGB	
O=C(NCCBr)c1ccc(F)cc1	2382843	USSCXDBIFDPAHR-UHFFFAOYSA-N	246.079	1.950	50	40	BDGB	
CN(C)C(=O)N(C)/N=C\c1ccc([N+](=O)[O-])o1	8580440	XUHGGWOYHOSEFF-POHAHGRESA-N	240.219	1.135	50	40	BDGB	
Cc1cc(C)n(CCOCCCl)n1	4992578	PCBUUPGQRUXOKI-UHFFFAOYSA-N	202.685	1.755	50	40	BDGB	
N#CC(C#N)=CN1CCc2cc([N+](=O)[O-])ccc21	73116008	CUXFQNJLPRONSZ-UHFFFAOYSA-N	240.222	1.888	50	40	BDGB	
NNC(=O)[C@@]1(c2cccnc2)CCCCS1	72220171	LZHKVNCBTXSVIJ-NSHDSACASA-N	237.328	1.184	50	40	BDGB	
C#CCO[C@@H]1CCC[C@H]1Br	39118004	SQQPFWGVBRZKRC-HTQZYQBOSA-N	203.079	1.952	50	40	BDGB	
CN(NC(=O)C1CCNCC1)c1ccccc1	228922291	JKEONJBEXYWCIC-UHFFFAOYSA-N	233.315	1.154	50	40	BDGB	
CCCCn1cnc2nc(CCl)cc(=O)n21	41077912	NFJFVZLCGPMNPO-UHFFFAOYSA-N	240.694	1.430	50	40	BDGB	
N#CCCN(CC(F)(F)F)C(=O)CCl	257197588	DKOBLBQTLBEKOY-UHFFFAOYSA-N	228.601	1.530	50	40	BDGB	
Cc1cccc(/C=N/NC(=O)c2cnccn2)c1	351713	JYAHMVIBMCUQEN-LZYBPNLTSA-N	240.266	1.549	50	40	BDGB	
O=NN(CCF)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2	100432639	LESTWYVGWLZSMR-HLTSFMKQSA-N	229.255	1.838	50	40	BDGB	
O=C(CCl)NC(=O)Nc1ccccc1F	3399082	PIHDYGGFNFGFRP-UHFFFAOYSA-N	230.626	1.713	50	40	BDGB	in-vitro
Nc1ccccc1C(=O)N/N=C\c1cccnc1	31769559	XMJUQMHMQHYYSZ-SXGWCWSVSA-N	240.266	1.428	50	40	BDGB	
Cn1ccc(C(=O)N/N=C/c2ccccc2)n1	247254	CIKRUJBVLAQBNU-UKTHLTGXSA-N	228.255	1.184	50	40	BDGB	
CN(Cc1cc(C#N)ccc1F)C(=O)CCl	37654209	RRVPVFAVKWOYAI-UHFFFAOYSA-N	240.665	1.895	50	40	BDGB	in-vitro
CCC(=O)n1c(C)c(C(=O)NN)c2ccccc21	216949004	KKDCDENAWVEYJU-UHFFFAOYSA-N	245.282	1.603	50	40	BDGB	
O=S(=O)(O)c1cccc(F)c1CCCl	199759205	PSSFUJZWAHVTPA-UHFFFAOYSA-N	238.667	1.854	50	40	BDGB	
OC(COCCCCl)COCCCCl	1083807940	GDCYGGNAVBKIEC-UHFFFAOYSA-N	245.146	1.638	50	40	BDGB	
CC1=C/C(=N\NC(N)=O)[C@@H]2C[C@H]1C2(C)C	4837602	AMCLRNJZSCFOAC-KQEMOUSFSA-N	207.277	1.633	50	40	BDGB	
CCOC(=O)C(C#N)=C1C[C@H](C)O[C@H](C)C1	18084252	ZJUCFKMSYJGSFT-DTORHVGOSA-N	223.272	1.957	50	40	BDGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NN)cc1	59522265	LKVVHFYWPNPZKU-UHFFFAOYSA-N	235.287	1.275	50	40	BDGB	
O=C(NNc1ncccn1)[C@@H]1C[C@@H]1c1ccco1	49376545	ROAWBSUKCWZRIF-DTWKUNHWSA-N	244.254	1.316	50	40	BDGB	
CC(/C=C\c1ccccc1)=N\NC(=O)CN(C)C	31959395	IHGZNSZPOZABHV-IFBDVHKASA-N	245.326	1.754	50	40	BDGB	
CCCc1sc(C(=O)NN)cc1Cl	85393277	YQGAOSKXAYXCMJ-UHFFFAOYSA-N	218.709	1.958	50	40	BDGB	
CCOc1ccc(/C=C/C(=O)NN)cc1Cl	226361167	MEQKNSDYIJNHMC-GQCTYLIASA-N	240.690	1.742	50	40	BDGB	
COc1cccc2[nH]nc(C(=O)Cl)c12	89195827	ZZCPAKDMDWZJLL-UHFFFAOYSA-N	210.620	1.951	50	40	BDGB	
N#C/C(=C\c1c(F)cccc1Cl)C(N)=O	256271	LGFNVDZPPWHKSL-GQCTYLIASA-N	224.622	1.871	50	40	BDGB	
C[C@H](O)C(=O)N/N=C/c1ccc(Cl)cc1	3178976	FQUGNYIHOLVFLJ-NYYVKIQXSA-N	226.663	1.171	50	40	BDGB	
O=C(OCCCl)[C@@H]1C[C@@H]2C=C[C@@H]1C2	104106338	FWONCFOUESAYJK-IWSPIJDZSA-N	200.665	1.981	50	40	BDGB	
CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	31729739	YIMVRFAFPGMLJI-POHAHGRESA-N	207.189	1.065	50	40	BDGB	
COC(=O)CCC[C@@H]1O[C@H]1/C=C/C=C/C=O	39170171	VNDZNEGDVPXXAI-YVPVWAGGSA-N	224.256	1.408	50	40	BDGB	
COC(=O)Cn1c(C)cc(C(=O)CCl)c1C	36905480	GREGJLWAOFZOPE-UHFFFAOYSA-N	243.690	1.699	50	40	BDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O	14944539	WVRIVHWJJWXSTM-VMPITWQZSA-N	218.168	1.586	50	40	BDGB	
CCOc1ccc(/C(C)=N/NC(C)=O)cc1	5336236	ZWSFCSUFKJFNTG-UKTHLTGXSA-N	220.272	1.945	50	40	BDGB	
COc1ccc2[nH]c(C)c(CC(=O)NN)c2c1	1685317	DWYZXBHYLPJADU-UHFFFAOYSA-N	233.271	1.017	50	40	BDGB	
O=C(CCl)N1CCC(N2CCCCC2)CC1	4384200	KETHBBKMZKINSV-UHFFFAOYSA-N	244.766	1.702	50	40	BDGB	
C[C@@H](Cl)C(=O)N1CCc2ncccc2C1	37484100	MJHFBFFKKHRFCS-MRVPVSSYSA-N	224.691	1.594	50	40	BDGB	
O=C(CCl)NC[C@H]1OCCc2ccccc21	4525679	LRCKFQHZVKQSEV-LLVKDONJSA-N	239.702	1.655	50	40	BDGB	
CCOC(=O)/C(C#N)=C1\NCCc2ccccc21	82307387	GICUYZUTLRYKFU-SEYXRHQNSA-N	242.278	1.630	50	40	BDGB	
N#CC(C#N)=C1C(=O)c2ccccc2C1=O	62100	WQFLMIPTYDGFOB-UHFFFAOYSA-N	208.176	1.409	50	40	BDGB	in-vitro
Cc1cccc(/C=N/NC(=O)C2CC2)c1	2779980	ANDRYMHAHFHPJK-MDWZMJQESA-N	202.257	1.855	50	40	BDGB	
COC(=O)/C(C#N)=C1\Nc2ccccc2O1	100983756	DKEUJERZQFIORU-JXMROGBWSA-N	216.196	1.399	50	40	BDGB	
O=C(N/N=C\c1ccc(O)cc1O)c1ccco1	17421009	OZYMOWRUCWVBSL-QPEQYQDCSA-N	246.222	1.455	50	40	BDGB	
CCO/C=N/NC(=O)c1n[nH]c2ccccc12	5501957	YKTNLCDIHSAWPQ-KPKJPENVSA-N	232.243	1.273	50	40	BDGB	
CC[C@@H](C)NC(=O)[C@H](C)Br	34196688	HFJATYJXQDZHGW-RITPCOANSA-N	208.099	1.685	50	40	BDGB	
IC[C@@H]1CCCNC1	72194512	BUNWPAKPJKBKIA-LURJTMIESA-N	225.073	1.421	50	40	BDGB	
N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1O	16385830	VNLUROMSJZFPEU-UHFFFAOYSA-N	215.168	1.731	50	40	BDGB	
C/C(CCCC(C)(C)C(=O)O)=N/NC(N)=O	5503174	HRABMMNMWMJDBA-GHXNOFRVSA-N	229.280	1.312	50	40	BDGB	
CCO[C@H]1OCCC[C@H]1Br	1615495	MKDZXJPQACWMSP-RQJHMYQMSA-N	209.083	1.923	50	40	BDGB	
CS(=O)(=O)SCCCCCCN	2583512	QQTKDKKEMRTNAO-UHFFFAOYSA-N	211.352	1.198	50	40	BDGB	in-vitro
O=P(N1CCCCCC1)(N1CC1)N1CC1	8214577	ZCBLIQKVTTZLAH-UHFFFAOYSA-N	229.264	1.602	50	40	BDGB	
O=C1[C@H]2[C@@H]3C[C@H]4[C@H]2[C@H]2[C@@H](Br)[C@H]4[C@H]3[C@H]12	102942844	AMHCEXBDUDDEPZ-JPXRLJKKSA-N	239.112	1.707	50	40	BDGB	
CC[C@]12C[C@@H](Br)[C@@H](C1)OC2=O	104147078	VHORWKDEFXZKPP-JKMUOGBPSA-N	219.078	1.866	50	40	BDGB	
O=C(Cl)[C@H]1CC(=O)N(c2cccc(F)c2)C1	26422933	OTOXDWLCODITIJ-ZETCQYMHSA-N	241.649	1.944	50	40	BDGB	
CC(C)(C)CC(=O)NNC(=O)Cc1ccccc1	9336088	HGAYBWUWTCTOPP-UHFFFAOYSA-N	248.326	1.813	50	40	BDGB	
CCCNC(=O)N/N=C1/CCn2cccc21	95955783	OSWSQOLNWIWEEI-LCYFTJDESA-N	220.276	1.305	50	40	BDGB	
CC[C@@H](C)Oc1ccccc1/C=N\NC(N)=O	408605285	YDKCBZWEGZBZCE-ZJTXEKFPSA-N	235.287	1.866	50	40	BDGB	
NNC(=O)/C=C/c1ccc(N2CCCCC2)cc1	216943061	AVBYHKBDIODUEX-RMKNXTFCSA-N	245.326	1.680	50	40	BDGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@H]3O[C@H]3C2)O1	254380798	NBDKOJSGJIGOBM-VFCFLDTKSA-N	218.680	1.534	50	40	BDGB	
COc1cc(/C=C/C=O)cc2c1OCCO2	86207993	QOFZRNWPYIECJZ-NSCUHMNNSA-N	220.224	1.679	50	40	BDGB	
CN(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CCl	101676939	AMOBYPIAMRDTSV-GHMZBOCLSA-N	244.766	1.747	50	40	BDGB	
CN(C)c1ccc(/C=C(\C#N)C(N)=S)cc1	1562525	RYCMWLHJBKLTHR-JXMROGBWSA-N	231.324	1.946	50	40	BDGB	
Cc1cccc([C@H](O)[C@@H](Cl)S(C)(=O)=O)c1	96518890	HUVAKZASXOADTD-UWVGGRQHSA-N	248.731	1.638	50	40	BDGB	
C/C=C(\C)C(=O)N/N=C/c1cccc(OC)c1O	1578162	QAKBMXFHYAQRRC-PEMJXRNESA-N	248.282	1.817	50	40	BDGB	
O=c1cc(CCl)nc2[nH]c3ccccc3n12	100431778	VJPXGCKHJLCJKQ-UHFFFAOYSA-N	233.658	1.915	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	59333595	LREREMORUFWVAM-YFHOEESVSA-N	218.231	1.821	50	40	BDGB	
C#CCn1cc(/C=N/NC(N)=O)c2ccccc21	107779761	XFZXQTDXARWDGG-OVCLIPMQSA-N	240.266	1.277	50	40	BDGB	
CN(C)/C=C(/C#N)C(=O)Nc1cccc(F)c1	57352087	XDFFQTGVACRSKQ-HJWRWDBZSA-N	233.246	1.733	50	40	BDGB	
CC1=C/C(=N/NC(N)=O)c2ccccc2C1=O	104356061	AAZZXNUFSZLZGL-UVTDQMKNSA-N	229.239	1.202	50	40	BDGB	
Cc1ccc(-n2cc(C(=O)NN)c(C)n2)cc1	226258246	JUIARTXBGCIMHE-UHFFFAOYSA-N	230.271	1.093	50	40	BDGB	
CC(=O)OC(/C=C/c1ccccc1)=N\NC(N)=O	100365553	FTSISXQSWDORNE-UWWXTLEHSA-N	247.254	1.245	50	40	BDGB	
NNC(=O)CC1CCN(Cc2ccccc2)CC1	15423848	UYRPCUXZUVHBPY-UHFFFAOYSA-N	247.342	1.279	50	40	BDGB	
C[C@H](Cl)CN[C@H]1c2ccccc2C[C@@H]1O	1596649	IGHVMDUYHFBFSO-UWJYBYFXSA-N	225.719	1.862	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-]	5510621	LJIGRDXCIMUCHL-TWGQIWQCSA-N	232.195	1.675	50	40	BDGB	
C/C=C(\C)C(=O)N/N=C\c1cccnc1	31769563	NWCFRBCENZSHIF-JHEHZKLWSA-N	203.245	1.498	50	40	BDGB	
O=C(N=c1cns[nH]1)NNc1ccccc1	409191064	ZGHCJNWEVLTVFI-UHFFFAOYSA-N	235.272	1.109	50	40	BDGB	
C[C@@H](Br)C(=O)NC1CCOCC1	72207547	AWYDMQVLLXNFMT-ZCFIWIBFSA-N	236.109	1.065	50	40	BDGB	
CCN(C[C@H]1CCCN(C)C1)C(=O)CCl	79406571	GDKXQDKKTZXTRK-JTQLQIEISA-N	232.755	1.416	50	40	BDGB	
CCO[Si](COC(C)=O)(OCC)OCC	196075461	CSDVDSUBFYNSMC-UHFFFAOYSA-N	236.340	1.137	50	40	BDGB	
CCOC(=O)c1cc(/C=C/C=O)oc1N	1730229	NTINSOYJHXWVIL-ONEGZZNKSA-N	209.201	1.251	50	40	BDGB	
O=C1c2ccccc2C(=O)N1CC#CCCl	1672485	TXNDRPKNOXQAAO-UHFFFAOYSA-N	233.654	1.525	50	40	BDGB	
CN1[C@@H]2CC[C@@H]1CC(OC(=O)CCl)C2	100001807	VWTGJYAUYFEGMB-HTQZYQBOSA-N	217.696	1.394	50	40	BDGB	
O=C(CCl)N1CCN=C1c1ccccc1	20509853	VAIBPCKVQSBDCY-UHFFFAOYSA-N	222.675	1.514	50	40	BDGB	
Cc1ccsc1CNC(=O)CCl	68583570	KXPIAJPVRHFHTF-UHFFFAOYSA-N	203.694	1.912	50	40	BDGB	
N#CC(C#N)=C1CC[C@H](Br)C(=O)C1	16137605	RWUWICJZQFSUES-QMMMGPOBSA-N	239.072	1.847	50	40	BDGB	
C[C@H]1CCC[C@H](C)N1NC(=O)NCCCl	1623536	NLEASRWRTNQMEE-IUCAKERBSA-N	233.743	1.702	50	40	BDGB	
O=C(NNC(=O)c1ccccn1)c1ccsc1	32726812	QQYGATITLPGJGV-UHFFFAOYSA-N	247.279	1.218	50	40	BDGB	
O=C(NNC(=O)c1ccccc1O)c1ccco1	199692	CZOHGESVLJJDSL-UHFFFAOYSA-N	246.222	1.060	50	40	BDGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@H]12)c1ccncc1	20754355	RZILNFWTGIFZHJ-QPYWVZODSA-N	227.267	1.763	50	40	BDGB	
Cc1cc(Cl)c(OCC(=O)NN)cc1C	216908084	YFQYOSPVCXMPIM-UHFFFAOYSA-N	228.679	1.326	50	40	BDGB	
CN(C)C[C@H]1CCCN(C(=O)CCl)C1	79419111	QAMAGDODMZTMKF-SECBINFHSA-N	218.728	1.025	50	40	BDGB	
O=C(O)C12C3C4C1C1C2C3C41CBr	329780333	BHUROMPFECPQSB-UHFFFAOYSA-N	241.084	1.204	50	40	BDGB	
COC(=O)CSS[C@H](C)C(=O)OC	17378695	QEMMLINDZRMNRI-RXMQYKEDSA-N	224.303	1.102	50	40	BDGB	
CCOC(=O)C(=O)NNc1ccccc1Cl	2273756	NDKYUHRXHUEKTJ-UHFFFAOYSA-N	242.662	1.346	50	40	BDGB	
COc1cc(/C=C(\C#N)C(=O)O)ccc1O	122665	VBHMEVXDNSXEME-XBXARRHUSA-N	219.196	1.392	50	40	BDGB	
C[C@]12C[C@@H](C(C#N)=C(N)N1)c1ccccc1O2	100515930	MFJLVQPMXNDGLJ-RNCFNFMXSA-N	227.267	1.566	50	40	BDGB	
CC(=O)N(C)[C@H]1CC[C@H](NC(=O)CCl)CC1	100178607	BTUIUJUFZFTTFF-AOOOYVTPSA-N	246.738	1.131	50	40	BDGB	
CN(C)P(=O)(N(C)C)N1CCCCC1	104201857	DQIWIYFNYHYWPW-UHFFFAOYSA-N	219.269	1.704	50	40	BDGB	
Cc1n[nH]c2c1[C@H](c1ccoc1)C(C#N)=C(N)O2	5125981	IREIAQOBAHYIFK-SNVBAGLBSA-N	242.238	1.529	50	40	BDGB	
COc1ccc(/C=N/NC(=O)C2CC2)cc1OC	511175	BTAURJPUFAQUDT-RIYZIHGNSA-N	248.282	1.564	50	40	BDGB	
O=C(NNC(=O)c1ccco1)c1cccc(O)c1	5749986	QCKVQIIBTKBQRD-UHFFFAOYSA-N	246.222	1.060	50	40	BDGB	
N#C/C=C(\N)N1CCN(c2ccccc2)CC1	100420067	HEKBLZZEBXHMMX-AWNIVKPZSA-N	228.299	1.132	50	40	BDGB	
Cc1nc(-c2ccccc2)ccc1C(=O)NN	231744	ZVJCPUDNVIFAPQ-UHFFFAOYSA-N	227.267	1.661	50	40	BDGB	
C/C(=N/NC(N)=O)C(=S)Nc1ccccc1	68572194	XAMSIGGPFIOENJ-QPEQYQDCSA-N	236.300	1.470	50	40	BDGB	
Cc1ccc(C(=O)[C@H](Cl)S(C)(=O)=O)cc1	96517763	SYKHEUQJAIQDLQ-SNVBAGLBSA-N	246.715	1.787	50	40	BDGB	
CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	1558282	VPKVLOQKXKHSRZ-UXBLZVDNSA-N	207.189	1.065	50	40	BDGB	
Cn1cnc([N+](=O)[O-])c1SCCCl	2372070	GBGGSOBODNIMHK-UHFFFAOYSA-N	221.669	1.659	50	40	BDGB	
COc1ccc([C@@H]2NC[C@@H](CCl)O2)cc1	20248309	YUXWKIZJLDPWOG-GHMZBOCLSA-N	227.691	1.921	50	40	BDGB	
O=C(CCl)N[C@H]1CCOc2ccccc21	4206231	NSLMBOGOVJIBJG-VIFPVBQESA-N	225.675	1.865	50	40	BDGB	in-vitro
CC(=O)NCc1ccc(C(=O)[C@H](C)Cl)o1	7814935	USJXRMSQAUJOMB-LURJTMIESA-N	229.663	1.726	50	40	BDGB	in-vitro
O=c1[nH]c(CBr)nc2ccccc12	17013531	RWRLZXCEYLXJSO-UHFFFAOYSA-N	239.072	1.818	50	40	BDGB	
CCc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)cc1	18095411	AVTQTVFOHNBPAQ-CABZTGNLSA-N	246.310	1.666	50	40	BDGB	
N#Cc1nn(CCCl)c(=O)c2ccccc12	1679222	BPHZOZIQTOMJIQ-UHFFFAOYSA-N	233.658	1.507	50	40	BDGB	
C[C@@H](Cc1ccccc1)NNC(=O)CC#N	2046297	VWXNEVMMUJWVOP-JTQLQIEISA-N	217.272	1.152	50	40	BDGB	
C/C=C(\C)C(=O)N/N=C\c1cccc(OC)c1O	104220340	QAKBMXFHYAQRRC-SPXKZTEESA-N	248.282	1.817	50	40	BDGB	
CC(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)CCl	79416998	MFDRIYREDBHJTD-VHSXEESVSA-N	246.738	1.131	50	40	BDGB	
C/C(=C\C=N/NC(N)=O)c1ccccc1	17174393	RLOGXRXJCMJVRS-YWHQTXNISA-N	203.245	1.744	50	40	BDGB	
CCC[C@@H](C(=O)NN)N1C[C@@H](C)C[C@@H](C)C1	22123605	QDLVTGWISNJXDD-AXFHLTTASA-N	227.352	1.123	50	40	BDGB	
O=c1cc([C@@H]2CCCO2)nc(CCl)[nH]1	72209929	JHCLDFQFWYJSOS-ZETCQYMHSA-N	214.652	1.360	50	40	BDGB	
CO/C(N)=C(C#N)/N=C/c1cccs1	18054801	VBRVHHPCSYPPGE-UYVFLQAESA-N	207.258	1.465	50	40	BDGB	
CC(C)=NNC(=O)c1cccc([N+](=O)[O-])c1	242692	OGESSHUKECFQTR-UHFFFAOYSA-N	221.216	1.720	50	40	BDGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NN)c1	2643603	PFPJVXGBXBASMK-UHFFFAOYSA-N	235.287	1.012	50	40	BDGB	
O=C(COc1ccccc1)OCCCl	1566486	DOHMOKZZEYNNHH-UHFFFAOYSA-N	214.648	1.847	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CC=CCC2)n1	22233981	ISQCCFPGVGUSGA-NSHDSACASA-N	246.314	1.893	50	40	BDGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OC	7895002	LTAJEHVMVVKVLN-NTUHNPAUSA-N	237.259	1.096	50	40	BDGB	
COC(=O)C(=O)[C@H](Cl)c1ccccc1	36420837	LQGLOOLNAIZIIW-MRVPVSSYSA-N	212.632	1.709	50	40	BDGB	
C[C@H](/C=N/NC(N)=O)Cc1ccc2c(c1)OCO2	4828693	GTGQHWTUTNWXPW-RQTLQMQPSA-N	249.270	1.248	50	40	BDGB	
C[C@H](Cl)C(=O)NNC(=O)c1ccccc1F	95883592	RVACGMVKMPLCPD-LURJTMIESA-N	244.653	1.214	50	40	BDGB	
COc1ccc(/C(C)=N/NC(N)=O)cc1OC	5480035	JRDJZNDBKMGRFT-NTUHNPAUSA-N	237.259	1.096	50	40	BDGB	
CC(C)C(=O)NNC(=O)Cc1ccccc1	12346596	FYNNFFKDDDENEF-UHFFFAOYSA-N	220.272	1.033	50	40	BDGB	
Cc1cccc(C(=O)C/C=N/NC(N)=O)c1	16349052	GTHULMOIQOSQGL-AWNIVKPZSA-N	219.244	1.222	50	40	BDGB	
CC1(C)[C@@H](NC(=O)CCl)CCN([O])C1(C)C	1569992320	YDRQQOQCUNYYKJ-QMMMGPOBSA-N	247.746	1.566	50	40	BDGB	
ClCCN1C[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	5850108	UIPUARKPNVOVFC-AATLWQCWSA-N	201.697	1.334	50	40	BDGB	
CC1=C(C#N)C(=O)O[C@]1(C)[C@H]1CCCC(=O)C1	1609372	DLLWHTLDYNASMT-ZANVPECISA-N	233.267	1.901	50	40	BDGB	
O=C(CCl)c1ccc2[nH]c(=O)ccc2c1	39309016	ZDZLUAJGHKSFEJ-UHFFFAOYSA-N	221.643	1.950	50	40	BDGB	
CCc1cccc(C)c1-n1ccc(C(=O)NN)c1	223734065	QZVXNXPHXFEPHP-UHFFFAOYSA-N	243.310	1.952	50	40	BDGB	
CCc1ccc(C(=O)NN)n1[C@H](C)CC	226022135	NTRSXLUZUDYNKF-MRVPVSSYSA-N	209.293	1.625	50	40	BDGB	
ClCc1nnn([C@H]2CCCCO2)n1	199793646	KIEKKXUIBFJTFB-SSDOTTSWSA-N	202.645	1.111	50	40	BDGB	
O=C(O)[C@H]1[C@@H]2C[C@H](Cl)[C@@H]1CC21OCCO1	254411020	KLBCJXDWJFIPSO-DKXJUACHSA-N	232.663	1.078	50	40	BDGB	
CC(C)=NNC(=O)C(=O)Nc1ccc(C)cc1	59515721	UTQCEETUDDDOTN-UHFFFAOYSA-N	233.271	1.446	50	40	BDGB	
Br[C@@H]1CCc2n[nH]cc2C1	575425868	ZFCOPBXKMLHTCJ-ZCFIWIBFSA-N	201.067	1.662	50	40	BDGB	
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Cl)c1	12505430	ARPNEJQWSWQCJE-MRVPVSSYSA-N	240.690	1.383	50	40	BDGB	
NC(=O)N/N=C1\CCN2CCCc3cccc1c32	16982423	UVGFNXHHNWNTKR-RVDMUPIBSA-N	244.298	1.215	50	40	BDGB	
Cc1cc(C)n(CC(=O)N/N=C/c2ccco2)n1	188744	QGELQWHQOZQAPI-NTUHNPAUSA-N	246.270	1.243	50	40	BDGB	
C=CCOC[C@H](CCl)OC(=O)CC	1583977	FYTSIQVTVHOXQO-QMMMGPOBSA-N	206.669	1.750	50	40	BDGB	
S=C1NC[C@@H](CBr)S1	4831937	DLNIUHQNWQGBTL-GSVOUGTGSA-N	212.137	1.371	50	40	BDGB	
CC(=O)[C@@H](Cl)C(=O)OCc1ccccc1	101240589	PVVLYVXLOBBQBK-SNVBAGLBSA-N	226.659	1.926	50	40	BDGB	
COC(=O)[C@@H]1C[C@@H]2C[C@@H]1C(=O)[C@@H]2Br	103697485	XKWLNOVDLCIPOC-VWDOSNQTSA-N	247.088	1.148	50	40	BDGB	
O=C1CC(C(F)F)CC(=O)C1Br	217647758	HYJQCVPFOJAFQD-UHFFFAOYSA-N	241.031	1.563	50	40	BDGB	
O=C(CCl)c1nnc(C(F)(F)F)o1	199753899	QNVBSULJJZKPKR-UHFFFAOYSA-N	214.530	1.510	50	40	BDGB	
N#C/C(=C\c1cccc(Cl)c1)C(N)=O	256267	WKQJEMMLYNQPJS-XBXARRHUSA-N	206.632	1.732	50	40	BDGB	
C[C@@H](O)C1CCN(CCCCl)CC1	90413008	WFUZRDMYGIZKJD-SECBINFHSA-N	205.729	1.708	50	40	BDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(N)=S	135344	ZJUPLUDEWMWRRF-VMPITWQZSA-N	233.252	1.788	50	40	BDGB	
COc1cccc(/C=N/NC(C)=O)c1OC	175390	DIQUSBDEXUMZJN-KPKJPENVSA-N	222.244	1.174	50	40	BDGB	
CCOc1ccc(/C=C(\C#N)C(=O)NC)cc1	277559	RIEMFMWLFJUKMP-DHZHZOJOSA-N	230.267	1.738	50	40	BDGB	
O=C(N/N=C1\C(O)=Nc2ccc(F)cc21)C1CC1	6684292	KRECUFQQXAQVQE-UHFFFAOYSA-N	247.229	1.658	50	40	BDGB	
CN1CCC(I)CC1	79436937	ROCGMCUXLYBSQC-UHFFFAOYSA-N	225.073	1.516	50	40	BDGB	
Cc1ccc([C@@H](O)[C@H](Cl)S(C)(=O)=O)cc1	96518865	PLHHEYQCXGSEKT-NXEZZACHSA-N	248.731	1.638	50	40	BDGB	
Cc1cc(=O)n2nc(CCl)sc2n1	332821	NZAXHQJYIYHPFL-UHFFFAOYSA-N	215.665	1.198	50	40	BDGB	biogenic,in-vitro
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Cl	2650176	QGQFQOZYPDIRQG-VXNVDRBHSA-N	202.685	1.668	50	40	BDGB	in-vitro
O=C(C[n+]1ccccc1)N/N=C/c1cccs1	2705193	YSTUOSMXAVLEBN-UKTHLTGXSA-O	246.315	1.186	50	40	BDGB	
C[C@@H](Cl)CN[C@H]1c2ccccc2C[C@@H]1O	4896533	IGHVMDUYHFBFSO-ZHAHWJHGSA-N	225.719	1.862	50	40	BDGB	
O=S1(=O)C[C@H](c2ccccc2)[C@@H](Cl)C1	217423166	IWUFLETVBZLURO-ZJUUUORDSA-N	230.716	1.806	50	40	BDGB	
O=C1CCN(C(=O)CCl)c2ccccc2N1	5604772	LPPYMUVEYLTREA-UHFFFAOYSA-N	238.674	1.601	50	40	BDGB	
CC[C@@H]1S[C@@H](C)C/C(=N\NC(N)=O)[C@@H]1C	13138497	CXEKRAUJXURPPU-IXAFEZHUSA-N	229.349	1.951	50	40	BDGB	
OB(O)c1ccc(F)c(-c2ccccc2)c1	309152148	XQWCKGIOGSWPAE-UHFFFAOYSA-N	216.020	1.173	50	40	BDGB	
CCCN1C(=O)CCC(C=O)=C1Cl	257197856	LELJCQGNHPWGFZ-UHFFFAOYSA-N	201.653	1.668	50	40	BDGB	
CC(C)(C)[C@H](Br)CC(N)=O	5714543	AWVMEYUARNWQFD-RXMQYKEDSA-N	208.099	1.671	50	40	BDGB	
C[C@H]1[C@H](Br)C=CS1(=O)=O	12173612	YQFCYPJLLJAPJV-CRCLSJGQSA-N	211.080	1.081	50	40	BDGB	
Cc1ccc(NC(=O)N(CCO)N=O)cc1	4946161	LXFKXGNENGSVNH-UHFFFAOYSA-N	223.232	1.503	50	40	BDGB	
N#C/C(=C\c1ccncc1)C(=O)NC1CC1	6644666	SEEFOSZUIHDNJE-JXMROGBWSA-N	213.240	1.267	50	40	BDGB	
CC(=O)N/N=C(\C)CC(=O)Nc1ccccc1	408720306	YDBYVSLEEQEBIA-NTEUORMPSA-N	233.271	1.527	50	40	BDGB	
O=C(CCl)Nc1cccnc1N1CCCC1	37002800	NNCILJKIZYPBPI-UHFFFAOYSA-N	239.706	1.859	50	40	BDGB	in-vitro
CNC(=O)c1cccc(NC(=O)[C@H](C)Cl)c1	37389545	CAVHJFJDIDFZJH-ZETCQYMHSA-N	240.690	1.612	50	40	BDGB	in-vitro
Nc1ccccc1C(=O)N/N=C\c1ccco1	33294830	JDEMYFVJWCCFSD-ZSOIEALJSA-N	229.239	1.626	50	40	BDGB	
C[Si](O)(c1ccccc1)c1ccccc1	195763096	MLPRTGXXQKWLDM-UHFFFAOYSA-N	214.340	1.368	50	40	BDGB	
O=C(Cl)c1nn(CC(F)F)cc1[N+](=O)[O-]	238852886	HQMNFWLNNSOXSA-UHFFFAOYSA-N	239.565	1.435	50	40	BDGB	
COc1ccc([C@@H]2NC(=O)OC2=O)c(OC)c1	1772714929	GHEAHSDNGDYFMM-VIFPVBQESA-N	237.211	1.011	50	40	BDGB	
C=CCNC(=S)NNC(=O)OC(C)(C)C	6262595	HHACJYSUSDQHLX-UHFFFAOYSA-N	231.321	1.076	50	40	BDGB	
CCN(C(C)=O)C1CCN(C(=O)CCl)CC1	83320875	LPLQJEXYGAKKSN-UHFFFAOYSA-N	246.738	1.085	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC)cc1	2682630	YQEDALOAZHOAOB-FMIVXFBMSA-N	242.278	1.904	50	40	BDGB	
NNC(=O)C1=CN(CCc2ccccc2)C=CC1	1667317	DMJGNMXEOVOPRC-UHFFFAOYSA-N	243.310	1.322	50	40	BDGB	
C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)OC2=O	101711306	AZESXJFLIKBPPG-FZMZJTMJSA-N	245.278	1.208	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1	5178498	WQWLESVDQFOXPT-POHAHGRESA-N	247.250	1.871	50	40	BDGB	in-vitro
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1C	408776551	PJVUGFVKBVVNHP-GHXNOFRVSA-N	231.299	1.637	50	40	BDGB	
CCOC(=O)[C@@H](Br)C(F)(F)F	80440465	UXBCOJMNNCGGCY-GSVOUGTGSA-N	234.999	1.875	50	40	BDGB	in-vitro
Cc1ccc(C(=O)NNC(=O)C2CC2)s1	26968015	HGMMRXHCKKDHPW-UHFFFAOYSA-N	224.285	1.228	50	40	BDGB	
CN(C)/C=C(/C#N)C(=O)c1ccccc1	12339961	ZHLDDWYMGDGHRL-LUAWRHEFSA-N	200.241	1.838	50	40	BDGB	
COc1cc(C)c(/C=N/NC(N)=O)cc1OC	206093654	HBRRDASWFRONSS-AWNIVKPZSA-N	237.259	1.014	50	40	BDGB	
CC(=O)N/N=C/c1cccc(Br)c1	5283466	YXMLAKWCJKLYGZ-IZZDOVSWSA-N	241.088	1.919	50	40	BDGB	
CCOC(=O)C[N+](C)(CCCl)CCCl	1698607	UAYYFKUOFCELNG-UHFFFAOYSA-N	243.154	1.474	50	40	BDGB	
CCC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](C)C1	22123601	QDLVTGWISNJXDD-OUAUKWLOSA-N	227.352	1.123	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)c2ccccn2)n1	29066036	XAHHMXDTRHHJTQ-UHFFFAOYSA-N	243.270	1.245	50	40	BDGB	
CC(C)/C=N/NC(=O)c1ccc2c(c1)OCO2	5384001	OELSUXLEVIATGN-AWNIVKPZSA-N	234.255	1.787	50	40	BDGB	
Nc1cc(N)cc(CBr)c1	307088380	MSIIYOZUVBZLKA-UHFFFAOYSA-N	201.067	1.746	50	40	BDGB	
CN(C)NC(=O)Nc1ccc2nsnc2c1	409001028	ZWBIIKTUAQSDCV-UHFFFAOYSA-N	237.288	1.289	50	40	BDGB	
CN1[C@H]2CC[C@@H]1[C@H](Br)C(=O)C2	39110028	VHNXFKTYNFJDKY-BBVRLYRLSA-N	218.094	1.186	50	40	BDGB	
CN(CC1CCN(C(=O)CCl)CC1)C1CC1	79419241	NPSYEDZAMWIUKC-UHFFFAOYSA-N	244.766	1.558	50	40	BDGB	
O=C(O)CCc1cccc(NC(=O)CCl)c1	43828306	RPOMZMMDPSBKLY-UHFFFAOYSA-N	241.674	1.881	50	40	BDGB	
CC(C)(C)[C@H]1OC(N)=C(C#N)C1=C(C#N)C#N	100257998	XNGCOXDAXBSYHS-JTQLQIEISA-N	228.255	1.469	50	40	BDGB	
CC[C@@H](C)C(=O)NNc1nc(C)cc(C)n1	13005001	JURFJUNLGQEQHH-SSDOTTSWSA-N	222.292	1.583	50	40	BDGB	
O=C(CCl)Nc1ncc2c(n1)CCCC2=O	20153911	PVRFIGFRMQFBJK-UHFFFAOYSA-N	239.662	1.173	50	40	BDGB	
COc1cccc(NC(=O)CCl)n1	83343519	MVYKWPARCKFFJS-UHFFFAOYSA-N	200.625	1.268	50	40	BDGB	
CCOC(=O)[C@H](Br)C(F)(F)F	80440458	UXBCOJMNNCGGCY-VKHMYHEASA-N	234.999	1.875	50	40	BDGB	in-vitro
Cc1ccccc1/C=N/NC(=O)c1cnccn1	522809	JKNIRPUBSPFLOS-LZYBPNLTSA-N	240.266	1.549	50	40	BDGB	
CN1C=CC(=C(C#N)C(=O)CCl)C=C1	20281409	GDYOGYFCFARNPF-UHFFFAOYSA-N	208.648	1.587	50	40	BDGB	in-vitro
COC(=O)c1ccccc1N(C)C(=O)CCl	9927250	PGQYXPNFFDYSMS-UHFFFAOYSA-N	241.674	1.675	50	40	BDGB	in-vitro
CC(=O)N1CC[C@H](CBr)C1	79436796	ONCOFRGWHKMJIQ-SSDOTTSWSA-N	206.083	1.250	50	40	BDGB	
O=C(Cc1ccccc1)N/N=C/c1ccc[nH]1	528776	NMISWCHMZRGKQP-XNTDXEJSSA-N	227.267	1.708	50	40	BDGB	
CC1=C[C@H](C)[C@@H](/C=N/NC(N)=O)[C@H](C)C1	107856649	YBYSXMKQRHGENA-LBODXPGRSA-N	209.293	1.879	50	40	BDGB	
CC(C)=NNC(=O)CN1CCCc2ccccc21	44554198	KLVPLTDFBTXBEK-UHFFFAOYSA-N	245.326	1.951	50	40	BDGB	
O=C(N/N=C1\C[C@H]2C=CC[C@H]12)c1ccncc1	20754358	RZILNFWTGIFZHJ-KSWSDUOESA-N	227.267	1.763	50	40	BDGB	
O=C1Nc2ccccc2[C@@]12OC[C@H](CCl)O2	4862813	CQNUSAFUUVZRFL-CPCISQLKSA-N	239.658	1.446	50	40	BDGB	
N#C/C(=C\c1cccc(O)c1)C(=O)NC1CC1	7163972	USEXDFLUXBWGRA-UXBLZVDNSA-N	228.251	1.578	50	40	BDGB	
C/C(=N\NC(=O)C(F)(F)F)c1ccccc1O	5008385	JNEQOERPUIQTDI-MKMNVTDBSA-N	246.188	1.795	50	40	BDGB	
O=C(O)CC[C@H](Br)CC(=O)O	5410170	SSEAMBYEAMGZFC-BYPYZUCNSA-N	225.038	1.089	50	40	BDGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(N)=O	15105	ZNLRJSIYWYCZBD-JXMROGBWSA-N	238.246	1.938	50	40	BDGB	
CCOC(=O)/C(C#N)=C/C=C1/C=CC=CN1C	31760628	MGTVLVYYBWCYDX-RLCSYUECSA-N	230.267	1.899	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Cl)cc1Cl	1576901	AZDUIBWEJAGLLG-UUILKARUSA-N	232.070	1.996	50	40	BDGB	
CCOC(=O)N/N=C1/C(=O)N(C)c2ccccc21	100219764	HRBUQVSQUHPJGN-JLHYYAGUSA-N	247.254	1.113	50	40	BDGB	
C/C(=N\NC(=O)c1ccccn1)c1ccncc1	13113640	ZXTIPNIQHORKDA-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
CC(C)CCNC(=S)NNC(=O)[C@H]1C[C@@H]1C	68414745	LPGCERCAUQQOPA-IUCAKERBSA-N	243.376	1.184	50	40	BDGB	
CCCOc1ccccc1/C=C(\C#N)C(N)=O	408873698	UZELZNNLVKEWRE-DHZHZOJOSA-N	230.267	1.868	50	40	BDGB	
NNC(=O)c1cc(-n2cccc2)ccc1Cl	226244878	AOIUQAMHNDUAFC-UHFFFAOYSA-N	235.674	1.734	50	40	BDGB	
N#C[C](C#N)c1ccc(C(=C=N)C#N)cc1	137620157	RLSRENPUOASXQZ-UHFFFAOYSA-N	205.200	1.812	50	40	BDGB	
O=C1[C@@H]2[C@H]3[C@@H](Br)[C@@H]4[C@H]1[C@H]1C[C@@H]4[C@@H]3[C@@H]21	245263910	BMBLHKXXRVKSGM-HNEJLIPKSA-N	239.112	1.707	50	40	BDGB	
CC(C)=NNC(=O)CSc1ncccn1	5186047	MDRCYZLTBSTDPU-UHFFFAOYSA-N	224.289	1.081	50	40	BDGB	
N#Cc1cnn2c(O)cc(CCl)nc12	55401	GGGKKYPWHRNBHQ-UHFFFAOYSA-N	208.608	1.045	50	40	BDGB	in-vitro
CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21	102582860	LEVGEMOUBVHJCN-ZXZZCXTASA-N	204.225	1.454	50	40	BDGB	
O=C(CC1CCCCC1)NNC(=O)C1CC1	7813638	MZNNUUAZVABBBZ-UHFFFAOYSA-N	224.304	1.514	50	40	BDGB	
CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	102188509	LEVGEMOUBVHJCN-AKEJEFCPSA-N	204.225	1.454	50	40	BDGB	
CS(=O)(=O)Cc1ccc(C(=O)CCl)cc1	107831655	ZTYAJZQLPYMMKZ-UHFFFAOYSA-N	246.715	1.653	50	40	BDGB	
COC(=O)[C@H](Br)C(C)(C)OC	35572441	QIUYHXYZDBIUDY-YFKPBYRVSA-N	225.082	1.348	50	40	BDGB	
O=C(CCCCCl)CC1OCCO1	85652286	KKPPJMGLSJKICW-UHFFFAOYSA-N	206.669	1.728	50	40	BDGB	
C[C@@H]1CCc2nn3c(CCl)nnc3cc2C1	96530174	VDKDICKBDYUJPK-SSDOTTSWSA-N	236.706	1.988	50	40	BDGB	
COC(=O)Cc1ccc(NC(=O)CCl)cc1	15423217	CEIQOFUUUMEXHA-UHFFFAOYSA-N	241.674	1.579	50	40	BDGB	
CCc1nn2c(=O)cc(CCl)nc2s1	4218347	LSOANKRIPGZQFX-UHFFFAOYSA-N	229.692	1.452	50	40	BDGB	in-vitro
O=C1CSC(=O)N1CCBr	8804400	ILPFZCPNULAAJR-UHFFFAOYSA-N	224.079	1.077	50	40	BDGB	
CN1CCC(=NNC(=O)c2ccccc2O)CC1	59413259	YEXDIMRBZSWMPX-UHFFFAOYSA-N	247.298	1.204	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)CC#N)cc1[N+](=O)[O-]	59465359	XZSARYGRXADIPV-NTUHNPAUSA-N	246.226	1.267	50	40	BDGB	
[C-]#[N+][C@H](Cc1ccc(F)cc1)C(=O)OC	95698004	FSMZZRNWEMYWLY-SNVBAGLBSA-N	207.204	1.829	50	40	BDGB	
O=C(NCCCl)NCc1ccccc1	1623684	CNQHZLLOIIQGKB-UHFFFAOYSA-N	212.680	1.725	50	40	BDGB	
COC(=O)[C@H](Cc1ccc(F)cc1)N=C=O	16158553	LGHLKJBYUBBGNR-JTQLQIEISA-N	223.203	1.246	50	40	BDGB	
CCN1CCC(=NNC(=O)c2ccccc2)CC1	57427919	FBMCTNNWCWFLDU-UHFFFAOYSA-N	245.326	1.888	50	40	BDGB	
CC(C)=NNC(=O)C(=O)CC(=O)c1ccccc1	100921457	ANOWSOWQRPXCHU-UHFFFAOYSA-N	246.266	1.341	50	40	BDGB	
COCC1(c2nc(O)cc(CCl)n2)CC1	217794366	SPWHCILFYKBBEB-UHFFFAOYSA-N	228.679	1.599	50	40	BDGB	
CCOC(=O)CC(=O)[C@@H](Br)CC	39284830	NUJFFRSXUKQHPG-LURJTMIESA-N	237.093	1.682	50	40	BDGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(N)=O	3208945	SFZKOJMAADXBGK-YRNVUSSQSA-N	230.267	1.866	50	40	BDGB	
N#CC1=C(C#N)S[C@H](C#N)[C@H](C#N)S1	12478812	AHBYHWIAJDQTAB-OLQVQODUSA-N	218.266	1.510	50	40	BDGB	
CC(/C=C\c1ccc(O)cc1)=N/NC(N)=O	17141577	IKDJOJMSRRXVBV-YSWQPJJHSA-N	219.244	1.450	50	40	BDGB	
C[C@@H](Cl)CN1CCN(C[C@@H](C)Cl)CC1	19369054	FCEMDHCGQHZZKJ-NXEZZACHSA-N	239.190	1.859	50	40	BDGB	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)[N+](=O)[O-]	1697481	IZHPSIHVHGAAOM-HYXAFXHYSA-N	209.117	1.329	50	40	BDGB	
O=C(Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	33434712	ZXGGHOOKPLVQHN-ZETCQYMHSA-N	241.649	1.944	50	40	BDGB	
CC1(C)[C@H](O)[C@H](Br)[C@@H]2C=C[C@H]1O2	3851534	BCXIXASAZPUIEQ-LXGUWJNJSA-N	233.105	1.474	50	40	BDGB	
NC(=O)c1csc(C(=O)CCl)c1	38342087	KGUQAJBLFNRQLC-UHFFFAOYSA-N	203.650	1.269	50	40	BDGB	in-vitro
Cc1ccc(C(=O)O)cc1NC(=O)CCl	3886758	FEQRNTYJUDHNDJ-UHFFFAOYSA-N	227.647	1.871	50	40	BDGB	
NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1	72416888	WEIAGTRPTCHUCZ-UHFFFAOYSA-N	236.662	1.129	50	40	BDGB	
COCCN(Cc1cccs1)C(=O)CCl	4206087	GCQCGWDSIZOHCN-UHFFFAOYSA-N	247.747	1.962	50	40	BDGB	
O=C(N/N=C1/CCc2ccccc21)C1CC1	5164128	AGAJUPDCUCZELF-OWBHPGMISA-N	214.268	1.863	50	40	BDGB	
C=C1CC(C(=O)N/N=C/c2ccncc2)C1	408822809	XRVHAJJLCPPQAN-RIYZIHGNSA-N	215.256	1.498	50	40	BDGB	
Cc1ccc(C(=O)NN)n1-c1ccccc1	223747119	YTVXVPFEZRPHCT-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
CC(C)c1ccc(/C=N/NC(N)=O)cc1	1794478	GUYURJHCOAZNNL-NTUHNPAUSA-N	205.261	1.812	50	40	BDGB	
C[C@H](Cl)C(=O)Nc1cccc(C(N)=O)c1	37391205	SDQFWVZYCFYQIS-LURJTMIESA-N	226.663	1.351	50	40	BDGB	
CCc1ccc(C(=O)NN)n1Cc1ccccc1	226022438	AJQBJKXCSDNWFA-UHFFFAOYSA-N	243.310	1.702	50	40	BDGB	
Cc1csc2c(=O)n(CCCl)c(=O)[nH]c12	2577531	NREVZLRABPVGIV-UHFFFAOYSA-N	244.703	1.299	50	40	BDGB	
CC[C@@H]1S[C@@H](C)C/C(=N/NC(N)=O)[C@H]1C	100722487	CXEKRAUJXURPPU-MBCJPCHXSA-N	229.349	1.951	50	40	BDGB	
CN1C(=O)C(=C(C#N)C#N)c2cc(F)ccc21	546189	OHPFXCBXDVDOCV-UHFFFAOYSA-N	227.198	1.603	50	40	BDGB	
O=CNNc1nc(-c2ccccc2)cs1	3767999	PYBVEOPSPGYYQR-UHFFFAOYSA-N	219.269	1.883	50	40	BDGB	
CC(=O)NNC(=S)Nc1cccc(F)c1	13658415	HVLLFJFTHYOZOA-UHFFFAOYSA-N	227.264	1.163	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccc2c(c1)OCO2	28617541	SVRRYHLXXJGCCN-MLPAPPSSSA-N	234.255	1.521	50	40	BDGB	
O=C(N/N=C\c1ccc(O)cc1)c1ccccn1	33089273	XCWLRKUNIFCQFY-DHDCSXOGSA-N	241.250	1.551	50	40	BDGB	
CC1(C)[C@H]2CC[C@@]1(CBr)C(=O)C2=O	100487176	XJXZFLDQSFSDQK-QUBYGPBYSA-N	245.116	1.956	50	40	BDGB	
O=C(Cl)[C@@H]1CC(c2ccccn2)=NO1	85347995	ZCPJOLKNARGEIO-QMMMGPOBSA-N	210.620	1.340	50	40	BDGB	
CC(C)=NNC(=O)CC(=O)NCc1ccccc1	5225614	WUFPTKUBPRWFRB-UHFFFAOYSA-N	247.298	1.205	50	40	BDGB	
CC[C@@](C)(C(=O)NN)N1C[C@@H](C)C[C@@H](C)C1	22123759	JNHOQSQNKYKMOU-UMNHJUIQSA-N	227.352	1.123	50	40	BDGB	
CC[C@H](C)c1ccccc1OCC(=O)NN	572031	IWDLDEIDGXECMW-VIFPVBQESA-N	222.288	1.569	50	40	BDGB	in-vitro
Cc1cc(C)n(C(=O)CBr)n1	20095812	IUWPRQGEQIIFCG-UHFFFAOYSA-N	217.066	1.535	50	40	BDGB	
CCOC(=O)NNC(=O)c1ccc(Cl)cc1	2083851	KJMREANUJBXMIK-UHFFFAOYSA-N	242.662	1.731	50	40	BDGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(N)=O	96662775	NHOKYAKIKIONSK-IYNMRSRQSA-N	243.222	1.543	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	104120489	QFGGWQCIRBTVNP-YOLLMIJGSA-N	207.277	1.467	50	40	BDGB	
Cc1ccc(C[C@@H]2NC(=O)OC2=O)cc1C	1772714644	DKLLADGFZWXJGX-JTQLQIEISA-N	219.240	1.481	50	40	BDGB	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN	3289677	IFXMCAILWJWOMM-QMMMGPOBSA-N	242.706	1.714	50	40	BDGB	
CCN(CC)c1ccc(/C=N/NC(N)=O)cc1	295068	XPPDVSPFQAFILG-NTEUORMPSA-N	234.303	1.535	50	40	BDGB	
CC[C@H](C)NNC(=O)CCN1CCCCC1	5476779	VXTPYHKDDSXRGL-NSHDSACASA-N	227.352	1.282	50	40	BDGB	
CC/C(CC(=O)C(F)(F)F)=N\NC(=O)CC#N	100912617	BYAKFSQAEHAYGC-MKMNVTDBSA-N	249.192	1.304	50	40	BDGB	
CCOC(=O)[C@@H](Cl)[C@H](Cl)C(=O)OCC	1683359	PBGMSGHICSEALQ-WDSKDSINSA-N	243.086	1.327	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1ccccc1N	12504626	LSJXPESTPINVSW-HJWRWDBZSA-N	231.255	1.651	50	40	BDGB	
C=CCOc1ccccc1/C=C(\C#N)C(N)=O	21323358	WAYMZIKXRANPBE-DHZHZOJOSA-N	228.251	1.644	50	40	BDGB	
NC(=O)Cc1ccc(C(=O)CCl)s1	4206625	UIDGOBWQSBSEAW-UHFFFAOYSA-N	217.677	1.197	50	40	BDGB	in-vitro
O=C(N/N=C/c1ccoc1)c1ccccc1O	4503147	BMOLLHLIWBSAMF-NTUHNPAUSA-N	230.223	1.749	50	40	BDGB	
O=C(OCCBr)n1ccnc1	1083812518	MWKVDZGDJZJXJZ-UHFFFAOYSA-N	219.038	1.263	50	40	BDGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(N)=O)C2	32916002	QCEFOIDJHJPYIB-DJSDCQQTSA-N	209.293	1.857	50	40	BDGB	in-vitro
C=COC(=O)CI	2572051	RZBCQRXLQOFZBP-UHFFFAOYSA-N	211.986	1.108	50	40	BDGB	
CCCCC[C@H]1[C@@H](O)CC[C@H]1CC(=O)NN	4587572	LEMDCLIXAOKCTJ-AXFHLTTASA-N	228.336	1.334	50	40	BDGB	
O=C(CCl)NCc1cccc([N+](=O)[O-])c1	52942912	BDYFNYCLKQANSX-UHFFFAOYSA-N	228.635	1.450	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccccc1OC	3019739	DZVSCNSIEXRTEV-JXMROGBWSA-N	217.224	1.775	50	40	BDGB	
COC(=O)N/N=C1\CC(=O)CC(C)(C)C1	100008585	YWVDYSCQRRCMMZ-YRNVUSSQSA-N	212.249	1.478	50	40	BDGB	
CCOC(=O)/C=C(\CBr)OCC	33374103	FYYMWILFRUUBCX-FNORWQNLSA-N	237.093	1.865	50	40	BDGB	
CN(C)c1ccc([C@H]2NC[C@H](CCl)O2)cc1	36097599	AGJRWWYVQQFNKV-RYUDHWBXSA-N	240.734	1.978	50	40	BDGB	
N#C/C(=C\c1cccs1)C(=O)N1CCOCC1	143905	FGMNJMXCMGUISE-CSKARUKUSA-N	248.307	1.514	50	40	BDGB	
OB(O)[C@H]1C=CC(OC(F)(F)F)=CC1	219785364	CWHVPRDEVBTPSF-YFKPBYRVSA-N	207.944	1.210	50	40	BDGB	
N#C/C(N)=C(\C#N)N=Cc1ccc(Cl)cc1	254844426	KJZDATYEDLQQIQ-OOQWFJINSA-N	230.658	1.976	50	40	BDGB	
C=CCOC[C@@H](CCl)OC[C@@H]1CO1	5377390	GMSLBWASKZPQBY-RKDXNWHRSA-N	206.669	1.212	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccco1	28627	KDUWOJQUECBSSR-XYOKQWHBSA-N	217.228	1.382	50	40	BDGB	
N#CC1=C2Sc3ccccc3N2CC1=O	145811	HXIPWDLLRHXMNS-UHFFFAOYSA-N	214.249	1.917	50	40	BDGB	
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NN	2801700	USJUEKXCMSCEDE-NSHDSACASA-N	222.288	1.451	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccc(O)cc1	36288093	BIUHLJXBLMOZQC-NTEUORMPSA-N	243.266	1.495	50	40	BDGB	
CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cl)C1	38351384	FXESQZCEOYWZJH-SSDOTTSWSA-N	233.695	1.804	50	40	BDGB	in-vitro
CC(C)[C@@H](/C=N/NC(N)=O)CC[C@H](C)C(=O)O	4266528	NDWFETOVNYWBHY-GXYVHITOSA-N	243.307	1.414	50	40	BDGB	
O=C(NC[C@@H](O)CCl)c1ccccc1	1671849	ICNSYMQNURRLGB-VIFPVBQESA-N	213.664	1.016	50	40	BDGB	
O=C(CCl)NC1CCC(Cl)CC1	100201643	DEKRLSVNZCOOFN-UHFFFAOYSA-N	210.104	1.891	50	40	BDGB	
COC(=O)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1	1995087	DQTOZIJNMYYCJE-UHFFFAOYSA-N	243.602	1.760	50	40	BDGB	
NNC(=O)c1cccc(OC(F)(F)F)c1	2580678	MNEXCWJCDZXJLF-UHFFFAOYSA-N	220.150	1.189	50	40	BDGB	in-vitro
CCOC(=O)C/C(C)=N/NC(=O)OC(C)(C)C	4673081	UDXSVSALWJFGKU-XYOKQWHBSA-N	244.291	1.840	50	40	BDGB	
CC(C)(O)C(=O)N/N=C\c1ccc(Cl)cc1	31729810	GKMCUIMUHRHXCN-QPEQYQDCSA-N	240.690	1.561	50	40	BDGB	
CCn1nc(C)c(C2CC(=O)OC(=O)C2)c1C	217687306	HUJQZFIYZDXITB-UHFFFAOYSA-N	236.271	1.467	50	40	BDGB	
Cn1cc(/C=N/C(C#N)=C(\N)C#N)c2ccccc21	100268446	JRZZCPQKEGMRLI-SUBGADEPSA-N	249.277	1.815	50	40	BDGB	
COc1cccc2c1N[S@](=O)S2	6424749	JCONJIVRPRWHFC-LBPRGKRZSA-N	201.272	1.792	50	40	BDGB	
CC(C)(/C=N/O)NNC(=O)Nc1ccccc1	1897306	APFQKXDKLLUHDV-XYOKQWHBSA-N	236.275	1.551	50	40	BDGB	
N#CC(C#N)=CNC[C@@H]1COc2ccccc2O1	13142920	UGYJKCFMGLCKGY-LLVKDONJSA-N	241.250	1.347	50	40	BDGB	
C/C(=N\NC(=O)c1ccncc1)c1ccccn1	13954391	FVEHSUOXXBHVHF-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
CCOC(=O)CCC(=O)CBr	39220450	HZTCCISWRZQSRU-UHFFFAOYSA-N	223.066	1.294	50	40	BDGB	in-vitro
Cc1ccc(Cc2ccc(C(=O)NN)n2C)cc1	226029210	BICQKAQQSWSRML-UHFFFAOYSA-N	243.310	1.528	50	40	BDGB	
Cc1nn(C)c(C)c1NC(=O)CCl	281818	FTJPNEYQAUHDTG-UHFFFAOYSA-N	201.657	1.214	50	40	BDGB	in-vitro
N#C/C(=C\c1ccc[nH]1)C(=O)NC1CC1	5018149	RKJYHNSWLQQSKJ-SOFGYWHQSA-N	201.229	1.200	50	40	BDGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@H]3O[C@H]3C2)O1	5376728	NBDKOJSGJIGOBM-MQIGXGKASA-N	218.680	1.534	50	40	BDGB	
C[C@@H](Cl)C(=O)NCC(=O)c1ccc(F)cc1	1536222106	ZHPBXPOQPZPIFR-SSDOTTSWSA-N	243.665	1.752	50	40	BDGB	
O=C(CCCl)OCc1ccc([N+](=O)[O-])o1	1673006	WOHKMXWHZYDNNR-UHFFFAOYSA-N	233.607	1.860	50	40	BDGB	
O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCl	103534579	IYYFXHLVDINJAI-JGVFFNPUSA-N	248.109	1.743	50	40	BDGB	
COC(=O)c1cccn2cc(CCl)nc12	8725240	NSPJKKRBWJCDTM-UHFFFAOYSA-N	224.647	1.860	50	40	BDGB	in-vitro
COC(=O)[C@H](CCl)NC(=O)c1ccccc1	5605941	YWPXOLXUAWAXOD-VIFPVBQESA-N	241.674	1.197	50	40	BDGB	
O=C(O)[C@@H](Br)c1cccnc1	67801556	XNFYGOWELTWTOT-LURJTMIESA-N	216.034	1.602	50	40	BDGB	
N#C/C(C(N)=S)=C1/C(=O)Nc2ccccc21	35521711	IXOJRNGKOUMILF-CLFYSBASSA-N	229.264	1.202	50	40	BDGB	
O=C(Cl)c1cncc(C(=O)Cl)c1	85814261	SBKBDFUOZKKFRK-UHFFFAOYSA-N	204.012	1.840	50	40	BDGB	
CC1(C)[C@H](NC(=O)CCl)CCN([O])C1(C)C	1569992319	YDRQQOQCUNYYKJ-MRVPVSSYSA-N	247.746	1.566	50	40	BDGB	
NC(=O)N/N=C1/C=C2CCCC[C@@H]2CC1	5084513	UJTKFUKIJCHXPZ-JSGDOSECSA-N	207.277	1.921	50	40	BDGB	
Cc1ccc(C)n1Cc1ccc(C(=O)NN)cc1	8550922	QLYGWXAJWHSQDB-UHFFFAOYSA-N	243.310	1.757	50	40	BDGB	
CN1C=CC=C/C1=C(/C#N)C(N)=C(C#N)C#N	102811793	DNTDTVOSBNUDFU-ZHACJKMWSA-N	223.239	1.039	50	40	BDGB	
CCn1nccc1CN(C)C(=O)CCl	2536516	BIILDZYLIMFLKA-UHFFFAOYSA-N	215.684	1.100	50	40	BDGB	
C/C(=N/NC(=O)CC#N)c1ccc2[nH]ccc2c1	4013082	OWZLDXAZJJZHNQ-SXGWCWSVSA-N	240.266	1.922	50	40	BDGB	
CCCCNC(=O)NC(=O)[C@H](C)Cl	36904954	WIVAKQBKZYQWMW-LURJTMIESA-N	206.673	1.240	50	40	BDGB	in-vitro
CCOC(=O)C(C#N)=C1C[C@H](C)O[C@@H](C)C1	1697485	ZJUCFKMSYJGSFT-IUCAKERBSA-N	223.272	1.957	50	40	BDGB	
O=C(Cl)N1C(=O)c2ccccc2C1=O	39057459	XUYISNOCJPEAPN-UHFFFAOYSA-N	209.588	1.641	50	40	BDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Cl)C(=O)C2=O	72242849	GCTJEIHNDXCZIY-MNOVXSKESA-N	228.675	1.716	50	40	BDGB	
O=C(O)c1cc(C(=O)F)cc(C(=O)F)c1	100036559	CMZMZWVNDIEGLV-UHFFFAOYSA-N	214.123	1.604	50	40	BDGB	
CC(=O)N/N=C/c1ccc(Br)o1	137294245	OPBMJFAIWJRPBD-RUDMXATFSA-N	231.049	1.512	50	40	BDGB	
C[C@@H]1CNC(=S)SSC(=S)N1	5763412	PURABAOGSHZPSF-GSVOUGTGSA-N	224.401	1.519	50	40	BDGB	
CC(=O)N/N=C/c1ccc(N(C)CCC#N)cc1	5606098	HJUMPMADJMPJJN-XNTDXEJSSA-N	244.298	1.506	50	40	BDGB	
O=c1cc(CCl)nc(-c2ccccn2)[nH]1	2575355	PQQSVAZRXLMNNW-UHFFFAOYSA-N	221.647	1.571	50	40	BDGB	
O=C(CCl)/N=c1\ccccn1C(=O)CCl	562799	WNCQRTBCRPNCAP-KPKJPENVSA-N	247.081	1.033	50	40	BDGB	
CCC[C@H](C(=O)NN)N1CCCCCC1	22123663	GBSHAPUOYOCSDV-SNVBAGLBSA-N	213.325	1.021	50	40	BDGB	
CCc1ccc2c(c1)/C(=N\NC(N)=O)CCC2	31623753	MPBWRUBEJRERHP-QINSGFPZSA-N	231.299	1.958	50	40	BDGB	
C=CCn1c(CCC)ccc1C(=O)NN	226026102	VLAHVKRBTYQNBE-UHFFFAOYSA-N	207.277	1.230	50	40	BDGB	
CC(=O)[C@@](CO)(C(=O)Cl)c1ccccc1	87492646	WMXURTHCVUXSGD-LLVKDONJSA-N	226.659	1.271	50	40	BDGB	
CCOc1ccccc1/C=C(/C#N)C(N)=O	12340155	GTVCQYRQARFCIP-YFHOEESVSA-N	216.240	1.478	50	40	BDGB	in-vitro
COc1cccc(/C=C\C(C)=N/NC(N)=O)c1	17141568	DYBUEYNUGBEMAS-INONQXMXSA-N	233.271	1.753	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	18300	MSPDWOWDLGZHHQ-UUILKARUSA-N	232.070	1.996	50	40	BDGB	
C/C=C(/C)C(=O)N/N=C/c1ccc(O)cc1O	1573980	OUYUXAASAYULAM-FOHRHFHCSA-N	234.255	1.514	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccccc1	4693419	ZMTYYELIIJPWED-UKTHLTGXSA-N	201.229	1.440	50	40	BDGB	
O=S1(=O)C[C@H](Cl)[C@H](/N=C/c2ccoc2)C1	5906461	BDWCKLLSYPIWKK-QRCGAGKZSA-N	247.703	1.103	50	40	BDGB	
CC(C)CC/C(=N\NC(N)=O)C1CCOCC1	17158245	DGNLSQZAQZZJCJ-SDNWHVSQSA-N	241.335	1.874	50	40	BDGB	
Cc1cc(B(O)O)ccc1-c1ccccc1	202560997	FVHZTYOYTDWLFT-UHFFFAOYSA-N	212.057	1.342	50	40	BDGB	
NC(=O)N/N=C1/CCc2ccccc2C1	6576096	DGQZCBCOGSEJTM-RAXLEYEMSA-N	203.245	1.200	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/NC(C)=CS1	104010936	ZMSOLNZMTOVOLM-FPLPWBNLSA-N	210.258	1.482	50	40	BDGB	
O=Cc1sc(=O)n(CCCl)c1Cl	10152201	RSYVJGLBXLEGQC-UHFFFAOYSA-N	226.084	1.615	50	40	BDGB	
O=C1C[C@H](Cl)C(=O)N1c1ccccc1	100354222	NITPIKUGPTUBJE-QMMMGPOBSA-N	209.632	1.557	50	40	BDGB	
CC(C)(C)c1ccc(/C=N\NC(N)=O)cc1	33399665	GOSSPRFLJFXHNK-ZSOIEALJSA-N	219.288	1.986	50	40	BDGB	
CCC(=O)NNC(=O)c1cccc(Cl)c1	112834	XWCPHMIBIXJPRW-UHFFFAOYSA-N	226.663	1.511	50	40	BDGB	
CC(C)O[P@@](=O)(CCl)OCCO	5456697	XSFSLBAJGQKTEZ-GFCCVEGCSA-N	216.601	1.810	50	40	BDGB	
NNC(=O)CNc1nc(-c2ccccc2)cs1	13535226	LEZCFJHUGLYXCA-UHFFFAOYSA-N	248.311	1.212	50	40	BDGB	
CC(/C=C/c1ccc([N+](=O)[O-])o1)=N/NC(N)=O	17313383	CINUUHOYDXCJFA-OKAJUWNNSA-N	238.203	1.245	50	40	BDGB	
CCCCC[C@H]1[C@H](O)CC[C@@H]1CC(=O)NN	2286038	LEMDCLIXAOKCTJ-GMTAPVOTSA-N	228.336	1.334	50	40	BDGB	
COc1ccc(C(C)C)cc1C(=O)NN	57339230	RGNSMFLCZDXPKG-UHFFFAOYSA-N	208.261	1.422	50	40	BDGB	
C=CCOc1ccc(C(=O)NNC(=O)CC)cc1	14019138	AZWBAMCZYAOMGD-UHFFFAOYSA-N	248.282	1.422	50	40	BDGB	
CCO[C@H]1OC(C#N)=CC[C@@H]1Br	4267770	FVEVVLHSCTXKGH-YUMQZZPRSA-N	232.077	1.940	50	40	BDGB	biogenic
O=C(CCl)c1ccc(O)c2[nH]c(=O)ccc12	39436501	ZXYHUDMEPGYCDF-UHFFFAOYSA-N	237.642	1.655	50	40	BDGB	
C/C(=N/NC(N)=O)c1ccc(C)c(C)c1	38200795	GAVDZFWYWOPYEU-LCYFTJDESA-N	205.261	1.696	50	40	BDGB	
CC(C)OC(=O)C(F)(F)[S@](=O)Cl	137625983	UJRYYXKEZOZJPB-GFCCVEGCSA-N	220.624	1.433	50	40	BDGB	
CC(C)(C#N)N(C(=O)CCl)C1CC1	4205260	KZGMITNDXJAVHH-UHFFFAOYSA-N	200.669	1.518	50	40	BDGB	
Br[C@H]1CCO[C@@H]1Br	100076536	SJWJMCVIJLKQIT-IMJSIDKUSA-N	229.899	1.891	50	40	BDGB	
Cc1csc(C(=O)NNC(=O)CCl)c1	160009	OCSFJXWDMXMKJA-UHFFFAOYSA-N	232.692	1.056	50	40	BDGB	
CC(=O)N/N=C(/C)[C@@H]1COc2ccccc2O1	477632	DDNTYJQUXYLCFF-OEMOTLHWSA-N	234.255	1.338	50	40	BDGB	
Cc1ccc(/C=N\NC(=O)c2cnccn2)cc1	30855900	JWOZQYYTUNWYCE-PXNMLYILSA-N	240.266	1.549	50	40	BDGB	
COC(=O)c1sccc1NC=C(C#N)C#N	140700	ZZAPCPPWXKPBCB-UHFFFAOYSA-N	233.252	1.878	50	40	BDGB	
O=C(N/N=C/c1ccco1)N/N=C/c1ccco1	37742	CKCJEXVEYBYRIP-INOXDZRUSA-N	246.226	1.540	50	40	BDGB	
O=NN(CCF)C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2	4933996	LESTWYVGWLZSMR-VGMNWLOBSA-N	229.255	1.838	50	40	BDGB	
C[C@@H](Cl)C(=O)NNC(=O)c1ccc(F)cc1	12505072	MJFLYPJTJRUMBN-ZCFIWIBFSA-N	244.653	1.214	50	40	BDGB	
CC(C)(C)OC(=O)CC(=O)CC(=O)CCl	100027608	YNYSBGCKDNJMLE-UHFFFAOYSA-N	234.679	1.485	50	40	BDGB	
COc1ccccc1OCC(=O)NNC(C)C	5481847	VCNUCPNQSGGYRD-UHFFFAOYSA-N	238.287	1.103	50	40	BDGB	
I[C@H]1CCCOC1	39191003	QVJRNESQUGVQKG-YFKPBYRVSA-N	212.030	1.600	50	40	BDGB	
CC(C)N(C(=O)CCl)[C@@H]1CCN(C)C1	79406603	IYQVDPIBAMQYFD-SECBINFHSA-N	218.728	1.166	50	40	BDGB	
Br[C@H]1CCc2oncc2C1	575425876	ZKVHWAVWGBLCEG-LURJTMIESA-N	202.051	1.927	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccsc1	208492157	HHPGLNFYYVASMY-UITAMQMPSA-N	206.270	1.743	50	40	BDGB	
CC1(C)C(C#N)=C2SCCN2C(=O)[C@H]1C#N	32874	MELRPBAXTKGVPH-SSDOTTSWSA-N	233.296	1.477	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/C=C/c1ccccc1	100429627	XOWPPFGMBUWMBZ-BOVAITSXSA-N	222.251	1.988	50	40	BDGB	
COc1cc(OC)cc(C(=O)NCCCl)c1	1668046	ZSWIOWBGDNDEAN-UHFFFAOYSA-N	243.690	1.672	50	40	BDGB	
CCCCc1nc2ccccc2n1CC(=O)NN	3278128	JRDXIJREGNPHMF-UHFFFAOYSA-N	246.314	1.369	50	40	BDGB	
CCC12C[C@H]3C[C@H](C1)CC(C(=O)NN)(C3)C2	100730948	DONLGDYVQBVZQI-ITSCGTHASA-N	222.332	1.973	50	40	BDGB	
COCOCCI	38271940	QVWHVTFBSVIBJM-UHFFFAOYSA-N	216.018	1.042	50	40	BDGB	
CCCCNP(=O)(N1CC1)N1CC1	95705457	OTQJNESRMYNQOR-UHFFFAOYSA-N	203.226	1.115	50	40	BDGB	
CC(=O)O[C@@H](CSC#N)SC#N	3187398	LVBJPMDHKYKCEM-ZCFIWIBFSA-N	202.260	1.304	50	40	BDGB	
N#C/C(=C\c1ccco1)C(=O)NC1CC1	20823531	NVLQKVXLIXQLGN-SOFGYWHQSA-N	202.213	1.465	50	40	BDGB	
C=CCOc1c(/C=N/NC(N)=O)cccc1OC	4551605	QHZSAFXFYFNVJW-RIYZIHGNSA-N	249.270	1.262	50	40	BDGB	
Cn1cccc1CC(=O)N/N=C\c1ccccc1	32576892	ASRBODJXWKHSDD-PTNGSMBKSA-N	241.294	1.718	50	40	BDGB	
NNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	40537909	OUFHGNDDJFNACV-UHFFFAOYSA-N	247.210	1.458	50	40	BDGB	
Cc1ccc2c(c1)/C(=N/NC(N)=O)CCC2	5742311	HVWRKLPHNBPWQE-SDNWHVSQSA-N	217.272	1.704	50	40	BDGB	
COC1=CC(=O)c2c(c(CCl)cn2C)C1=O	13557531	VDUQWMOWAAPBNN-UHFFFAOYSA-N	239.658	1.673	50	40	BDGB	
CN(C)CC1CCN(C(=O)CCl)CC1	37654262	CHLUJXKYDBTSMS-UHFFFAOYSA-N	218.728	1.025	50	40	BDGB	
CN(Cc1cnc(Cl)s1)C(=O)CCl	79421986	HBUAGWFRJGTACD-UHFFFAOYSA-N	239.127	1.994	50	40	BDGB	
COc1ccc(/C(C=O)=C/N(C)C)cc1	32836302	WPKNYBNGZIOLDO-DHZHZOJOSA-N	205.257	1.797	50	40	BDGB	in-vitro
O=C1[C@H](Br)CCN1C1CC1	34481081	FLMMYHHUFMMQRD-ZCFIWIBFSA-N	204.067	1.145	50	40	BDGB	
Cc1noc(-c2cccs2)c1C(=O)NN	120952	ZOEZIGXZFKVVFJ-UHFFFAOYSA-N	223.257	1.315	50	40	BDGB	
C[C@H]1CN(C(=O)C(Cl)Cl)C(C)(C)O1	1850417	YNQSILKYZQZHFJ-YFKPBYRVSA-N	226.103	1.774	50	40	BDGB	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CCl	2661402	RZMQRXRWKFLFEN-JGVFFNPUSA-N	232.711	1.630	50	40	BDGB	
IC[C@@H]1CCCCO1	14983079	CEPXWUHXEXKVLW-LURJTMIESA-N	226.057	1.991	50	40	BDGB	
COc1ccc(/C=C(/C#N)C(=O)N(C)C)c(C)c1	408854409	FIEVPVNKHJVNGL-WQLSENKSSA-N	244.294	1.999	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1ccccc1OC	33302246	ADJPXLRMLRBSEV-YFHOEESVSA-N	216.240	1.348	50	40	BDGB	
CCNC(=O)NNC(=O)c1cccc(Cl)c1	43469083	GSDUJMUMAFFIFH-UHFFFAOYSA-N	241.678	1.304	50	40	BDGB	
CCOCc1cc(=O)[nH]c(CCl)n1	95093985	VBTJCHOIPXYQSW-UHFFFAOYSA-N	202.641	1.045	50	40	BDGB	
Cn1ncc2c1CC[C@H](Br)C2	575425596	UAJDCIKRUFTAEL-ZETCQYMHSA-N	215.094	1.672	50	40	BDGB	
C/C=C\c1ccc(OCC(=O)NN)c(OC)c1	16137339	UNXIONSTJSRLEX-ARJAWSKDSA-N	236.271	1.097	50	40	BDGB	
COC[C@@H](OC)[C@@H](CC=C(C#N)C#N)OC	1628964	MQMXFBSFZANTIS-GHMZBOCLSA-N	224.260	1.026	50	40	BDGB	
N#C/C(=C/c1ccc(F)c(F)c1)C(N)=O	97054214	SDWBBBCCHVDJHI-CLTKARDFSA-N	208.167	1.357	50	40	BDGB	in-vitro
CCCCN[P@@](=O)(N1C[C@@H]1C)N1C[C@H]1C	301054438	MNJWJJQISCMYRF-RSZDDRISSA-N	231.280	1.892	50	40	BDGB	
NC(=O)c1cncc(CBr)c1	72204043	GTLJDFYBEGPHSU-UHFFFAOYSA-N	215.050	1.075	50	40	BDGB	
[N-]=[N+]=N/C=C\C(=O)OCCBr	5760463	AKIYUJWNPUDUAA-IWQZZHSRSA-N	220.026	1.749	50	40	BDGB	
CC(/C=C\c1ccc(O)cc1)=N\NC(N)=O	17141575	IKDJOJMSRRXVBV-APVINEOESA-N	219.244	1.450	50	40	BDGB	
N=C(NNC(=O)c1ccccc1)c1ccccc1	28370	HFXWIIMKXOPWPZ-UHFFFAOYSA-N	239.278	1.947	50	40	BDGB	
CC(=O)n1c(C)c(C(=O)NN)c2ccccc21	216948929	NWCIOIRXHLKMHZ-UHFFFAOYSA-N	231.255	1.213	50	40	BDGB	
CCOC(=O)/C=C(/C)CBr	2569564	JIPWHZOYUGYXFA-XQRVVYSFSA-N	207.067	1.891	50	40	BDGB	in-vitro
Cc1cc(C)n(/C(=C/C#N)C(C)(C)O)n1	249718	VVVJHXUONIZUKG-BJMVGYQFSA-N	205.261	1.635	50	40	BDGB	
N#CC1=C(N)n2ncnc2N[C@H]1c1ccccc1	18199175	XGOXBJKDUOBVLU-JTQLQIEISA-N	238.254	1.096	50	40	BDGB	
COc1ccccc1[C@@H]1CCC(=O)OC1=O	104666726	UFIYTDUYTMHFJS-VIFPVBQESA-N	220.224	1.642	50	40	BDGB	
CC(C)Cn1nccc1NC(=O)CCl	38341978	LECIRESSUIYQEI-UHFFFAOYSA-N	215.684	1.716	50	40	BDGB	
FC(F)(F)[C@@H](Br)COC[C@H]1CO1	1083807921	CLVRTYMKWAIHGQ-WHFBIAKZSA-N	249.026	1.728	50	40	BDGB	
CC(C)(C)[C@@]1(F)OC(N)=C(C#N)C1=C(C#N)C#N	100252783	PURWANMJENJSAB-LBPRGKRZSA-N	246.245	1.766	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1	290432	RCBWIWZZJPDWRU-UITAMQMPSA-N	233.223	1.481	50	40	BDGB	
O=C(N/N=C/c1cccnc1)c1cccc(O)c1	1463786	YCAKZDZEBQHNNO-OQLLNIDSSA-N	241.250	1.551	50	40	BDGB	
COC(=O)NNC(=O)/C=C/c1ccccc1	2132453	UOOOPYWILUPEPM-BQYQJAHWSA-N	220.228	1.087	50	40	BDGB	
C=C(C#N)[C@](O)(c1nccn1C)C(F)(F)F	8725302	UEJLSDHZGOZSHN-QMMMGPOBSA-N	231.177	1.250	50	40	BDGB	
CC(C)N(C(=O)CCl)[C@@H]1CCCN(C)C1	79406630	COOURIVEHYRLLE-SNVBAGLBSA-N	232.755	1.556	50	40	BDGB	
CC(=O)/C(C)=N/NC(=O)c1ccccc1O	16957362	ZCRMVSLYFOEUHX-KPKJPENVSA-N	220.228	1.087	50	40	BDGB	
CC[C@@H](C)NC(=O)C/C(C)=N\NC(=O)C(C)C	14922874	OWYHDWGZSYDQTC-OLULMYBYSA-N	241.335	1.439	50	40	BDGB	
COC(=O)N/N=C/c1ccc(N(C)C)cc1	182626	WSBYAMLSZOGPJK-XYOKQWHBSA-N	221.260	1.443	50	40	BDGB	
O=C(NNc1cccc(F)n1)C(F)(F)F	1392500	NQBFRMZXKNAFAR-UHFFFAOYSA-N	223.129	1.226	50	40	BDGB	
CCOC(=O)N1CCC[C@H]1C(=O)Cl	39057274	QTIHPNVUSJGZPM-LURJTMIESA-N	205.641	1.373	50	40	BDGB	
COC(=O)/C(C#N)=C\Nc1cccc(OC)c1	17820138	YLXKXVRYMSAIEC-HJWRWDBZSA-N	232.239	1.688	50	40	BDGB	
O=C(CI)c1ccc[nH]1	1674530	NISYNPCUTHPSJA-UHFFFAOYSA-N	235.024	1.632	50	40	BDGB	
O=C(N/N=C/c1cccnc1)c1ccc(F)cc1	253942	QMBFOYDNLPUECS-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
COC(=O)N/N=C/c1ccc(OC)cc1	491931	HVTAEZXFSJVGMG-YRNVUSSQSA-N	208.217	1.385	50	40	BDGB	
O=C1C[C@H]2[C@H](Br)C[C@H]1[C@H]2C(=O)O	225629578	BXXPKNCQABBGDK-OHKRPGQBSA-N	233.061	1.060	50	40	BDGB	
CN(C)c1cc(NC(=O)CCl)ccn1	257197711	GVMGDTJJGBTHTG-UHFFFAOYSA-N	213.668	1.325	50	40	BDGB	
C[C@@H](CCl)OCCOCCCl	5515597	ABPWHFHVXRVRBQ-ZETCQYMHSA-N	201.093	1.886	50	40	BDGB	
ClCCNC[C@@H]1COc2ccccc2O1	4538686	PKZFUWGMQAHXSA-SECBINFHSA-N	227.691	1.655	50	40	BDGB	
CC(C)(CC(=O)NNc1ccccc1)C(=O)O	1654105	AILJCHFEUXEQIM-UHFFFAOYSA-N	236.271	1.631	50	40	BDGB	
O=C(Cl)c1ccnc(C(=O)Cl)c1	59230785	LBVLFXJMODAWMN-UHFFFAOYSA-N	204.012	1.840	50	40	BDGB	
CC(C)=NNC(=O)C(=O)Nc1ccccc1C	58885863	FHOPLWAFHIOKMM-UHFFFAOYSA-N	233.271	1.446	50	40	BDGB	
CC[C@@H](C)n1c(CCOC)ccc1C(=O)NN	226030515	OZTKGZQLWXKTGH-SECBINFHSA-N	239.319	1.252	50	40	BDGB	
CC(C)(C)[C@H](O)[C@H](Cl)S(C)(=O)=O	96518896	QXAOPBFAOMFYPF-PHDIDXHHSA-N	214.714	1.003	50	40	BDGB	
NC[C@@H](Br)CCCBr	5829089	HXZHWGZUFLKUEZ-YFKPBYRVSA-N	244.958	1.884	50	40	BDGB	
CS(=O)(=O)Sc1ccccc1C(=O)O	1714921	BWTDRLITNJCZIX-UHFFFAOYSA-N	232.282	1.437	50	40	BDGB	
COC[C@H](OC)[C@@H](CC=C(C#N)C#N)OC	1628963	MQMXFBSFZANTIS-MNOVXSKESA-N	224.260	1.026	50	40	BDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(C)C)cc1	59384093	WDJQDMVYXUYVPN-RIYZIHGNSA-N	248.282	1.579	50	40	BDGB	
O=C1N[C@H](Cc2cccc(F)c2)C(=O)O1	238532169	AQPGFQSDVCECCV-MRVPVSSYSA-N	209.176	1.003	50	40	BDGB	
Cc1cc(NNC=O)nc(Cc2ccccc2)n1	5501468	RDSSWASMYZFOQP-UHFFFAOYSA-N	242.282	1.449	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1cccnc1	6513199	BEXFASSOPPNCSB-WDZFZDKYSA-N	215.256	1.513	50	40	BDGB	
O=C(NN=C(CCl)CCl)c1cccnc1	66032810	GLTWTRRLUMEHFZ-UHFFFAOYSA-N	246.097	1.645	50	40	BDGB	
CC[C@H]1CCc2sc(C(=O)NN)cc2C1	2536928	KSBSVFQASIUMJI-ZETCQYMHSA-N	224.329	1.867	50	40	BDGB	
Cc1cc2c(c(SCCl)n1)C(=O)NC2=O	162946	TZIZDDBOVPGNQG-UHFFFAOYSA-N	242.687	1.562	50	40	BDGB	
CC(=O)NNc1ncc(Cl)cc1Cl	4499630	PTNMCEQVWYTVOS-UHFFFAOYSA-N	220.059	1.851	50	40	BDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)c(C)o1	26991641	SNDNIAWUMHSLHW-HZGVNTEJSA-N	236.271	1.313	50	40	BDGB	
C[C@@H]1CN1[P@@](=O)(Nc1ncccn1)N1CC1	104247785	HMPLJIBDNSNMQE-RKCYIQMWSA-N	239.219	1.016	50	40	BDGB	
Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NN	223454642	RJXOULFNQPGLNR-UHFFFAOYSA-N	246.245	1.195	50	40	BDGB	
CS(=O)(=O)[C@H](Cl)C(=O)c1cccc(N)c1	96517761	OPZRZXHRBVZKMO-VIFPVBQESA-N	247.703	1.061	50	40	BDGB	
Cc1cc(C(=O)CBr)on1	21982269	HRRCOIFSSWCOEA-UHFFFAOYSA-N	204.023	1.561	50	40	BDGB	in-vitro
CCCC[C@H](NC(=O)C(Cl)Cl)C(=O)O	1608644	XUZKQHYCZAQASQ-YFKPBYRVSA-N	242.102	1.550	50	40	BDGB	
COC[C@@H]1CCCN(C(=O)CCl)C1	59820808	OJMZIDMISUVNMH-MRVPVSSYSA-N	205.685	1.110	50	40	BDGB	
COc1cc(/C=N/NC(C)=O)cc(Cl)c1O	58628860	NKGJLKDANQLAQJ-LFYBBSHMSA-N	242.662	1.524	50	40	BDGB	
C[C@@]12C(=O)OC(=O)[C@]1(C)[C@@H]1C=C[C@H]2CC1	104125497	UHRNOXDFVDHLIG-IVQVNHIISA-N	206.241	1.678	50	40	BDGB	
CSc1ccc(/C=N/NC(=O)CC#N)cc1	59434528	RCJIIPILJSELJR-MDWZMJQESA-N	233.296	1.772	50	40	BDGB	
COC(=O)CC1(CBr)CC1	35274294	PNDWPPJIBOBEOE-UHFFFAOYSA-N	207.067	1.725	50	40	BDGB	in-vitro
CN(C)/C=C(C#N)\C=C\C(=O)C(F)(F)F	37263057	TUGAEQANYNUJPL-FZWLCVONSA-N	218.178	1.643	50	40	BDGB	
O=C(CCl)NCCOc1ccc(F)cc1	41258269	VUQUOXAARMCAEE-UHFFFAOYSA-N	231.654	1.560	50	40	BDGB	in-vitro
NC(=O)N/N=C1/C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12	102886618	VFNYTWHRVSBLAG-CRHOGPCLSA-N	205.261	1.243	50	40	BDGB	
ClCc1cc(CN2CCOCC2)on1	34936270	FZRKHZMWHFBKDV-UHFFFAOYSA-N	216.668	1.246	50	40	BDGB	in-vitro
C[C@@H](Cl)C(=O)c1ccc2c(c1)CC(=O)N2	11770389	BESQJFHKNJTFCI-ZCFIWIBFSA-N	223.659	1.991	50	40	BDGB	
CC(=O)NNC(=O)c1ccccc1/N=N/N(C)C	18116631	FQDJWHJXBJLHQA-FYWRMAATSA-N	249.274	1.028	50	40	BDGB	
O=C(CCl)OCc1ccc([N+](=O)[O-])o1	1690563	KRWLBDULKGWLPN-UHFFFAOYSA-N	219.580	1.470	50	40	BDGB	
CCCC(=O)NNC(=O)c1ccoc1C	2134205	BUMXVZGNLUKIQJ-UHFFFAOYSA-N	210.233	1.149	50	40	BDGB	
NC(=O)N/N=C/C(Cl)=C/c1ccccc1	3525118	NNPZEWOFLIZBOS-XGLIJBRHSA-N	223.663	1.920	50	40	BDGB	
CCCc1ccc(C(=O)NN)n1C(C)C	226026034	SNGGEZHJKIDMJQ-UHFFFAOYSA-N	209.293	1.625	50	40	BDGB	
Cc1ccc(Cl)cc1NC(=S)NNC=O	16972845	QVCIFVQYRSOWHN-UHFFFAOYSA-N	243.719	1.596	50	40	BDGB	
Cc1ccc(C(=O)N/N=C\c2ccncc2)cn1	30802916	RLNFLYHNPVNIDX-PXNMLYILSA-N	240.266	1.549	50	40	BDGB	
C[C@@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O	3882799	FVLYPXOSHYZOPT-LURJTMIESA-N	237.642	1.437	50	40	BDGB	
O=CN/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	3225253	RYRZVLHKXJNQNC-XCVCLJGOSA-N	243.606	1.034	50	40	BDGB	
N#CC(C#N)=C1C(O)=Nc2ccc([N+](=O)[O-])cc21	4675640	ZMYPWDDPVIUWHA-UHFFFAOYSA-N	240.178	1.997	50	40	BDGB	
N#CC(C#N)=C(N)[C@@H](C#N)Cc1ccc(C#N)cc1	18156098	IUYXZVKLRACNRA-GFCCVEGCSA-N	247.261	1.501	50	40	BDGB	
CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)OC(=O)[C@H]12	225635835	LEVGEMOUBVHJCN-YIKMNZTOSA-N	204.225	1.454	50	40	BDGB	
C/C(=C(/C#N)C(N)=O)c1ccc(F)c(F)c1	12398379	LKIKOZGDWHERKY-SOFGYWHQSA-N	222.194	1.747	50	40	BDGB	
O=C(CCl)Nc1cc2ccccc2oc1=O	1614069	VPOZFBFMRSTGOI-UHFFFAOYSA-N	237.642	1.970	50	40	BDGB	
CC(C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3161178	DDVYNNIMSYADCA-KPKJPENVSA-N	235.243	1.701	50	40	BDGB	
CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C	100102416	RTIIPUBJZYTAMU-ZETCQYMHSA-N	243.259	1.925	50	40	BDGB	
CCNC(=O)NNC(=O)c1cc2ccccc2o1	65191255	KNHVHXFLABXYKS-UHFFFAOYSA-N	247.254	1.397	50	40	BDGB	
CC(C)CC(=O)NNC(=O)c1ccco1	12853662	VCEMIPKEGSOCNO-UHFFFAOYSA-N	210.233	1.087	50	40	BDGB	
Cc1ccsc1/C=C(/C#N)C(=O)NC(N)=O	409232873	IVIUJSPCEQONAV-DAXSKMNVSA-N	235.268	1.158	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/C[C@@H](C)N(C)C[C@@H]1C	31829083	BDKQNXZHEKKITA-FQHHDQPRSA-N	236.315	1.730	50	40	BDGB	
CCOC(=O)N/N=C/c1ccccc1O	171995	SRFNPEDVDROBQF-YRNVUSSQSA-N	208.217	1.472	50	40	BDGB	
N#CCC(=O)N/N=C/c1cccc(Cl)c1	224643	AVBIFOTZQYXKFQ-NTUHNPAUSA-N	221.647	1.704	50	40	BDGB	
CCO/N=C1/CCC[C@H]1SS(=O)(=O)O	16922851	VBOAULZTUATPRP-QHRPWQPMSA-N	239.318	1.467	50	40	BDGB	
CC(C)(C)OC(=O)N/N=C/c1cccnc1	184377	UHKLSNBEFVOBMA-MDWZMJQESA-N	221.260	1.940	50	40	BDGB	
CN1CCC(=NNC(=O)Cc2ccccc2)CC1	55074070	DVNYNXNGBDDCRA-UHFFFAOYSA-N	245.326	1.427	50	40	BDGB	
CC1(C)[C@@H]2CC[C@]1(CBr)C(=O)C2=O	100487172	XJXZFLDQSFSDQK-LDWIPMOCSA-N	245.116	1.956	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)C2CCC2)n1	29066096	YOAAGETUDJDXHH-UHFFFAOYSA-N	220.276	1.337	50	40	BDGB	
CCc1ccc(/C(C)=N\NC(N)=O)cc1	32561938	NXXOKKAFRUVZKJ-JYRVWZFOSA-N	205.261	1.641	50	40	BDGB	
C=C(CCl)C[Si](OC)(OC)OC	196851722	GXGGOCHUJJTJGF-UHFFFAOYSA-N	210.733	1.660	50	40	BDGB	
O=C(CCl)NCCCOc1ccccc1F	41296729	ZCCBCGSBIOWZQB-UHFFFAOYSA-N	245.681	1.950	50	40	BDGB	in-vitro
CSC(=NNC(=O)CC#N)SC	5362148	PXZUVCHDDPZWAY-UHFFFAOYSA-N	203.292	1.013	50	40	BDGB	
C=CCNC(=S)NNC(=O)c1ccccc1C	6218013	MHIYQGCTDBYPGI-UHFFFAOYSA-N	249.339	1.290	50	40	BDGB	
Cn1cc(Cl)cc/c1=N\C=C(C#N)C#N	4772791	LXVFQVQQGXMBJD-GXDHUFHOSA-N	218.647	1.510	50	40	BDGB	
O=C(CBr)[C@@H]1CCCOC1	87224442	UTAFXIDNWNMWQF-ZCFIWIBFSA-N	207.067	1.377	50	40	BDGB	
COc1ccc(OC)c([C@H]2NC(=O)OC2=O)c1	1772715054	WRZZTZUFMSEOHY-SECBINFHSA-N	237.211	1.011	50	40	BDGB	
C[Si](C)(C)OC(=O)C#CC(F)(F)F	1848351039	KWNMIYUIMIJFIA-UHFFFAOYSA-N	210.227	1.930	50	40	BDGB	
O=C(Cn1cccn1)N/N=C/c1cccs1	2744007	MWXAZFUFPZXCBF-YRNVUSSQSA-N	234.284	1.095	50	40	BDGB	
N#CC(C#N)=CNc1ccccc1C(N)=O	2543605	NOJLELUSFNKMCY-UHFFFAOYSA-N	212.212	1.128	50	40	BDGB	
CC(=O)N/N=C1\CCCC[C@H]1CCC#N	408720188	VQTNFGBRZXTCSM-AYDSOBSRSA-N	207.277	1.972	50	40	BDGB	
O=CN/N=C\c1cc(Br)ccc1O	35363193	PESMXXQWCZSXOS-WMZJFQQLSA-N	243.060	1.235	50	40	BDGB	
COc1cccc(/C=N/C(C#N)=C(/N)C#N)c1O	91302307	HYPOJQUWLSUZGN-LWIWBOQWSA-N	242.238	1.037	50	40	BDGB	
CC(C)(C)C(=O)[C@H](Cl)S(C)(=O)=O	96517779	BCAAPNUIBAZDJD-ZCFIWIBFSA-N	212.698	1.211	50	40	BDGB	
C[C@@H]1NN[C@@H](C(F)(F)F)[C@H]1Br	585665285	RAGJAWZFQWQCFB-YVZJFKFKSA-N	233.031	1.177	50	40	BDGB	
C/C(CC[C@H](CC(=O)O)C(C)C)=N\NC(N)=O	5104401	CTGNZQZUICOFQC-TVNQGELYSA-N	243.307	1.558	50	40	BDGB	
COc1cccc(/C=C\C(C)=N\NC(N)=O)c1	17141570	DYBUEYNUGBEMAS-JMMFLXOCSA-N	233.271	1.753	50	40	BDGB	
C/C(=N\NC(N)=O)c1cc(Cl)ccc1O	5370176	VLNMYVUFQRLIJU-LFYBBSHMSA-N	227.651	1.438	50	40	BDGB	
C[C@@H](Br)[C@H](O)C(F)(F)F	4329273	ZYTIKOBNGZIVKJ-GBXIJSLDSA-N	206.989	1.693	50	40	BDGB	in-vitro
C/C(CCc1ccc(O)cc1)=N\NC(N)=O	4474242	IQXPOOXWSXNCCC-MDWZMJQESA-N	221.260	1.369	50	40	BDGB	
O=C(CCl)Nc1cc(Cl)ccn1	83344284	MEWXEJGENVWYAE-UHFFFAOYSA-N	205.044	1.912	50	40	BDGB	
NC(=O)N/N=C(/c1ccccc1)C1CCC1	16928496	XSKGLCLDBBJUDK-KAMYIIQDSA-N	217.272	1.859	50	40	BDGB	
CC(=O)N[C@H]1CCCC[C@@H]1Br	5378252	KUJIXOFYXFYBGA-YUMQZZPRSA-N	220.110	1.829	50	40	BDGB	
CC(C)c1ccccc1OCC(=O)NN	578691	XGRQTKIZTSJXQS-UHFFFAOYSA-N	208.261	1.179	50	40	BDGB	in-vitro
N#C/C(=C/c1ccc(O)c(O)c1)C(N)=S	57526	ZGHQGWOETPXKLY-CLTKARDFSA-N	220.253	1.291	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Br)o1	1664803	FOGHSNXQLBFKQP-YCRREMRBSA-N	232.037	1.044	50	40	BDGB	
O=C(CCl)Nc1ccc(C(=O)O)c(O)c1	1685745	LKNVVXVUHMODPX-UHFFFAOYSA-N	229.619	1.268	50	40	BDGB	
CCC(CC)C(=O)NNC(=O)c1cccs1	4833061	FVENQMKHNLGEKS-UHFFFAOYSA-N	240.328	1.945	50	40	BDGB	
CCS(=O)(=O)[C@H](Cl)Br	110763310	IHSBVWONKSWOOF-VKHMYHEASA-N	221.503	1.338	50	40	BDGB	
O=C1N[C@@H](c2ccc(F)c(Cl)c2)C(=O)O1	1772714629	AEYHLNZENVPCNK-ZETCQYMHSA-N	229.594	1.787	50	40	BDGB	
CCOC(=O)/C(C#N)=C(/O)C(F)(F)F	100218975	AVMJFZFKRGVYIC-SNAWJCMRSA-N	209.123	1.447	50	40	BDGB	
CCC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl	1689458	WBBGWGCORSOFGS-NJGYIYPDSA-N	248.537	1.632	50	40	BDGB	
C[C@@H]1CCC[C@@H](C)N1NC(=O)NCCCl	1623535	NLEASRWRTNQMEE-RKDXNWHRSA-N	233.743	1.702	50	40	BDGB	
NNC(=O)C1(c2ccccc2)CCCCC1	21986632	XABBLCCSPHWVIQ-UHFFFAOYSA-N	218.300	1.878	50	40	BDGB	
Cn1/c(=N\NC(=O)C2CC2)sc2ccccc21	103050296	XSHMKKJXAHPZHE-WYMLVPIESA-N	247.323	1.582	50	40	BDGB	
CS/C(N)=C(C#N)/C(C#N)=C(/N)SC	100420652	LBQNBMSPTURKGS-CGXWXWIYSA-N	226.330	1.100	50	40	BDGB	
CCOC(=O)CN/C=C(\C#N)c1ccccc1	7036845	ZWSNLJIIALDCAC-FMIVXFBMSA-N	230.267	1.704	50	40	BDGB	
C[C@@H]1[C@H](Br)C=CS1(=O)=O	12173608	YQFCYPJLLJAPJV-RFZPGFLSSA-N	211.080	1.081	50	40	BDGB	
O=C(CCl)c1cnc(N2CCOCC2)s1	16383523	YEODZRKKHAAVKH-UHFFFAOYSA-N	246.719	1.401	50	40	BDGB	
O=C(CCl)OCc1ccc2c(c1)OCO2	1608734	OOLGQDFBONNDEU-UHFFFAOYSA-N	228.631	1.697	50	40	BDGB	
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCl	103534583	IYYFXHLVDINJAI-SFYZADRCSA-N	248.109	1.743	50	40	BDGB	
O=C(CCl)NC[C@H]1C[C@@H]2CC[C@@H]1C2	100977043	DEMBNIDNLWDHLT-IWSPIJDZSA-N	201.697	1.778	50	40	BDGB	
CC(=O)CN1c2ccccc2[C@@H](Cl)[C@@H]1C=O	9096348	VKQCIGDZSLAMBT-NWDGAFQWSA-N	237.686	1.943	50	40	BDGB	
CC(=O)N/N=C\c1c(C)n(C)c2ccccc12	408849916	AUVVMISBNJIYAJ-ZSOIEALJSA-N	229.283	1.957	50	40	BDGB	
C[C@]12C[C@H](C(C#N)=C(N)N1)c1ccccc1O2	244950	MFJLVQPMXNDGLJ-ZANVPECISA-N	227.267	1.566	50	40	BDGB	
COc1cc(/C=N/NC(=O)C(C)C)ccc1O	3161180	YDPKFOHLHWDTAN-NTUHNPAUSA-N	236.271	1.507	50	40	BDGB	
CCCCCCNP(=O)(N1CC1)N1CC1	104375048	QHTLFZMIYJSQCM-UHFFFAOYSA-N	231.280	1.896	50	40	BDGB	
Cc1c(C#N)sc(NC(=O)CCl)c1C#N	3311552	YJFWQWAWGIMLCU-UHFFFAOYSA-N	239.687	1.977	50	40	BDGB	
Cc1csc([C@H](C#N)C(=O)CCl)n1	4206009	PNGLQTHQSOANNR-ZCFIWIBFSA-N	214.677	1.867	50	40	BDGB	in-vitro
C/C(=N\NC(=O)c1cc(C)n[nH]1)C(C)(C)C	18324559	RRCQXKXYASCIBU-MDWZMJQESA-N	222.292	1.870	50	40	BDGB	
CC(C)(C)[Si](C)(C)c1ccsc1B(O)O	212148237	LRXSBGVPZIRDEU-UHFFFAOYSA-N	242.225	1.143	50	40	BDGB	
O=C(NNC(=O)C1CCCC1)c1ccccc1O	8878342	XNMOUFSECDIYOI-UHFFFAOYSA-N	248.282	1.343	50	40	BDGB	
COc1cc(/C=C\C=O)ccc1OC(C)=O	4976052	VEKAJHBFBMWJKI-ARJAWSKDSA-N	220.224	1.833	50	40	BDGB	
CC1(C)[C@H]2CC[C@@]1(C(=O)Cl)C(=O)C2=O	100102154	VSGWZEXTHLODJA-RRAGMBSWSA-N	214.648	1.326	50	40	BDGB	
C[C@H]1CN1P(=O)(N1CCCC1)N1C[C@@H]1C	104371469	RWWTZZHUOSWAPK-YYQOKVQXSA-N	229.264	1.599	50	40	BDGB	
CC1(CCI)COC1	104840525	XSQQVGJMRHBMQC-UHFFFAOYSA-N	226.057	1.848	50	40	BDGB	
NNC(=O)Nc1cccc(Br)c1	36948219	LDCBIQUAEJGNQA-UHFFFAOYSA-N	230.065	1.444	50	40	BDGB	
Cc1nc2ccc(C(=O)NN)cc2s1	207711507	HOHXGMSFJZNBCP-UHFFFAOYSA-N	207.258	1.208	50	40	BDGB	
C/C(=N/NC(=O)c1ccc(N)cc1)C1CC1	12362205	AKPCNQGGRFMTMI-ZSOIEALJSA-N	217.272	1.785	50	40	BDGB	
O=C1C[C@@H]2[C@H](Br)C[C@H]1[C@H]2C(=O)O	3860548	BXXPKNCQABBGDK-WYWMIBKRSA-N	233.061	1.060	50	40	BDGB	
CC(C)CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1C	68414753	LPGCERCAUQQOPA-DTWKUNHWSA-N	243.376	1.184	50	40	BDGB	
CCOC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	31687257	CQWPMNIIIQFFKB-XFFZJAGNSA-N	237.215	1.675	50	40	BDGB	
COC(=O)[C@H]1C[C@H]2C[C@H]1C(=O)[C@@H]2Br	242718354	XKWLNOVDLCIPOC-MVIOUDGNSA-N	247.088	1.148	50	40	BDGB	
CC(C)[C@H](/C=N/NC(N)=O)CC[C@@H](C)C(=O)O	4266515	NDWFETOVNYWBHY-XUSBUWGGSA-N	243.307	1.414	50	40	BDGB	
Nc1nonc1NC(=O)NN=C1CCCCC1	341527	YKGSHRSKBPJCBD-UHFFFAOYSA-N	238.251	1.093	50	40	BDGB	
COc1ccc([C@@H]2CCC(=O)OC2=O)cc1	104666751	UXONYQINZXPBJK-JTQLQIEISA-N	220.224	1.642	50	40	BDGB	
CCCCOc1ccc(/C=N/NC=O)cc1	3225259	QJOREBJFYYGLGD-UKTHLTGXSA-N	220.272	1.945	50	40	BDGB	
Cc1ccc(C(=O)NN=C2CCC2)c(O)c1	84146134	NVVCRLNBWKTYAG-UHFFFAOYSA-N	218.256	1.970	50	40	BDGB	
CN(C)C1CCC(NC(=O)CCl)CC1	79406427	WHAIWCKWYINKRO-UHFFFAOYSA-N	218.728	1.214	50	40	BDGB	
CN(CCCl)C[C@H]1COc2ccccc2O1	95849869	ZZRAYPNEPKFMPT-JTQLQIEISA-N	241.718	1.997	50	40	BDGB	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)C1CC1	102222684	BBCVYZXZPOOMLI-INTQDDNPSA-N	236.315	1.370	50	40	BDGB	
CN(C[C@H]1CCCCN1C)C(=O)CCl	79406467	PMNKLPLJMKKDAF-SECBINFHSA-N	218.728	1.168	50	40	BDGB	
C#Cc1ccc(C#CC#C[C@H](O)CCl)s1	13386136	FGVSQYJMADNDRE-JTQLQIEISA-N	234.707	1.684	50	40	BDGB	
CC(=O)NNC(=O)c1ccc2ccccc2c1O	1603235	VJTGSXLJBNPFFK-UHFFFAOYSA-N	244.250	1.326	50	40	BDGB	
C[C@@]12C(=O)OC(=O)[C@@]1(C)[C@H]1C=C[C@@H]2CC1	104125500	UHRNOXDFVDHLIG-IWXIMVSXSA-N	206.241	1.678	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	104120478	QFGGWQCIRBTVNP-ULBNLAEVSA-N	207.277	1.467	50	40	BDGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)C1CC1	108578848	UIPNVDQIFDBWAD-WYPAEMBESA-N	206.289	1.935	50	40	BDGB	
CC[C@@H]1CC/C(=N\NC(=O)Cc2cc(C)n[nH]2)C1	95956121	UQGADJWTDGLJFO-YMQUWAGYSA-N	248.330	1.943	50	40	BDGB	
COC(=O)c1cc(CBr)on1	39626163	ARDHGTWSZBQZMX-UHFFFAOYSA-N	220.022	1.356	50	40	BDGB	in-vitro
COc1ccc([C@@H]2NC(=O)NC(C)=C2C#N)cc1	98086439	ZKLARJWZGZQVQM-LBPRGKRZSA-N	243.266	1.847	50	40	BDGB	
CCO/C(C)=N\NC(=O)c1ccccc1	100911102	WWNPSYIBHQQMKU-XFXZXTDPSA-N	206.245	1.786	50	40	BDGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CC1	511043	QRHIZAITCYPKCJ-KPKJPENVSA-N	233.227	1.455	50	40	BDGB	
N#CC(C#N)=C1C=C(Cl)N=C(Cl)N1	100776442	IMTDGHTZNLEVEU-UHFFFAOYSA-N	213.027	1.566	50	40	BDGB	
COCCOC(=O)/C(C#N)=C/Nc1ccccn1	101669596	ASPHMWXBKZEBPL-MDZDMXLPSA-N	247.254	1.091	50	40	BDGB	
C[C@@H]1Sc2nc(O)sc2C=C1C=O	32597924	BLZIKNPBRRKUMQ-BYPYZUCNSA-N	213.283	1.925	50	40	BDGB	
CC(/C=C\c1ccc([N+](=O)[O-])o1)=N\NC(N)=O	17313381	CINUUHOYDXCJFA-PSRYSYJVSA-N	238.203	1.245	50	40	BDGB	
CN1[C@H]2CC[C@H]1CC(OC(=O)CCl)C2	100001808	VWTGJYAUYFEGMB-YUMQZZPRSA-N	217.696	1.394	50	40	BDGB	
CCCCC(=O)NNC(=O)c1ccccc1O	11638503	ZHLRNWUOPQEEAD-UHFFFAOYSA-N	236.271	1.343	50	40	BDGB	
N=C(NNC(=O)c1ccccc1)c1cccnc1	8022998	UXYYVVPMNAAVFY-UHFFFAOYSA-N	240.266	1.342	50	40	BDGB	
C[C@H](Br)C(=O)N1CCCCC1	39376054	CTDHDLROJGGHCN-ZETCQYMHSA-N	220.110	1.782	50	40	BDGB	
CON=C(C(=O)OC)c1ccccc1CCl	299888359	GMZGDMPLWXWBQJ-UHFFFAOYSA-N	241.674	1.949	50	40	BDGB	
CCOc1cccc(/C=N/NC(C)=O)c1O	5673782	GSOMFVYKIFQNJF-KPKJPENVSA-N	222.244	1.261	50	40	BDGB	
C/C(=N\NC(=O)c1ccco1)c1cccnc1	13571506	RHGWLXYGNFWRFV-NTEUORMPSA-N	229.239	1.829	50	40	BDGB	
CC[C@@H](C)c1ccccc1OCC(=O)NN	572029	IWDLDEIDGXECMW-SECBINFHSA-N	222.288	1.569	50	40	BDGB	in-vitro
Cc1cc(C)cc(C(=O)NNC(=O)CCl)c1	1888987366	ASNKETZQJFTRHP-UHFFFAOYSA-N	240.690	1.303	50	40	BDGB	
O=C(Nc1ccccn1)OCCCl	13284374	WMESJEYBMASBBG-UHFFFAOYSA-N	200.625	1.869	50	40	BDGB	
C=CCNC(=O)CC(=O)N/N=C(\C)CCCC	5297141	SSEPHBPWBLLHAM-GXDHUFHOSA-N	239.319	1.361	50	40	BDGB	
CC/C(C)=N/NC(=O)Cn1cnc2ccccc21	7993290	XUCOODAYFDSBPM-XNTDXEJSSA-N	244.298	1.938	50	40	BDGB	
O=NN(CCCl)C(=O)N[C@H]1CCC[C@H](O)C1	6158175	RLVBEHFQVMKVOD-YUMQZZPRSA-N	249.698	1.222	50	40	BDGB	
N#Cc1ccc([C@H](O)CBr)cc1	39395488	INHNSIVIOWOLQP-SECBINFHSA-N	226.073	1.987	50	40	BDGB	in-vitro
Cn1cc(/C=N\C(C#N)=C(\N)C#N)c2ccccc21	100004434	JRZZCPQKEGMRLI-UFWNUTQMSA-N	249.277	1.815	50	40	BDGB	
Cc1ccsc1C[C@H]1NC(=O)OC1=O	1772715069	YIFLZLYQRCQQEI-ZCFIWIBFSA-N	211.242	1.234	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1	1578153	ZZKGGAYDHNIOPZ-XFFZJAGNSA-N	244.250	1.725	50	40	BDGB	
CCC(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	102585052	VPLCFEDHFNEKQI-XHNCKOQMSA-N	241.360	1.080	50	40	BDGB	
COC(=O)c1cnn2c1N=C(CCl)CC2=O	12417890	RBONPUOKAWZDGV-UHFFFAOYSA-N	241.634	1.025	50	40	BDGB	
COc1ccc([C@H]2CCC(=O)OC2=O)cc1	104666754	UXONYQINZXPBJK-SNVBAGLBSA-N	220.224	1.642	50	40	BDGB	
CCC(CC)=NNC(=O)C(=O)N1CCCCC1	58885687	FKPGQBOWVJSYFL-UHFFFAOYSA-N	239.319	1.291	50	40	BDGB	
COC(=O)NNC(=O)Nc1c(C)cccc1C	48474047	IODUYDHEQNOZNB-UHFFFAOYSA-N	237.259	1.696	50	40	BDGB	
COC(=O)NNC(=O)Nc1cccnc1Cl	49206350	FSVKPGXRABWLBX-UHFFFAOYSA-N	244.638	1.128	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccccc1	96517786	AIXKRDUDBZZHKM-SNVBAGLBSA-N	246.715	1.869	50	40	BDGB	
CCOC(=O)O[C@H](C)I	21992489	BDHXJIRTSWHBPR-SCSAIBSYSA-N	244.028	1.941	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1cccs1	59333472	VYBPFXPZVQLBPI-VURMDHGXSA-N	206.270	1.743	50	40	BDGB	
O=S1(=O)[C@H]2CC=C[C@H]1CC[C@@H]2Cl	104145530	ZEAOMAZLLAHTAP-FXQIFTODSA-N	206.694	1.500	50	40	BDGB	
O=C(CCl)NC[C@H](O)c1ccccc1	40438518	VJUZVICWVRCGDU-VIFPVBQESA-N	213.664	1.075	50	40	BDGB	
CCCCN1C[C@H](Br)C(=O)NC1=O	4722303	ZFJCGVGFWCJVBW-LURJTMIESA-N	249.108	1.102	50	40	BDGB	
COc1cc(SC#N)cc(C(=O)O)c1O	57339840	UEZSQZJUDVCVDL-UHFFFAOYSA-N	225.225	1.672	50	40	BDGB	
CCCOc1ccccc1C(=O)NNC(C)=O	14026194	WGDXEMMVYQROCZ-UHFFFAOYSA-N	236.271	1.256	50	40	BDGB	
C[C@H](Cl)C(=O)NC(=O)NCc1ccccc1	8390461	JDNLQIGJSNXTAW-QMMMGPOBSA-N	240.690	1.640	50	40	BDGB	
CCO/C(C)=N\NC(=O)c1n[nH]c2ccccc12	104222034	MYDWIAFLLFTNMV-JYRVWZFOSA-N	246.270	1.663	50	40	BDGB	
CC1(C)CC(=O)[C@@H](N=C=O)[C@](C)(N=C=O)C1	59214395	KGGLJOZZTDIYAE-MWLCHTKSSA-N	222.244	1.174	50	40	BDGB	
O=C1N[C@@H](Cc2ccc(F)cc2)C(=O)O1	118043633	FUXSSMSAWSOUSN-QMMMGPOBSA-N	209.176	1.003	50	40	BDGB	
C[C@H](c1ccccc1)n1ccc(C(=O)NN)c1	223722534	FCIZIIDUCZYWGK-SNVBAGLBSA-N	229.283	1.701	50	40	BDGB	
CC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	1688408	XSZOEPIFJJLSHB-XBXARRHUSA-N	213.218	1.126	50	40	BDGB	
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(N)=O)C2	252498098	QCEFOIDJHJPYIB-WRWORJQWSA-N	209.293	1.857	50	40	BDGB	
CC(C)(C)N(CCC#N)C(=O)CCl	3661678	HGLCYLPLQAMKCX-UHFFFAOYSA-N	202.685	1.766	50	40	BDGB	
CCOc1cc(OCC)c2c(c1)C(=O)OC2=O	100344727	LSLAWZWDIMPMDT-UHFFFAOYSA-N	236.223	1.795	50	40	BDGB	
CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccccc1	96518908	UGIJGOSTAMHYHN-ZJUUUORDSA-N	248.731	1.720	50	40	BDGB	
COc1ccc(OC)c([C@@H]2NC(=O)OC2=O)c1	1772715055	WRZZTZUFMSEOHY-VIFPVBQESA-N	237.211	1.011	50	40	BDGB	
COc1cccc2cc(C(=O)NN)oc12	32579333	HOHLMFUIKBTBSO-UHFFFAOYSA-N	206.201	1.045	50	40	BDGB	in-vitro
CC(=O)Oc1ccc(/C=N/N(C)C(C)=O)cc1	1708003	JGTLKZVUYUPEOI-MDWZMJQESA-N	234.255	1.424	50	40	BDGB	
N#C[C@]1(O)CCCN(Cc2ccccc2)C1	59261519	ZGGPVFSWIRIZNF-CYBMUJFWSA-N	216.284	1.537	50	40	BDGB	in-vitro
Cc1ccc(N2C[C@H](N=C=O)CC2=O)cc1C	19732480	NJCMBVVLWSFYAR-LLVKDONJSA-N	230.267	1.745	50	40	BDGB	
CC(C)N(C)C[C@H]1CCCN1C(=O)CCl	79419130	GIYDNXNOTQJZFH-SNVBAGLBSA-N	232.755	1.556	50	40	BDGB	
CCCCNC(C)(C)CSS(=O)(=O)O	31723462	VTHMCRWLUHUIRO-UHFFFAOYSA-N	241.378	1.691	50	40	BDGB	
C=CCOc1ccc(/C=N/NC(C)=O)cc1OC	4117833	QHDILGOJUJSXPJ-NTEUORMPSA-N	248.282	1.730	50	40	BDGB	
C=CCOC[C@@H](CCl)OC[C@H]1CO1	5377393	GMSLBWASKZPQBY-BDAKNGLRSA-N	206.669	1.212	50	40	BDGB	
CC(=O)OCOC(CCl)CCl	100043041	HCPWSZPHLYSAAF-UHFFFAOYSA-N	201.049	1.370	50	40	BDGB	
O=C(NC[C@H](O)CCl)c1ccccc1	2042467	ICNSYMQNURRLGB-SECBINFHSA-N	213.664	1.016	50	40	BDGB	
C[N+](C)(C)CC(=O)N/N=C\CCc1ccccc1	4744304	GLJFHZOBHRBQHD-PTNGSMBKSA-O	248.350	1.427	50	40	BDGB	
BrCc1cnn2c1OCCC2	217689228	PYZYZHLHIIIIEH-UHFFFAOYSA-N	217.066	1.561	50	40	BDGB	
CO[C@H]1O[C@@H](CCl)[C@@H](Cl)[C@@H](Cl)[C@@H]1O	5063268	KZFOYKYGKRJACD-XUVCUMPTSA-N	249.521	1.172	50	40	BDGB	
COC(=O)N/N=C/c1ccccc1OC(C)=O	6293956	HMKYGEQXTUCOOP-KPKJPENVSA-N	236.227	1.302	50	40	BDGB	
O=NN(CCF)C(=O)NC1CCCCC1	4900957	SIJUHDYJDHLNLY-UHFFFAOYSA-N	217.244	1.982	50	40	BDGB	
O=C1NC(=O)[C@H](Cl)[C@H]1c1ccccc1	100552016	BIWSBXBZNXQEDE-HTQZYQBOSA-N	209.632	1.034	50	40	BDGB	
C/C(=N\NC(=O)[C@H]1CCCO1)c1ccc(O)cc1	43973955	FKLVGKAMASIULZ-ZMTLZGASSA-N	248.282	1.411	50	40	BDGB	
COc1ccccc1C(=O)NNC(=O)C(C)C	289998	JCHRJEMAMWFCIG-UHFFFAOYSA-N	236.271	1.112	50	40	BDGB	
CC(C)C(=O)N/N=C/c1ccc(N(C)C)cc1	18194420	NPHKUNYAXYSQER-NTEUORMPSA-N	233.315	1.859	50	40	BDGB	
C=CCNC(=O)C(=O)NN=C1CCCCCC1	4525739	XJPKMKRCURCQEB-UHFFFAOYSA-N	237.303	1.115	50	40	BDGB	
N=C(NNC(=O)c1ccccc1)c1ccccn1	8048388	GEMCUVASSWJRTC-UHFFFAOYSA-N	240.266	1.342	50	40	BDGB	
COC1[C@@H](OC)CC(C(=O)Cl)C[C@@H]1OC	3847329	CTUAUKULOYQIOE-QXNPHUFVSA-N	236.695	1.207	50	40	BDGB	biogenic
O=C(Cl)[C@H]1CC(=O)N(C2CCCC2)C1	33433379	HFIGBCPDEZIGSR-ZETCQYMHSA-N	215.680	1.543	50	40	BDGB	
O=C(CCl)OCC[C@@H]1CCCNC1	42768590	IOEWZXQZGPLYCI-QMMMGPOBSA-N	205.685	1.158	50	40	BDGB	
Nc1ccccc1C(=O)CBr	39244519	NDQYPOVFIKEBJM-UHFFFAOYSA-N	214.062	1.846	50	40	BDGB	
C/C(=N\NC(N)=O)c1cnc2ccccc2n1	16137012	IQAWYDSYSRPAMX-VIZOYTHASA-N	229.243	1.022	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1ccc(O)c(O)c1	6939895	RAHIHNWEZPLHGV-UITAMQMPSA-N	233.223	1.568	50	40	BDGB	
COc1ccc(C2=CC(=O)OC2=O)cc1	100026103	SFKJHFOLVWLLBD-UHFFFAOYSA-N	204.181	1.162	50	40	BDGB	
NNC(=O)c1cccc(COCC(F)(F)F)c1	2568636	QHDRFPINXPASDJ-UHFFFAOYSA-N	248.204	1.369	50	40	BDGB	
CC(C)(/C=N/NC(=O)CC#N)CCC#N	20248748	LTPQFQBYJMYHJT-MDWZMJQESA-N	206.249	1.332	50	40	BDGB	
O=C(CC1CCCC1)NNC(=O)c1ccco1	8355183	YXJYLLJDAOOQLA-UHFFFAOYSA-N	236.271	1.621	50	40	BDGB	
CO[C@H]1COCC[C@H]1CBr	307220227	OREIHDVPJUHSPX-BQBZGAKWSA-N	209.083	1.433	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1CC(C)C	223697150	SXPUTINKMADGLV-UHFFFAOYSA-N	209.293	1.364	50	40	BDGB	
Cc1cc(C)c(C[C@@H]2NC(=O)OC2=O)c(C)c1	1772714887	BPPKSZCPRPQZLM-NSHDSACASA-N	233.267	1.789	50	40	BDGB	
N#CSCC1=CS(=O)(=O)C[C@@H]1SC#N	100839337	OPYTWPPPTVQFCK-ZETCQYMHSA-N	246.338	1.096	50	40	BDGB	
CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@H]1Cl	101296708	QFGSVRMOEYSJPL-QMMMGPOBSA-N	238.678	1.423	50	40	BDGB	
CC(C)c1ccc(C(=O)NNC(=O)C2CC2)cc1	15794288	MKBCWCKUVQSVJL-UHFFFAOYSA-N	246.310	1.981	50	40	BDGB	
CCn1cc(/C=N/NC(N)=O)c2ccccc21	60512831	HBQYYDWZZJTAAC-VGOFMYFVSA-N	230.271	1.663	50	40	BDGB	
CCCCNC(=O)CCBr	41716902	IHSCHVKFEFNUSG-UHFFFAOYSA-N	208.099	1.688	50	40	BDGB	
COC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C	195968154	OIHAQZUILYXJTJ-QMMMGPOBSA-N	233.384	1.509	50	40	BDGB	
CC(=O)NNC(=S)OC1CCCCC1	5431258	WGWXYBMXQKDPAI-UHFFFAOYSA-N	216.306	1.261	50	40	BDGB	
CC(C)[C@@]12C/C(=N\NC(N)=O)[C@@H](C)[C@@H]1C2	4701389	MDSNCYHYNIDZGB-IYOSHVOVSA-N	209.293	1.713	50	40	BDGB	
O=C1O[C@H]2[C@@H]3C[C@H](C[C@H]13)[C@H]2Br	100494807	ZFCNOHNDCYYXIK-ZFYZTMLRSA-N	217.062	1.331	50	40	BDGB	
C#CCOc1ccc(/C=N/NC(C)=O)cc1OC	409013716	NQAQSVXSEITSHN-NTEUORMPSA-N	246.266	1.177	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1	45952400	SVPQSGFQKDAFJI-SSDOTTSWSA-N	241.649	1.944	50	40	BDGB	
C[C@H]1Cc2cc(CNC(=O)CCl)ccc2O1	96295203	PCYDXVKHGZLPOK-QMMMGPOBSA-N	239.702	1.865	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1cccs1	5479967	HJAWKOATZXCLHI-YRNVUSSQSA-N	207.258	1.502	50	40	BDGB	
O=C1[C@@H](Br)[C@@H]2CC[C@H]1[C@H]2C(=O)O	1664372	DAWDCUWVWJLJCU-VANKVMQKSA-N	233.061	1.060	50	40	BDGB	
O=C1C[C@H](Cl)C(=O)N1c1ccc(F)cc1	1806652	XOILYCNQNGCSSV-QMMMGPOBSA-N	227.622	1.696	50	40	BDGB	
COCCNC(=O)/C(C#N)=C\c1cccc(O)c1	6497791	XFJQXXVUHXGNEX-XFFZJAGNSA-N	246.266	1.062	50	40	BDGB	
CN(C)C[C@@H]1CCCCN1C(=O)CCl	79419102	CFRMTAOCMMXLNU-VIFPVBQESA-N	218.728	1.168	50	40	BDGB	
C[C@@H]1C=C[C@H]([C@H]2CC(=O)OC2=O)C12CC2	245241253	ZNKNMJIBQGFVDL-IWSPIJDZSA-N	206.241	1.678	50	40	BDGB	
O=C(CBr)c1c(O)cccc1O	2511019	NDRBKOJQTCWMGZ-UHFFFAOYSA-N	231.045	1.675	50	40	BDGB	
O=C(N/N=C/c1cccc(O)c1)c1ccncc1	879	WJVBIMBJLVWPNE-OQLLNIDSSA-N	241.250	1.551	50	40	BDGB	in-vitro
O=C(Cl)Cc1ccc2c(c1)OCCO2	4975337	UYLGKTHYKDXIHC-UHFFFAOYSA-N	212.632	1.766	50	40	BDGB	in-vitro
N#C/C(=C\c1cccc(O)c1)C(=O)N1CCCC1	23217632	LQYKSKNFGVOQHO-XYOKQWHBSA-N	242.278	1.922	50	40	BDGB	
CC(=O)Nc1ccc(/C=C(/C#N)C(N)=S)cc1	52411	ZPJQOEDGLVPGEC-POHAHGRESA-N	245.307	1.838	50	40	BDGB	
COc1ccc(C(=O)CBr)cn1	116458809	CMOXUHAYWKQNPC-UHFFFAOYSA-N	230.061	1.668	50	40	BDGB	in-vitro
C/C(CCc1ccc2c(c1)OCO2)=N\NC(N)=O	4979740	UDIYKTCCRUHAPZ-RIYZIHGNSA-N	249.270	1.392	50	40	BDGB	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)N1CCCC1	96256125	ZPRIYCBEDICGDI-YRNVUSSQSA-N	244.298	1.556	50	40	BDGB	
N[C@H](CBr)Cc1ccccc1	21297932	UFCHHNJHLWIUGS-VIFPVBQESA-N	214.106	1.951	50	40	BDGB	
C/C(=N\NC(=O)c1ccccn1)c1cccnc1	16137140	UWRYISJANYVODR-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
CCOc1cc(/C=N/NC(=O)C2CC2)ccc1O	511039	DTWSNZFHKVMPHO-RIYZIHGNSA-N	248.282	1.651	50	40	BDGB	
O=C(O)[C@H]1C[C@H](Cl)[C@H](Cl)C[C@H]1C(=O)O	4792245	BNJOWVKINLETCR-FBXFSONDSA-N	241.070	1.397	50	40	BDGB	
CC(C)[C@@H](NC(=O)C(Cl)Cl)C(=O)O	6358759	NOZWXCQXMLWKTN-SCSAIBSYSA-N	228.075	1.016	50	40	BDGB	
COc1cccc(N/C=C(/C#N)C(N)=S)c1	2282016	RNHULMBMCCINTL-FPLPWBNLSA-N	233.296	1.801	50	40	BDGB	
CCC/C=N/NC(=O)c1ccccc1O	4117861	ODIIHAZSCZIKRW-XYOKQWHBSA-N	206.245	1.908	50	40	BDGB	
CN(C[C@H]1CCCCN1C(=O)CCl)C1CC1	79419227	WYUHJRXNZSOSAQ-LLVKDONJSA-N	244.766	1.701	50	40	BDGB	
CC1(C)OB([C@@H](N)CCCCl)OC1(C)C	195919716	RIYRGFBBSRZMDH-QMMMGPOBSA-N	233.548	1.964	50	40	BDGB	
O=C(O)N/N=C/c1cc(Cl)ccc1O	1679381	AETZGWXZIWSDGT-ONNFQVAWSA-N	214.608	1.647	50	40	BDGB	
CCn1nc(C)c2c(CCl)cc(=O)[nH]c21	2732682	XOMNGSDKABKALP-UHFFFAOYSA-N	225.679	1.792	50	40	BDGB	
CCOC(=O)/C(C#N)=C/NCCc1ccccc1	100683900	NXJUUIADNARGAC-ACCUITESSA-N	244.294	1.789	50	40	BDGB	
COc1cc(B(O)O)ccc1Oc1ccccc1	218103092	HFMYVGCFUMMICB-UHFFFAOYSA-N	244.055	1.167	50	40	BDGB	
O=C1N[C@@H](c2ccc(Cl)cc2)C(=O)O1	238519322	WHURWVDQBCHDLO-ZETCQYMHSA-N	211.604	1.648	50	40	BDGB	
Cc1cccc([C@H](O)[C@H](Cl)S(C)(=O)=O)c1	96518888	HUVAKZASXOADTD-VHSXEESVSA-N	248.731	1.638	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccccn1	227986	SEAQZXSJRUUEAF-NTEUORMPSA-N	228.255	1.184	50	40	BDGB	
CCOc1ccc(/C=N/NC=O)cc1OCC	1710920	LHXZODOHVGDVLN-MDWZMJQESA-N	236.271	1.564	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1ccc2c(c1)OCO2	100429665	ZYSQXVMPLJKAOJ-FSNCIFOCSA-N	240.222	1.052	50	40	BDGB	
C[C@H](Cl)c1c([C@@H](C)Cl)no[n+]1[O-]	55138	NXLKVKNSIJLHTJ-DMTCNVIQSA-N	211.048	1.908	50	40	BDGB	
N#CC1=C(C#N)S[C@H](C#N)[C@@H](C#N)S1	392539	AHBYHWIAJDQTAB-PHDIDXHHSA-N	218.266	1.510	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C/c1ccccc1OC	2634537	JWXQPUSWBGRWMP-FMIVXFBMSA-N	242.278	1.904	50	40	BDGB	
CCCCCC1=CCC/C1=N\NC(=O)C(N)=O	6675367	QZCPRNQMRLWYAC-GXDHUFHOSA-N	237.303	1.244	50	40	BDGB	
COC(=O)C12CC1(CBr)C2	197450614	DONFDJSJHWVGMK-UHFFFAOYSA-N	205.051	1.335	50	40	BDGB	
NNC(=O)[C@@H](S)Cc1ccccc1Cl	12274181	GXCSOTDNCKIIBZ-QMMMGPOBSA-N	230.720	1.171	50	40	BDGB	
N#CC1=C(C#N)S[C@@H](C#N)[C@H](C#N)S1	392540	AHBYHWIAJDQTAB-WDSKDSINSA-N	218.266	1.510	50	40	BDGB	
NNC(=O)c1ccc(F)cc1Br	22161267	HIUHLJRBJBYPGV-UHFFFAOYSA-N	233.040	1.192	50	40	BDGB	
N[C@@H](C(=O)O)c1ccc(CBr)cc1	1567266	JYOLFOPMVNJWKP-MRVPVSSYSA-N	244.088	1.666	50	40	BDGB	
COCc1nn2c(=O)cc(CCl)nc2s1	49538536	GXMUNEUDJQXBTH-UHFFFAOYSA-N	245.691	1.036	50	40	BDGB	
O=C(N/N=C/c1ccccn1)c1cccs1	4855012	OVTBJOBSMVRHJS-MDWZMJQESA-N	231.280	1.907	50	40	BDGB	
CCCc1ccc(C(=O)NN)n1CC(C)C	226025793	MUEXOTAIBZUOAR-UHFFFAOYSA-N	223.320	1.700	50	40	BDGB	
CCC(O)(CC)C(=O)NNc1ccc(C)cc1	501269	LZDXGLQZGQQTMB-UHFFFAOYSA-N	236.315	1.989	50	40	BDGB	
CC(=O)Oc1ccc(/C=N\N(C)C(C)=O)cc1	31658546	JGTLKZVUYUPEOI-JYRVWZFOSA-N	234.255	1.424	50	40	BDGB	
COc1ccc2c(c1)[C@H](CC(=O)NN)CCC2	5640419	COFHBMQTULHTRL-JTQLQIEISA-N	234.299	1.495	50	40	BDGB	
COC(=O)c1ccccc1OC(=O)CCl	1586542	BOMYQMNIRPEDGO-UHFFFAOYSA-N	228.631	1.617	50	40	BDGB	
Cc1ccc(/C(N)=N\OC(=O)CCl)cc1F	4280865	QYYOBJZMCCIIKD-UHFFFAOYSA-N	244.653	1.536	50	40	BDGB	
S=C(Cl)N1CCN(C(=S)Cl)CC1	1571884	NFHROHBJWBNAJG-UHFFFAOYSA-N	243.184	1.651	50	40	BDGB	
[C-]#[N+][C@H](Cc1ccccc1)C(=O)N1CCOCC1	104900047	VCZSDTPKBNTJQJ-CYBMUJFWSA-N	244.294	1.376	50	40	BDGB	
CCC/C=N/NC(=O)[C@H]1COc2ccccc2O1	5455245	SSRDVEFVKBLXQR-ZBQKXELDSA-N	248.282	1.729	50	40	BDGB	
O=C(Cl)c1cc(Br)cnc1O	98213501	OLLOTZCDKDAZDZ-UHFFFAOYSA-N	236.452	1.929	50	40	BDGB	
Cc1cc(C(=O)NNCc2ccccc2)[nH]n1	5401767	KCVAWDIFEDTYFQ-UHFFFAOYSA-N	230.271	1.153	50	40	BDGB	
O=C1N[C@H](Cc2ccccc2Cl)C(=O)O1	1772714721	MKZJVVLYSKWFAK-MRVPVSSYSA-N	225.631	1.518	50	40	BDGB	
NC1CCC(I)CC1	79436980	GTMTYOCIGNBPSO-UHFFFAOYSA-N	225.073	1.691	50	40	BDGB	
O=C1OC(=O)[C@@H]2Cc3ccccc3C[C@@H]12	104254986	DRWNBWIQWWUIQM-NXEZZACHSA-N	202.209	1.101	50	40	BDGB	
CCOC(=O)NNC(=O)C[C@H]1C=CCC1	36656025	JYYBLQJJDROROX-QMMMGPOBSA-N	212.249	1.120	50	40	BDGB	
COc1nccnc1CBr	72194549	VRYFXCOFDMIUAF-UHFFFAOYSA-N	203.039	1.380	50	40	BDGB	
CC1=C/C(=N\NC(N)=O)c2ccccc2C1=O	17780501	AAZZXNUFSZLZGL-GXDHUFHOSA-N	229.239	1.202	50	40	BDGB	
CC(C)C[C@@H](N)C(=O)NNc1ccccc1	5962823	XVHGQSQBADOYOH-LLVKDONJSA-N	221.304	1.503	50	40	BDGB	
NC(=O)N/N=C/c1cccc(Cl)c1Cl	5567436	XOLCGPKZECXCFG-UUILKARUSA-N	232.070	1.996	50	40	BDGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(N)=S	121484	RHTVPWVESMJUOP-FPYGCLRLSA-N	232.264	1.608	50	40	BDGB	
N#CS[C@H]1CS(=O)(=O)C=C1Cl	4575220	SRIUCLVPWUBZHR-YFKPBYRVSA-N	209.679	1.078	50	40	BDGB	
NNC(=O)c1cc2cc(Cl)ccc2o1	4700891	WWBORYCPYRIYDX-UHFFFAOYSA-N	210.620	1.690	50	40	BDGB	
O=[N+]([O-])c1cnccc1CBr	95836321	LXNNXIMJLFYEDE-UHFFFAOYSA-N	217.022	1.885	50	40	BDGB	
CNC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1	3009085	WJLKTEWVHLUDMM-OVCLIPMQSA-N	247.298	1.006	50	40	BDGB	
CN1C2=C(C#N)C(=O)CN2c2ccccc21	131055	ALFWZCSCOIZECZ-UHFFFAOYSA-N	211.224	1.261	50	40	BDGB	
Cc1cc(C(=O)N/N=C/c2ccc(C)o2)[nH]n1	5687244	CYYMKASWCFZRKN-WUXMJOGZSA-N	232.243	1.383	50	40	BDGB	
Cc1nc(N2CCCC2)ncc1C(=O)Cl	62700652	SCMRKRMKILEYAB-UHFFFAOYSA-N	225.679	1.764	50	40	BDGB	
Cn1cccc1CC(=O)N/N=C\c1ccncc1	32576886	SKYVIHJKZUBIIV-GDNBJRDFSA-N	242.282	1.113	50	40	BDGB	
COc1ccc(C(=O)NNC(=O)C(C)C)cc1	290001	CXAVIQMBQVQJDV-UHFFFAOYSA-N	236.271	1.112	50	40	BDGB	
O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1ccccn1	5949383	JOMMGSHZFUTLSY-ULVWRBEMSA-N	229.283	1.987	50	40	BDGB	
N#CC1=C[C@@H]2CC[C@H]1C(C#N)(C#N)C2(C#N)C#N	4721933	DZBBCDCSMLPFOW-WDEREUQCSA-N	233.234	1.543	50	40	BDGB	
O=C1N[C@@]2(CCCc3ccccc32)C(=O)O1	105641630	YGVGKRQWORJXSH-GFCCVEGCSA-N	217.224	1.485	50	40	BDGB	
CC(C)CCOc1ccc(C(=O)NN)cc1	3258230	UIKGYHIJLDOVFP-UHFFFAOYSA-N	222.288	1.715	50	40	BDGB	in-vitro
NC(=O)N/N=C1/C[C@@H]2CC[C@H]1[C@@H]2Cl	104100282	MPUNFINCFBUCGI-FJXALCFSSA-N	201.657	1.048	50	40	BDGB	
O[C@H](CCl)COCc1ccccc1	5603337	FJXVYZMGZACQOS-SNVBAGLBSA-N	200.665	1.803	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1	16973313	QQHDPEGTZJVUOE-MDWZMJQESA-N	247.254	1.845	50	40	BDGB	
Oc1cc(C(F)(F)F)nc(CCl)n1	83255043	NWBRQKOURFWXPA-UHFFFAOYSA-N	212.558	1.940	50	40	BDGB	in-vitro
N#C/C(=C/c1cc2cc(F)ccc2o1)C(N)=O	98013715	OTIQCZUBFDEQMS-YVMONPNESA-N	230.198	1.964	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1	4697259	STWDHFNLNIGHOF-ALCCZGGFSA-N	236.183	1.658	50	40	BDGB	
CN1[C@H]2CC[C@@H]1CC(OC(=O)CCl)C2	316562	VWTGJYAUYFEGMB-JVHMLUBASA-N	217.696	1.394	50	40	BDGB	
Cc1occc1C(=O)N/N=C/c1ccoc1	373158	NWVJTCZWKMQJJU-WUXMJOGZSA-N	218.212	1.945	50	40	BDGB	
COc1cccc(CNC(=O)[C@@H](C)Cl)c1	37389515	BUBSXOOGFLDARH-MRVPVSSYSA-N	227.691	1.939	50	40	BDGB	in-vitro
COc1cc(N/C=C(\C#N)C(N)=O)cc(OC)c1	12062390	VCNYSJNJKLMCBU-BQYQJAHWSA-N	247.254	1.008	50	40	BDGB	
Cc1cccc(OCC(=O)NNC(C)C)c1	35653696	YCTNROCFWITHEK-UHFFFAOYSA-N	222.288	1.403	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)NCc1cccs1	37467243	GVISFHAPAVZRFZ-ZCFIWIBFSA-N	246.719	1.701	50	40	BDGB	
Cc1cccc(/C=N/NC(=O)C(C)(C)C)n1	59484680	CAPROWBHHUUFHO-MDWZMJQESA-N	219.288	1.886	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc(F)cc1	4660671	CBZGEXCAQXBPFY-TWGQIWQCSA-N	205.188	1.906	50	40	BDGB	
N#C/C(=C/N)S(=O)(=O)c1ccc(Cl)cc1	100080875	BOTZBEHWOJJLSC-UITAMQMPSA-N	242.687	1.437	50	40	BDGB	
COCCCc1cc(=O)[nH]c(CCl)n1	96526146	NOHXPHLKUKLLCP-UHFFFAOYSA-N	216.668	1.088	50	40	BDGB	
NC(=O)N/N=C\c1ccc(N2CCCC2)cc1	32189244	KXPFOBQKDBUZSC-ZROIWOOFSA-N	232.287	1.289	50	40	BDGB	
Cc1cc(/C=N/NC(N)=O)cc(C)c1O	7894811	NZIJLIVHVXFWDZ-LFYBBSHMSA-N	207.233	1.011	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccccc1	268174	DZJKGHIDQIMCMH-NTEUORMPSA-N	213.240	1.779	50	40	BDGB	
Cc1ccnn1CC(=O)N/N=C/c1ccccc1	370368	ZPONMMYKYWSFFU-NTEUORMPSA-N	242.282	1.342	50	40	BDGB	
CC(=O)N/N=C/c1cc(Cl)ccc1O	1498218	MKKMIMNDJUCTTI-VZUCSPMQSA-N	212.636	1.516	50	40	BDGB	
N#CSCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	104328727	LTEHQEQTUALDQW-YUMQZZPRSA-N	222.269	1.109	50	40	BDGB	
Cc1cc(O[C@H](C)C(=O)NN)c2ccccc2n1	98087190	XNBCACCOZHMMOS-SECBINFHSA-N	245.282	1.300	50	40	BDGB	
C[C@H](Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1O	71671020	YINKPSXELJXPLH-YFKPBYRVSA-N	244.634	1.866	50	40	BDGB	
CN(C)c1ccc(/C=C(/C#N)C(N)=S)cc1	12341579	RYCMWLHJBKLTHR-YFHOEESVSA-N	231.324	1.946	50	40	BDGB	
COc1ccc(OC(C)=O)c(/C=C/C=O)c1	1704596	XPJKYWMUQGDKNE-ONEGZZNKSA-N	220.224	1.833	50	40	BDGB	
CCC[C@H]1C(C#N)=C(N)Oc2n[nH]c(COC)c21	550622	LZGURHTWSPFVKS-ZETCQYMHSA-N	248.286	1.526	50	40	BDGB	
Cc1cc(C)cc(NCCC(=O)NN)c1	58850772	DAPVMJLWOBAFJJ-UHFFFAOYSA-N	207.277	1.095	50	40	BDGB	
Cc1ccc(C(=O)NN)c(Br)c1	2580655	MVFGATLKHYMRLY-UHFFFAOYSA-N	229.077	1.361	50	40	BDGB	
CN1CCCC[C@@H]1CN(C(=O)CCl)C1CC1	79406733	LDWZPJDUQDRBIF-LLVKDONJSA-N	244.766	1.701	50	40	BDGB	
CC(C)C(=O)n1cc(C(=O)NN)c2ccccc21	216949293	YTPZPVOFXZFJCX-UHFFFAOYSA-N	245.282	1.541	50	40	BDGB	
Cc1ccc(C)c([C@@H]2NC(=O)OC2=O)c1	1772714749	QBDQUBPCOBTVAJ-VIFPVBQESA-N	205.213	1.611	50	40	BDGB	
NNC(=O)c1cnc2c(Cl)cccc2c1N	14988534	JSLCBPOTKUEMMW-UHFFFAOYSA-N	236.662	1.074	50	40	BDGB	
[N-]=[N+]=N/C=C/C(=O)OCCBr	5500805	AKIYUJWNPUDUAA-HNQUOIGGSA-N	220.026	1.749	50	40	BDGB	
C/C(CCc1ccco1)=N\NC(=O)CC#N	5214832	YDQIQTHUCBSLBD-UKTHLTGXSA-N	219.244	1.618	50	40	BDGB	
N#C/C(=C\c1cccs1)C(=O)Nn1cnnc1	242322	PYBLBKKIMYZEHN-XBXARRHUSA-N	245.267	1.017	50	40	BDGB	
Cc1cccc(C(=O)NNC(=O)[C@H](C)Cl)c1	12505431	ARPNEJQWSWQCJE-QMMMGPOBSA-N	240.690	1.383	50	40	BDGB	
C/C(=N/NC(=O)c1ccccn1)c1ccncc1	5024701	ZXTIPNIQHORKDA-YBEGLDIGSA-N	240.266	1.631	50	40	BDGB	
CN(C)c1ccc(-n2cccc2C(=O)NN)cc1	223741025	MQORPNFUFKICFJ-UHFFFAOYSA-N	244.298	1.147	50	40	BDGB	
COC(=O)c1c(N=C=S)cc(C)n1C	57352377	FDLQFLVZGMOOAM-UHFFFAOYSA-N	210.258	1.854	50	40	BDGB	
NNC(=O)/C=C/c1c(F)cccc1Cl	37388291	RQRMZMSHOOQGMS-SNAWJCMRSA-N	214.627	1.482	50	40	BDGB	
NNC(=O)c1cccn1Cc1ccccc1	223721936	OKTONQIVXJQHOP-UHFFFAOYSA-N	215.256	1.140	50	40	BDGB	
COC(=O)c1cccc([C@@H](Cl)C(=O)OC)c1	83255199	KTOABCRNHOSVKZ-SECBINFHSA-N	242.658	1.926	50	40	BDGB	in-vitro
CC/C(C)=N/NC(=O)COc1ccc(C#N)cc1	5164416	RWBQFEQWOQHFQF-XNTDXEJSSA-N	245.282	1.839	50	40	BDGB	
CCCCC/C(=N\NC(N)=O)C(OC)OC	17322703	PEJFPAXAXKOXFD-XYOKQWHBSA-N	231.296	1.210	50	40	BDGB	
O=CNNC(=O)Nc1ccc(Cl)cc1	1639199	UIKAWTVORRTDHA-UHFFFAOYSA-N	213.624	1.123	50	40	BDGB	
O=C(NN=C1CCCC1)C(=O)N1CCCCC1	58885690	RZKUJRYNDQTVDB-UHFFFAOYSA-N	237.303	1.045	50	40	BDGB	
CC(=O)NNC(=O)CSc1ccc(C)cc1	12602360	NPYPOBSQZVSWDG-UHFFFAOYSA-N	238.312	1.254	50	40	BDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Cl)OC2=O	100019032	PAXWODJTHKJQDZ-UWVGGRQHSA-N	216.664	1.874	50	40	BDGB	in-vitro
NNC(=O)CCSc1ccc(F)cc1	3887095	AOHUEWLERUBZRT-UHFFFAOYSA-N	214.265	1.298	50	40	BDGB	
O=C(CN(C(=O)CCl)C1CC1)c1ccco1	79436136	MOPOVTMVEBWYFL-UHFFFAOYSA-N	241.674	1.692	50	40	BDGB	
Nc1ccc(/C=N/NC(=O)c2ccncc2)cc1	2351547	AAEHLOISIGDVHC-CXUHLZMHSA-N	240.266	1.428	50	40	BDGB	
N#C/C(=C\c1cc(F)cc(F)c1)C(N)=O	12395133	SUNIVFAFPMZAPN-LREOWRDNSA-N	208.167	1.357	50	40	BDGB	
COc1ccc(CC/C(C)=N\NC(N)=O)cc1	357063	WSNNSOQKOOQSAF-ZROIWOOFSA-N	235.287	1.672	50	40	BDGB	
CC1(C)[C@@H]2C(=O)C(=O)[C@@]1(C)C[C@@H]2Br	101023039	NSQRXUZZUKISSB-JFWOZONXSA-N	245.116	1.954	50	40	BDGB	
Cc1ccc(OCNC(=O)NN(C)C)cc1	4264123	RMVOXNWCVIUQCT-UHFFFAOYSA-N	223.276	1.107	50	40	BDGB	
O=C(CN1CCCC1)N/N=C/c1cccs1	4525830	MMHPAXDXFRKPKZ-XYOKQWHBSA-N	237.328	1.294	50	40	BDGB	
CCCC(=O)NNC(=O)c1ccc(OC)cc1	5857901	ZEPJEGBWUJXXQA-UHFFFAOYSA-N	236.271	1.256	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccccc1F	223706769	RIZDMECWAJOPHT-UHFFFAOYSA-N	247.273	1.837	50	40	BDGB	
C[C@H]1Cc2ccccc2C(=C(C#N)C#N)N1	5534430	AWHXSRUOTIOLLO-VIFPVBQESA-N	209.252	1.979	50	40	BDGB	
O=C(N/N=C/C#Cc1ccccc1)c1ccncc1	1773186	OWGYAEOFFFFYHW-LICLKQGHSA-N	249.273	1.849	50	40	BDGB	
Cc1nonc1CI	64870368	XEMPKMXWRGHKGW-UHFFFAOYSA-N	224.001	1.313	50	40	BDGB	
CC1=C[C@]2(Nc3ccccc3O2)C(C#N)=C(N)O1	40546460	OWZQPRVPQVBAIC-CYBMUJFWSA-N	241.250	1.815	50	40	BDGB	
Cn1ncc2c1CC[C@@H](Br)C2	575425595	UAJDCIKRUFTAEL-SSDOTTSWSA-N	215.094	1.672	50	40	BDGB	
CCOc1ccc(C[C@H]2NC(=O)OC2=O)cc1	1772714944	HMFOFIWDTSXODN-SNVBAGLBSA-N	235.239	1.263	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1cccnc1	5128318	BMMBXBIFKMYOLF-POHAHGRESA-N	202.213	1.552	50	40	BDGB	in-vitro
COC(=O)/C(C#N)=C/c1ccc2c(c1)CCO2	48638361	PHATZNVNEIFCDK-YRNVUSSQSA-N	229.235	1.701	50	40	BDGB	
NC(=O)N/N=C1\C=C2CCCC[C@H]2CC1	8627952	UJTKFUKIJCHXPZ-JPPCOQANSA-N	207.277	1.921	50	40	BDGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(N)=O)C2	100482093	QCEFOIDJHJPYIB-ASMWMIGASA-N	209.293	1.857	50	40	BDGB	
CCC12C[C@@H]3C[C@@H](C1)CC(C(=O)NN)(C3)C2	100730944	DONLGDYVQBVZQI-WPMGSTCASA-N	222.332	1.973	50	40	BDGB	
Cc1ccccc1C(=O)[C@@H](Cl)S(C)(=O)=O	96517772	LCLUNFLDAIKEDC-JTQLQIEISA-N	246.715	1.787	50	40	BDGB	
N#C/C(=C\c1cccnc1)C(=O)N1CCCC1	253447793	QXVYEVNNURGXBT-XYOKQWHBSA-N	227.267	1.611	50	40	BDGB	
COc1cc(/C=C/C=O)cc(OC)c1OC	1563660	XDSHNNRBLSBDAP-SNAWJCMRSA-N	222.240	1.925	50	40	BDGB	biogenic,in-vitro
Nc1ccccc1C(=O)N/N=C/c1cccnc1	145378	XMJUQMHMQHYYSZ-CXUHLZMHSA-N	240.266	1.428	50	40	BDGB	
CC(C)CC[C@H](CC(C)(C)O)C(=O)NN	2267653	MHRWUCXLYVQXGV-SECBINFHSA-N	216.325	1.190	50	40	BDGB	
O=C(N/N=C/c1ccccc1)c1c[nH]cn1	5888110	DSWHWLHNHWBPJZ-MKMNVTDBSA-N	214.228	1.174	50	40	BDGB	
NNC(=O)c1ccc(-c2cccc(O)c2)cc1	199560419	PXYMRQBCPZWELZ-UHFFFAOYSA-N	228.251	1.663	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C\c1ccc(OC)cc1	26686846	YQEDALOAZHOAOB-XFXZXTDPSA-N	242.278	1.904	50	40	BDGB	
NNC(=O)c1cc(F)c(F)cc1Cl	6328485	XAKGFHQWGBIABM-UHFFFAOYSA-N	206.579	1.222	50	40	BDGB	in-vitro
COCCOc1cc(CCl)ccn1	40886375	HYLIEBKBCCVWFY-UHFFFAOYSA-N	201.653	1.846	50	40	BDGB	in-vitro
N#Cc1cccc(C(=O)NCCCl)c1	40972639	ZPNZABWFGFJHOS-UHFFFAOYSA-N	208.648	1.527	50	40	BDGB	
COC(C)(C)C[C@@H](C)OC(=O)CCl	1686280	FHJOHWXJSVRXMI-SSDOTTSWSA-N	208.685	1.972	50	40	BDGB	
CCOC(=O)C(=O)NNc1cccc(C)c1C	2302181	SHOIVQYGKLETDG-UHFFFAOYSA-N	236.271	1.310	50	40	BDGB	
CC(=O)NNc1nc2cc(Cl)ccc2[nH]1	71195471	DBLPCLCIWLYJTB-UHFFFAOYSA-N	224.651	1.679	50	40	BDGB	
CCS(=O)(=O)[C@H](Cl)[C@@H](O)C(C)(C)C	96518978	FDDFZUFTPPNSOT-RQJHMYQMSA-N	228.741	1.393	50	40	BDGB	
NC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	3091642	FCQCVAVSLQTYTN-PPRDQHCASA-N	234.215	1.262	50	40	BDGB	
COC(=O)c1occc1CBr	7978589	KBSMQYFLZWRZQK-UHFFFAOYSA-N	219.034	1.961	50	40	BDGB	in-vitro
N#C/C(N)=C(C#N)/N=C/c1ccsc1	100429710	KMFRZLSSGGGTSE-CTUCXJIYSA-N	202.242	1.384	50	40	BDGB	
CN(C[C@@H]1CCN(C(=O)CCl)C1)C1CC1	79419200	BMCQGISLFDBTFR-VIFPVBQESA-N	230.739	1.168	50	40	BDGB	
O=S(=O)(O)SCCN1CCCCC1	31343201	ZWEULOCIMMNCSC-UHFFFAOYSA-N	225.335	1.008	50	40	BDGB	
O=C(O)c1ccnc(CBr)c1	85345132	ZNPHQHYDHCCHRF-UHFFFAOYSA-N	216.034	1.675	50	40	BDGB	
COC(=O)c1cccc(C(=O)CCl)c1	88611566	KTEVLGYXZFFPAF-UHFFFAOYSA-N	212.632	1.895	50	40	BDGB	in-vitro
C/C(=N/NC(=O)c1ccccn1)C1CC1	16136640	LQGGEWFGDOFPRI-JYRVWZFOSA-N	203.245	1.597	50	40	BDGB	
N[P@@](=O)(N(CCCl)CCCl)N1CC1	104392647	CFHGTHKTQFLBEK-CYBMUJFWSA-N	246.078	1.148	50	40	BDGB	
O=C(CC1CCCC1)NNC(=O)c1ccncc1	15273441	FNSLLMVCURISEW-UHFFFAOYSA-N	247.298	1.423	50	40	BDGB	
OC[C@@H]1CCCCN1CCCCCl	43646844	KFGDXRIEIPOOOA-JTQLQIEISA-N	205.729	1.852	50	40	BDGB	
O=C(O)c1ccc2c3c(cccc13)C(=O)OC2=O	95584621	DVGKTVKVVIFKFP-UHFFFAOYSA-N	242.186	1.849	50	40	BDGB	
N#CCCN(CC(F)F)C(=O)CCl	257197892	MKLPWFVHOTYLDC-UHFFFAOYSA-N	210.611	1.233	50	40	BDGB	
O=C(NNCc1ccccc1)c1ccccn1	1670299	MAUBFEHMBSQXMM-UHFFFAOYSA-N	227.267	1.516	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc43)[C@@H]12	104046512	RIMNTCALPSPSGT-UKKRHICBSA-N	214.220	1.587	50	40	BDGB	
N#C/C(C(=O)c1ccco1)=C1/C=CC=CN1	109068820	UBEIWVIQJZCDFZ-MDZDMXLPSA-N	212.208	1.913	50	40	BDGB	
CC(C)CC(=O)NNC(=O)c1cccs1	5262181	NBURJQOWYKWJSY-UHFFFAOYSA-N	226.301	1.555	50	40	BDGB	
O=C(NCCCCl)c1ccccc1[N+](=O)[O-]	4690912	KJQNAIWETOXIFK-UHFFFAOYSA-N	242.662	1.954	50	40	BDGB	
Cc1cc(C)n(CCC(=O)NN=C2CCCC2)n1	5926146	DTVBUROVVBUTPZ-UHFFFAOYSA-N	248.330	1.936	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(N(C)C)o1	408850251	JMSYZUXCFJCKDH-CLFYSBASSA-N	233.271	1.341	50	40	BDGB	
NC(=O)N/N=C1/CCC[C@H]1c1ccccn1	33931414	VSICCGSPJVOABD-JMULNHFYSA-N	218.260	1.373	50	40	BDGB	
C/C(=N\NC(=O)c1cnccn1)c1cccnc1	13382275	NLGBUXQRIDFUAA-CXUHLZMHSA-N	241.254	1.026	50	40	BDGB	
CCn1cc(Cl)c2nc(CCl)cc(=O)n21	12398306	ISURLYJPSWYKRW-UHFFFAOYSA-N	246.097	1.908	50	40	BDGB	
O=S1(=O)[C@@H]2CCCC[C@@H]1[C@@H](Cl)[C@H]2Cl	101044270	XCLTYUCRBZFSLL-XUTVFYLZSA-N	243.155	1.941	50	40	BDGB	
C[C@]12OO[C@](C)(c3ccccc31)[C@H]1O[C@@H]12	104037766	CUTPXGIPWKCNTF-FIQHERPVSA-N	204.225	1.860	50	40	BDGB	
O=c1[nH]c(CBr)ccc1[N+](=O)[O-]	21985804	ABMSJQQYAJXQAH-UHFFFAOYSA-N	233.021	1.178	50	40	BDGB	
Cc1nc(N2CCOCC2)ccc1CCl	72224588	GNPPLTOLFJPTFA-UHFFFAOYSA-N	226.707	1.965	50	40	BDGB	
O=C1NC(=O)[C@@H](c2ccccc2)[C@H]1Cl	98095598	BIWSBXBZNXQEDE-JGVFFNPUSA-N	209.632	1.034	50	40	BDGB	
OB(O)c1ccc(Oc2ccccc2)cc1Cl	642814731	UJJWOUPARNIKCS-UHFFFAOYSA-N	248.474	1.812	50	40	BDGB	
CNC(=O)NNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	56375623	VOBLIKYXCHZHLI-IUCAKERBSA-N	239.319	1.185	50	40	BDGB	
Cc1ccc(CN(C)C(=O)CCl)o1	8155965	FWBLCAAYFDBWMO-UHFFFAOYSA-N	201.653	1.785	50	40	BDGB	in-vitro
C/C(=N/NC(N)=O)c1cc(C)ccc1C	33553143	CYTXVHOGSWXRST-LCYFTJDESA-N	205.261	1.696	50	40	BDGB	
CCN(CC)c1ccc(/C=N/NC(C)=O)o1	223506867	XASMNOWFSFBROC-XYOKQWHBSA-N	223.276	1.596	50	40	BDGB	
CC(C)OC(=O)OCCBr	157285873	CVPKVOIYFXKSCA-UHFFFAOYSA-N	211.055	1.943	50	40	BDGB	
C[C@@H]1CN(C(=O)C(Cl)Cl)C[C@@H](C)O1	67975	XJBUATOZQCCBQY-PHDIDXHHSA-N	226.103	1.426	50	40	BDGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OC	2799316	PRIBGFYXFDZGOZ-UXBLZVDNSA-N	246.266	1.486	50	40	BDGB	
Cc1ccc(S(=O)(=O)N=C=O)c(C)c1	41225438	JSMSCEBQAVDZIX-UHFFFAOYSA-N	211.242	1.328	50	40	BDGB	
N#C/C(=C/Nc1cccc([N+](=O)[O-])c1)C(N)=S	100423188	CAXCPTPOJCEUFY-SREVYHEPSA-N	248.267	1.700	50	40	BDGB	
COc1ccnc(NNC(=O)[C@@H]2CC=CCC2)n1	40510819	AGEWKZWKPCANJQ-SECBINFHSA-N	248.286	1.285	50	40	BDGB	
CC(C)=C1C(=O)OC(=O)/C1=C\c1cccn1C	101391591	UHGCXVXQUQMGAF-YFHOEESVSA-N	231.251	1.828	50	40	BDGB	
CCOC(=O)C[C@@]1(C)OC[C@H](CCl)O1	1676991	TUMTUTINUPUPTC-CBAPKCEASA-N	222.668	1.310	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(C)nc1	100205506	SJWSIQOQLAXLHX-YFHOEESVSA-N	231.255	1.773	50	40	BDGB	
C[C@@]12OO[C@](C)(c3ccccc31)[C@H]1O[C@@H]12	104037774	CUTPXGIPWKCNTF-NNYUYHANSA-N	204.225	1.860	50	40	BDGB	
Cc1occc1C(=O)NNC(=O)C[C@H]1C=CCC1	14229667	IPAQZEVZLMJAES-JTQLQIEISA-N	248.282	1.705	50	40	BDGB	
CCOC(=O)/C(C#N)=C/Nc1nc(C)cs1	6744449	QVQGLOWBTCOQPF-VMPITWQZSA-N	237.284	1.834	50	40	BDGB	
O=C(O)c1ccn(CCCl)c1C(=O)O	21301103	FLMNQXCXLLLKCQ-UHFFFAOYSA-N	217.608	1.123	50	40	BDGB	
CCSSCCS(=O)(=O)O	87489301	OHBMXYNEAXVIQF-UHFFFAOYSA-N	202.322	1.276	50	40	BDGB	
COc1ccc(C=C(C#N)C#N)c(O)c1	28393	ISIULWODSZOGST-UHFFFAOYSA-N	200.197	1.831	50	40	BDGB	
CCOC(=O)NNC(=S)Nc1ccccc1	5575141	SMNBJIDARAZJRY-UHFFFAOYSA-N	239.300	1.634	50	40	BDGB	
CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	11638223	QLTDVOMBNQVNKH-UHFFFAOYSA-N	247.081	1.774	50	40	BDGB	
CN(C)[C@H]1CC[C@H](N(C)C(=O)CCl)CC1	100178317	CWQORMFZVKAUQU-AOOOYVTPSA-N	232.755	1.556	50	40	BDGB	
CNC(=O)NNC(=O)c1ccc2c(c1)CCCC2	48950576	YAPCLYXQWMTBCL-UHFFFAOYSA-N	247.298	1.139	50	40	BDGB	
NNC(=O)Cc1nc(-c2ccccc2)cs1	4218639	HMSHIOWVUCPJNA-UHFFFAOYSA-N	233.296	1.343	50	40	BDGB	
CC(=O)N(N)c1ccccc1Br	71533881	BPDRQQATSGBMNP-UHFFFAOYSA-N	229.077	1.676	50	40	BDGB	
Cc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	42751793	YVUQWHCNYXDAEM-WQLSENKSSA-N	214.268	1.990	50	40	BDGB	
CO[Si](C)(C)C[C@H](C)CNCCN	199870553	XKHOHWZKCFNGEP-SECBINFHSA-N	204.390	1.022	50	40	BDGB	
CP(=O)(c1cccc(N)c1)c1cccc(N)c1	95705712	RSXMZZRQJUZMKU-UHFFFAOYSA-N	246.250	1.795	50	40	BDGB	
COCO[C@H](CBr)CCC#N	2382381	WTJDLSWMGLMXFB-ZETCQYMHSA-N	222.082	1.674	50	40	BDGB	
O=C(CCl)Nc1ccc2[nH]c(=O)oc2c1	5522411	WYOTUEQVJGEQIR-UHFFFAOYSA-N	226.619	1.298	50	40	BDGB	
C/C(=N\NC(N)=O)[C@@H]1C[C@@H](CC(C)C)C(=O)O1	4728752	XGSGWQPVGYSNRK-JWYMGWFMSA-N	241.291	1.008	50	40	BDGB	
COC(=O)[C@H](CCl)NC(=O)OC(C)(C)C	16698095	VAUXVOGTPPDPQC-LURJTMIESA-N	237.683	1.292	50	40	BDGB	in-vitro
CN(C)C(=O)/C(C#N)=C\c1cccc(O)c1	408846832	SILHUBGNZBARHE-POHAHGRESA-N	216.240	1.387	50	40	BDGB	
CO/C=C(/C#N)S(=O)(=O)c1ccccc1	70451486	UTXQAGXRTXVILK-NTMALXAHSA-N	223.253	1.472	50	40	BDGB	
C=C1CC(C(=O)N/N=C/c2ccc(O)cc2)C1	1022247	XEZSZPDHUUNTSA-RIYZIHGNSA-N	230.267	1.809	50	40	BDGB	
CCO/N=C1\CCC[C@H]1SS(=O)(=O)O	5048396	VBOAULZTUATPRP-UQBZRGDZSA-N	239.318	1.467	50	40	BDGB	
CCCOC(=O)[C@@]1(CCl)CCC(=O)O1	5432851	OMPVWYUIUKQOQX-VIFPVBQESA-N	220.652	1.254	50	40	BDGB	
CC(=O)N/N=C(/C)[C@H]1COc2ccccc2O1	477629	DDNTYJQUXYLCFF-YFBAIUBQSA-N	234.255	1.338	50	40	BDGB	
O=C(CBr)CCBr	114684908	OHXYQDOETYHEDS-UHFFFAOYSA-N	229.899	1.735	50	40	BDGB	
CCSC(=O)NN=C1C=CC(=O)C=C1	104031230	JAZHFUGGDGRNBE-UHFFFAOYSA-N	210.258	1.500	50	40	BDGB	
C[C@H]1C/C(=N\NC(N)=O)[C@H]2C[C@@H]1C2(C)C	4843965	USMSEBRNTOAJAR-IZPXIVAUSA-N	209.293	1.713	50	40	BDGB	
ClCC1CCN(c2ncccn2)CC1	34318421	XEOONRMTEFSPSW-UHFFFAOYSA-N	211.696	1.932	50	40	BDGB	in-vitro
COC(=O)N/N=C/c1ccc2c(c1)OCO2	1718531	OUVPSBIJHZNCKU-VZUCSPMQSA-N	222.200	1.105	50	40	BDGB	
O=C1[C@@H](Br)CCN1c1ccncc1	67802401	OAYADPORETVRBK-QMMMGPOBSA-N	241.088	1.582	50	40	BDGB	
NNC(=O)c1ccc(CN2CCCCCC2)o1	64873627	BCHGJBPYWWQXMW-UHFFFAOYSA-N	237.303	1.259	50	40	BDGB	
N#Cc1ccc(-c2ccc(C(=O)NN)o2)cc1	216876027	BQHACIXSFCOWNB-UHFFFAOYSA-N	227.223	1.422	50	40	BDGB	
COc1cc(Cl)cc(/C=N/NC(N)=O)c1O	370935	NDRRLKYPMUVRBR-UUILKARUSA-N	243.650	1.056	50	40	BDGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1O	6180713	QQEQBZMEFFOQIR-UUILKARUSA-N	243.650	1.056	50	40	BDGB	
CCC[C@@H]1C[C@@H](C#N)N(N(C)C)C1=C(C#N)C#N	4729894	OQKDHUQGASVMFK-PWSUYJOCSA-N	243.314	1.778	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-]	59333489	DUFXSQOUMAHZLK-YFHOEESVSA-N	245.238	1.590	50	40	BDGB	
NC(=O)Nc1ccc(C(=O)CCl)cc1	62151946	NTKLCVGZXFPCGL-UHFFFAOYSA-N	212.636	1.599	50	40	BDGB	in-vitro
O=C(NN=C1CCCC1)c1cc(O)ccc1O	16971678	QDLSSDJJQZFYLE-UHFFFAOYSA-N	234.255	1.758	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1cccc(Cl)c1	99968	BKMDREINDHMFQI-OITKXYCYSA-N	230.658	1.976	50	40	BDGB	
NNC(=O)Cc1csc2ccccc12	1561923	AMLKOOPVBWTKBS-UHFFFAOYSA-N	206.270	1.434	50	40	BDGB	
O=C(Cc1ccccc1)NNC(=O)C1CCCC1	3428473	PKXNUZLBRBMQNR-UHFFFAOYSA-N	246.310	1.567	50	40	BDGB	
C[C@@H](Br)C(=O)N1CCCCC1	39376055	CTDHDLROJGGHCN-SSDOTTSWSA-N	220.110	1.782	50	40	BDGB	
Cn1nc(C(F)(F)F)cc1C(=O)Cl	6319596	PLGFQFMBCLCVRB-UHFFFAOYSA-N	212.558	1.818	50	40	BDGB	
CCN(C[C@H]1CCCN1C)C(=O)CCl	79406526	DYNIIJADAYVQTD-SECBINFHSA-N	218.728	1.168	50	40	BDGB	
OCCOC[C@H](Br)C(F)(F)F	1083808057	YSFJUNOSZCRNBQ-BYPYZUCNSA-N	237.015	1.321	50	40	BDGB	
N#CC1=C(N)N(c2cccc(F)c2)C(=O)C1	377173	IZINAMZYTQRGKN-UHFFFAOYSA-N	217.203	1.256	50	40	BDGB	
N#C[C@@H](Cl)CS(=O)(=O)c1ccccc1	339644	IWXBVRBZXCRQEB-MRVPVSSYSA-N	229.688	1.591	50	40	BDGB	
CCOc1ccc(/C=N/NC(=O)C2CC2)cc1O	2780067	CFPKQWGJAMJXJT-RIYZIHGNSA-N	248.282	1.651	50	40	BDGB	
CC(=O)CN1c2ccccc2[C@@H](Cl)[C@H]1C=O	103406409	VKQCIGDZSLAMBT-VXGBXAGGSA-N	237.686	1.943	50	40	BDGB	
Cc1cccc(C)c1OCC(=O)NNC(C)C	35653724	BEVYMGUBLLECCZ-UHFFFAOYSA-N	236.315	1.711	50	40	BDGB	
COCCN/C=C(\C#N)C(=O)C(C)(C)C	2549844	JEUBNXXPASCRLU-CMDGGOBGSA-N	210.277	1.245	50	40	BDGB	
COc1cccc(OCC(=O)NN=C(C)C)c1	376656	ULGQJNZYGIVZMV-UHFFFAOYSA-N	236.271	1.586	50	40	BDGB	
Cc1ccc(C(=O)OCCNCCCl)cc1	1763020	ZGYWUHGSWZOAGF-UHFFFAOYSA-N	241.718	1.980	50	40	BDGB	
O=C1N=CC(Br)=C[C@H]1Cl	22000015	DWDITVGAGNGXCZ-SCSAIBSYSA-N	208.442	1.484	50	40	BDGB	
C[Si](C)(C)C#CC(=O)CBr	220851301	AUXMRAOWTLDXNT-UHFFFAOYSA-N	219.154	1.831	50	40	BDGB	
COC(=O)N/N=C(\C)c1ccccc1O	100047306	YDDKNJIGRRUFCN-YRNVUSSQSA-N	208.217	1.472	50	40	BDGB	
COc1ccc(/C(C)=N/NC(C)=O)cc1	4714606	QOCZPPHVOJRFHR-XYOKQWHBSA-N	206.245	1.555	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@@H]3C[C@H](c4ccccc43)[C@@H]12	104046524	RIMNTCALPSPSGT-GWOFURMSSA-N	214.220	1.587	50	40	BDGB	
O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1ccccn1	100434048	JOMMGSHZFUTLSY-VMOFNBAQSA-N	229.283	1.987	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1ccc(N)cc1	6147260	KYSGEFODWJBPDP-YFHOEESVSA-N	216.240	1.739	50	40	BDGB	
CC(C)N(C)C[C@@H]1CCCCN1C(=O)CCl	79419154	ZVAJMDVBNVFWOV-NSHDSACASA-N	246.782	1.947	50	40	BDGB	
Cc1nc2cc(C(=O)NN(C)C)ccc2s1	408976978	HIUWYUOSLHIGPR-UHFFFAOYSA-N	235.312	1.811	50	40	BDGB	
CC(/C=C/c1ccc(O)cc1)=N/NC(N)=O	5369618	IKDJOJMSRRXVBV-CQKMHEBXSA-N	219.244	1.450	50	40	BDGB	
Cc1onc(-c2ccccc2)c1C(=O)NN(C)C	53437	LSBDMJYJPVVNAS-UHFFFAOYSA-N	245.282	1.856	50	40	BDGB	
COc1ccc(/C(C)=N/NC(=O)CC#N)cc1	4709035	RBZHVCLKHWSIFD-NTEUORMPSA-N	231.255	1.449	50	40	BDGB	
O=C(Cl)Cn1ccc(C(F)(F)F)n1	26461810	AIJQCMYGFMQODH-UHFFFAOYSA-N	212.558	1.667	50	40	BDGB	
C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccco1	18121895	RKWXXJMWTAMLTF-MDWZMJQESA-N	232.243	1.465	50	40	BDGB	
O=C(CCl)NC[C@@H](O)c1ccccc1	40438516	VJUZVICWVRCGDU-SECBINFHSA-N	213.664	1.075	50	40	BDGB	
C=C(Br)CNC(=O)CCCl	1673688	XFKJOHKKXUYIHR-UHFFFAOYSA-N	226.501	1.640	50	40	BDGB	
N#CSCC(=O)Nc1cccc([N+](=O)[O-])c1	4838288	AIUFQAUGNKHLPH-UHFFFAOYSA-N	237.240	1.748	50	40	BDGB	
Cn1cnc(Br)c1CCl	57346876	OSSSXNMNQVZPRP-UHFFFAOYSA-N	209.474	1.921	50	40	BDGB	
Cc1cc(C)cc(C[C@@H]2CC(=O)OC2=O)c1	101460088	PURGAZYZLOQULI-LLVKDONJSA-N	218.252	1.936	50	40	BDGB	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccco1	103334025	JKZLNWFBIUZOLB-GUBZILKMSA-N	248.282	1.477	50	40	BDGB	
CCOC(=O)/C(C#N)=C\NCc1cccnc1	100295138	AXXRFYYGRVSRSN-LUAWRHEFSA-N	231.255	1.142	50	40	BDGB	
O=C(CCl)NC(=O)OCc1ccccc1	4218690	PFOQENPGHAIKIH-UHFFFAOYSA-N	227.647	1.678	50	40	BDGB	in-vitro
N#CC(C#N)=Cc1ccc(S[C+](N)N)o1	118936147	DFIWMNSINIJPDP-UHFFFAOYSA-O	219.249	1.167	50	40	BDGB	
CC(C)N(C)C[C@@H]1CCCN(C(=O)CCl)C1	79419161	VLZFKBYBJPBSSR-NSHDSACASA-N	246.782	1.804	50	40	BDGB	
O=C(CCl)[C@H]1CCCN1C(=O)C(F)(F)F	76687928	WXOONYPBXSUAAV-RXMQYKEDSA-N	243.612	1.348	50	40	BDGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)C1CC1	102596536	UIPNVDQIFDBWAD-MIHCRQSLSA-N	206.289	1.935	50	40	BDGB	
Cc1cc(C)c(NC(=O)CCC(=O)NN)c(C)c1	1435483	ZWAXQBSHOCWKFD-UHFFFAOYSA-N	249.314	1.320	50	40	BDGB	
CCCCNc1ccc(C(=O)NN)cc1	1652274	OGSHYNXBHZYELT-UHFFFAOYSA-N	207.277	1.502	50	40	BDGB	
CC[C@H](C)N1CCN(CCCl)CC1	22464922	HUPOEGRZAFSFJU-JTQLQIEISA-N	204.745	1.641	50	40	BDGB	in-vitro
O=C(O)[C@@H](Cl)[C@H](C(=O)O)c1ccccc1	1753258	NGZHTYMBEZQKIN-SFYZADRCSA-N	228.631	1.547	50	40	BDGB	
CCC(=O)N/N=C/c1ccc(O)c(OC)c1	3160806	OKXOFXVERMFFSA-KPKJPENVSA-N	222.244	1.261	50	40	BDGB	
CCn1c(C)cc(/C=N/NC(=O)CC#N)c1C	409073612	WMHBRSVPONUCFV-RIYZIHGNSA-N	232.287	1.489	50	40	BDGB	
C[C@H](Cl)C(=O)NCC(=O)c1ccccc1	68576438	VKHYJWMJSOOKJR-QMMMGPOBSA-N	225.675	1.613	50	40	BDGB	in-vitro
COC(=O)[C@H](NC(=O)CCl)c1ccccc1	2586666	WUPUVHBMCLHMTR-SNVBAGLBSA-N	241.674	1.256	50	40	BDGB	in-vitro
COC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	70216	OPYIWYGMMQZLBB-XFFZJAGNSA-N	237.215	1.675	50	40	BDGB	
O=C(NC1(C(=O)O)CCCC1)C(Cl)Cl	1680894	YUNHQBOCSNVZHN-UHFFFAOYSA-N	240.086	1.304	50	40	BDGB	
C[N+](C)(C)CI	2007443	IHYUSIMWXXUFAR-UHFFFAOYSA-N	200.043	1.085	50	40	BDGB	
CC12[C@@H]3C4[C@H]5C(=O)OC(=O)[C@@H]5C5[C@H]3C1(C)[C@H]5[C@@H]42	104281655	VSXGOCWVVVTOMM-NLOBSYKZSA-N	230.263	1.080	50	40	BDGB	
CN1C(=O)Cc2cc(C(=O)CCl)ccc21	4218312	RRFQHTVONYSCEQ-UHFFFAOYSA-N	223.659	1.627	50	40	BDGB	in-vitro
C/C(=N\NC(=O)C1CC1)c1cccc(N)c1	4579653	AKNTZESOFKUQDY-RIYZIHGNSA-N	217.272	1.519	50	40	BDGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2OCCC[C@@H]21	4267488	VGTJSJZCANETMB-FOGDFJRCSA-N	237.255	1.356	50	40	BDGB	biogenic
Cc1ccc2occ(/C=N/NC(N)=O)c(=O)c2c1	550882	HQPSNXOOZIZOPN-LHHJGKSTSA-N	245.238	1.104	50	40	BDGB	
CSc1nc(O)cc(NC(=O)CCl)n1	16955269	LYPYOZADNRPSHX-UHFFFAOYSA-N	233.680	1.081	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(OC)c(O)c1	172002	MLAUWISSFANCPN-KPKJPENVSA-N	238.243	1.481	50	40	BDGB	
O=C1N=CC(Br)=C[C@@H]1Cl	22000018	DWDITVGAGNGXCZ-BYPYZUCNSA-N	208.442	1.484	50	40	BDGB	
CC(=O)Oc1ccc([C@H]2CC(=O)OC2=O)cc1	100227421	ABMHHGRAKIODFS-SNVBAGLBSA-N	234.207	1.169	50	40	BDGB	
C#CCO[C@H]1CCC[C@H]1Br	39118006	SQQPFWGVBRZKRC-SFYZADRCSA-N	203.079	1.952	50	40	BDGB	
CCCCn1cc(C2CC(=O)OC(=O)C2)cn1	217687201	OVMAWJDTKQAAGB-UHFFFAOYSA-N	236.271	1.630	50	40	BDGB	
O=C1COc2ccc([C@@H](O)CCl)cc2N1	96361313	RTTFWKSVQQGLDF-QMMMGPOBSA-N	227.647	1.290	50	40	BDGB	
Cc1cc(C)c([C@H]2NC(=O)OC2=O)c(C)c1	1772714950	IJYNKASDANZXCN-SNVBAGLBSA-N	219.240	1.919	50	40	BDGB	
CC(=O)NNC(=O)c1oc2ccccc2c1C	3317508	MUYGVOSIXOGNAP-UHFFFAOYSA-N	232.239	1.522	50	40	BDGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(N)=S	135346	ZJUPLUDEWMWRRF-YVMONPNESA-N	233.252	1.788	50	40	BDGB	
C[C@H]1CN(C(=O)C(Cl)Cl)C[C@H](C)O1	67978	XJBUATOZQCCBQY-WDSKDSINSA-N	226.103	1.426	50	40	BDGB	
COc1ccc(NC(=O)C(=O)NN=C(C)C)cc1	59515784	DRKWLXDCQJOQOP-UHFFFAOYSA-N	249.270	1.146	50	40	BDGB	
O=CN/N=C/c1c(O)ccc2ccccc12	1710938	ARGMWTRVKNOTRD-NTUHNPAUSA-N	214.224	1.625	50	40	BDGB	
C[C@H]1CO[C@@H]([C@@H]2C[C@@H]3C[C@@H]2[C@H](O)[C@@H]3Cl)O1	100927066	ALRFFJGNNDCJFL-SGJWZZTPSA-N	232.707	1.372	50	40	BDGB	
O=C(N[N+](=O)[O-])c1ccc(Cl)cc1	5569521	KZHMIHZVNUEVTA-UHFFFAOYSA-N	200.581	1.262	50	40	BDGB	
COC(=O)N/N=C/c1ccc(F)cc1F	5163744	XLNVDGVISBKYEN-LFYBBSHMSA-N	214.171	1.655	50	40	BDGB	
COc1ccccc1N/C=C(/C#N)C(N)=S	100724160	YUHVORSRUMDSBY-FPLPWBNLSA-N	233.296	1.801	50	40	BDGB	
NNC(=O)CNc1ccc2ccccc2c1	244375	IFOZONXHXWJEQA-UHFFFAOYSA-N	215.256	1.242	50	40	BDGB	
CCC/C(=N/NC(N)=O)c1ccc(C)nc1	4972886	HSFYHSVWAIBMKE-UVTDQMKNSA-N	220.276	1.563	50	40	BDGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCCO	6395509	GHWGQSRMWXINMT-UHFFFAOYSA-N	229.283	1.836	50	40	BDGB	
CCN1CCN(C[C@H](C)CCl)CC1	70067342	TVPWCYXLUCOXRJ-SNVBAGLBSA-N	204.745	1.499	50	40	BDGB	
CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(O)C#N	97972452	IDLYALOFRASWPG-JOYOIKCWSA-N	240.303	1.708	50	40	BDGB	
CC(C)(C)[C@H](O)[C@@H](Cl)S(C)(=O)=O	96518898	QXAOPBFAOMFYPF-RITPCOANSA-N	214.714	1.003	50	40	BDGB	
O=C(C[n+]1ccccc1)NN=C1CCCC1	5583127	DWPGPPNIQUJNFM-UHFFFAOYSA-O	218.280	1.020	50	40	BDGB	
COc1ccccc1N/C=C(\C#N)C(N)=S	102628669	YUHVORSRUMDSBY-BQYQJAHWSA-N	233.296	1.801	50	40	BDGB	
C/C(=N\NC(=O)c1cccnc1)c1cccnc1	136721	FOONZJPAQUHJMG-MHWRWJLKSA-N	240.266	1.631	50	40	BDGB	
NNC(=O)/C=C/c1ccc(Cl)c(Cl)c1	37387950	OWWQPKLQMYKBPN-DUXPYHPUSA-N	231.082	1.997	50	40	BDGB	
CC(=O)c1sc(NC=C(C#N)C#N)nc1C	5678654	HBKRHXUKIRNORB-UHFFFAOYSA-N	232.268	1.997	50	40	BDGB	
O=C(CCl)Nc1ccc2cn[nH]c2c1	5323376	JYGCDFOQJCYRRM-UHFFFAOYSA-N	209.636	1.740	50	40	BDGB	
CN(C)NC(=O)[C@@]12C[C@H]3CC[C@@]1(C)[C@@]3(C)CO2	104506615	RGFNGOZVDOJMHY-IXOXFDKPSA-N	238.331	1.175	50	40	BDGB	
C/C(CC(=O)Nc1cccc(C)c1C)=N\NC=O	4588057	SWJIDMOXYYARPO-MHWRWJLKSA-N	247.298	1.754	50	40	BDGB	
C[C@@]1(CCl)CN(CC(F)(F)F)C1=O	1535644824	QFHJISDFFOXUTR-ZCFIWIBFSA-N	215.602	1.636	50	40	BDGB	
CN1CCC[C@@H](CI)C1	79436944	MCRCECHTCHRKAM-ZETCQYMHSA-N	239.100	1.763	50	40	BDGB	
O=C(N/N=C\c1cccc(F)c1)c1ccncc1	31820392	IRBHNKPBXBJIAJ-SXGWCWSVSA-N	243.241	1.985	50	40	BDGB	
O=C=Nc1ccc([C@H]2CNCCO2)c(F)c1	95079919	CHPUPBFNQFLMIY-LLVKDONJSA-N	222.219	1.454	50	40	BDGB	
Cc1nc2cc(NC(=O)NN)ccc2o1	258829123	VBKLODCIUPWVCE-UHFFFAOYSA-N	206.205	1.131	50	40	BDGB	
CO[C@H]1C[C@@H](C)C(=C(C#N)C#N)N1N(C)C	5499990	SOGCKEHXBXEGCM-SCZZXKLOSA-N	220.276	1.079	50	40	BDGB	
COC(=O)C1(NC(=O)CCl)CCCCC1	82167757	APCLZSBKPHTAGP-UHFFFAOYSA-N	233.695	1.217	50	40	BDGB	in-vitro
O=C1O[C@@H]2C[C@H]1CC[C@H]2Br	5179579	HIEDNXSBEYNHJB-HSUXUTPPSA-N	205.051	1.475	50	40	BDGB	
NNC(=O)/C=C/c1c(Cl)cccc1Cl	37388048	AOVHVKKCTLVWJD-SNAWJCMRSA-N	231.082	1.997	50	40	BDGB	
N=C(N)CCSSCCC(=N)N	5369053	OHKILTRMEKHOSQ-UHFFFAOYSA-N	206.340	1.020	50	40	BDGB	
C=CCOc1cccc(/C=N/NC(C)=O)c1	7946443	RFFNXTRRJBFISB-UKTHLTGXSA-N	218.256	1.721	50	40	BDGB	
N#CC(C#N)=C1C(C#N)=C(N)O[C@@H]1c1ccccc1	128749	CLWBUPPCKHVLRI-CYBMUJFWSA-N	248.245	1.796	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)c2ccco2)cc1	236012	DIONZVGMFIWOIF-UHFFFAOYSA-N	244.250	1.663	50	40	BDGB	
Cc1occc1C(=O)N/N=C/c1cccn1C	28543	WCNLWRPBCGEAPO-MDWZMJQESA-N	231.255	1.690	50	40	BDGB	
O=C(Cc1ccccc1)OCCNCCCl	1763014	KWWAXGRWQXGKKW-UHFFFAOYSA-N	241.718	1.601	50	40	BDGB	
CC1=C(C)[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12	104281640	BDIHXCWQHPNJAL-DCHHYWPUSA-N	230.263	1.700	50	40	BDGB	
Cc1ccc(NC(=O)CCC(=O)NN)c(C)c1	2643596	NUZLXTGAIXCZCJ-UHFFFAOYSA-N	235.287	1.012	50	40	BDGB	
COc1ccc(C(=O)CBr)c(O)c1	82309223	MUAXRYZKFINGSK-UHFFFAOYSA-N	245.072	1.978	50	40	BDGB	
Cc1ccccc1-c1ocnc1C(=O)NN	226101103	WKZYEFMWAVLQHL-UHFFFAOYSA-N	217.228	1.254	50	40	BDGB	
N#C/C(N)=C(/C#N)N=Cc1ccc(Cl)cc1	254844424	KJZDATYEDLQQIQ-GMESXRFWSA-N	230.658	1.976	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(O)cc1	171988	NZVWFMVXQQJWEX-YRNVUSSQSA-N	208.217	1.472	50	40	BDGB	
COc1ccc(/C=N/NC(N)=O)cc1C(C)(C)C	6761884	YNYSNLGBPXOZPN-OVCLIPMQSA-N	249.314	1.995	50	40	BDGB	
C[C@]12CN(Cc3ccccc3)C[C@@H]1C(=O)OC2=O	100235375	AZESXJFLIKBPPG-RISCZKNCSA-N	245.278	1.208	50	40	BDGB	
COc1cccc(CBr)n1	34180529	XHWDFGQAXHSIMH-UHFFFAOYSA-N	202.051	1.985	50	40	BDGB	in-vitro
O=C(N/N=C/c1ccsc1)c1ccccn1	2794903	COYSMELCRUFHGH-NTUHNPAUSA-N	231.280	1.907	50	40	BDGB	
CN1CCC[C@H](CN(C(=O)CCl)C2CC2)C1	79406740	WRYKLURJTNZUMC-JTQLQIEISA-N	244.766	1.558	50	40	BDGB	
Cc1cc([N+](=O)[O-])cc(NC=O)c1OC=O	97966009	ZVAXVBWBNVDALD-UHFFFAOYSA-N	224.172	1.007	50	40	BDGB	
ClP(N1CCOCC1)N1CCOCC1	95698296	LMQYERHSWTWFIH-UHFFFAOYSA-N	238.655	1.117	50	40	BDGB	
Cc1ccc([C@H](O)[C@@H](Cl)S(C)(=O)=O)cc1	96518866	PLHHEYQCXGSEKT-UWVGGRQHSA-N	248.731	1.638	50	40	BDGB	
CC(C)[C@H](/C=N/NC(N)=O)CC[C@H](C)C(=O)O	4266524	NDWFETOVNYWBHY-ALFWRMCVSA-N	243.307	1.414	50	40	BDGB	
N#CC1=C(N)N/C(=C\c2ccc(Cl)cc2)C1=O	1588778	RTNYZCPCFVTZLU-YHYXMXQVSA-N	245.669	1.547	50	40	BDGB	
CC[C@@H](Oc1cccc(Cl)c1)C(=O)NN	5954018	AXUGVYXWKNLULN-SECBINFHSA-N	228.679	1.487	50	40	BDGB	
Cc1nc([N+](=O)[O-])c(NCCCl)n1C	12397668	KGFRSNJTTPEMFM-UHFFFAOYSA-N	218.644	1.287	50	40	BDGB	
COC(=O)/C=C\N(CCCl)CCCl	104392390	UUJPHLPOKGRGEH-DJWKRKHSSA-N	226.103	1.453	50	40	BDGB	
O=C(N/N=C\c1cccs1)c1cnccn1	5010093	SGAOTMMINQIWFZ-MLPAPPSSSA-N	232.268	1.302	50	40	BDGB	
Cn1cccc1/C=N\NC(=O)c1ccccn1	33089275	SEAQZXSJRUUEAF-ZROIWOOFSA-N	228.255	1.184	50	40	BDGB	
CC(C)(C)OC(=O)NCc1noc(CCl)n1	70453725	XQJSLFSMGIOOMP-UHFFFAOYSA-N	247.682	1.833	50	40	BDGB	
C/C(O)=C(/C#N)C(=O)Nc1nc(C)cc(C)n1	100913474	NYYDGBDGCSARCV-CMDGGOBGSA-N	232.243	1.388	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	266179	BPWJVJQGZGBDJH-WEVVVXLNSA-N	227.176	1.268	50	40	BDGB	
CCOC(=O)[C@H]1CCC(=O)[C@H](Br)C1	39340289	IGOWSOGBQMBHIY-NKWVEPMBSA-N	249.104	1.682	50	40	BDGB	
O=C(O/N=C1\CCCCCN1)C(Cl)Cl	5494794	NNKYGAKCAMFYKL-UHFFFAOYSA-N	239.102	1.810	50	40	BDGB	
O=C(O)[C@@H]1C[C@H](Cl)[C@H](Cl)C[C@H]1C(=O)O	4792243	BNJOWVKINLETCR-KAZBKCHUSA-N	241.070	1.397	50	40	BDGB	
Br[C@@H]1OCCO[C@H]1Br	103590916	HZDLDQRLDYAQRU-QWWZWVQMSA-N	245.898	1.475	50	40	BDGB	
COC(=O)[C@@H](O)[C@H](Cl)c1ccccc1	3852367	OZWSWCDGHNEYLG-BDAKNGLRSA-N	214.648	1.500	50	40	BDGB	biogenic
NNC(=O)c1ccc(CCc2ccccc2)[nH]1	226029152	USDXTICUUPKJHJ-UHFFFAOYSA-N	229.283	1.403	50	40	BDGB	
CS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccccc1	96518829	CWBNAKJPRGFNKX-RKDXNWHRSA-N	234.704	1.330	50	40	BDGB	
O=C(NCCCl)NC[C@H]1CCCCO1	5566905	OSXOLLFXKMDCON-MRVPVSSYSA-N	220.700	1.094	50	40	BDGB	
NNC(=O)c1ccc(Oc2ccc(O)cc2)cc1	337023	PKLMQOLWYKZZLJ-UHFFFAOYSA-N	244.250	1.788	50	40	BDGB	
COc1ccccc1OCC(=O)CCl	32013001	RHBWDDBXVYYJLE-UHFFFAOYSA-N	214.648	1.882	50	40	BDGB	
CCOc1c(Cl)cc(C(=O)NN)cc1OC	193441862	GTEGSNCSOJLJCG-UHFFFAOYSA-N	244.678	1.351	50	40	BDGB	
OB(O)c1cc(Cl)cc(C(F)(F)F)c1F	382774399	YLUJXEGLBJMSAT-UHFFFAOYSA-N	242.364	1.178	50	40	BDGB	
C[C@H](Cl)C(=O)NNC(=O)c1ccc(F)cc1	12505073	MJFLYPJTJRUMBN-LURJTMIESA-N	244.653	1.214	50	40	BDGB	
CC(C)c1ccc2c(c1)/C(=N\NC(N)=O)C(=O)N2	7894987	QFPQVCUBBZPRBX-UHFFFAOYSA-N	246.270	1.135	50	40	BDGB	
C/C(=N\NC(=O)c1n[nH]c2c1CCC2)C1CC1	4714812	XIKXDGUKIFLLIN-NTUHNPAUSA-N	232.287	1.414	50	40	BDGB	
CC(=O)N/N=C(\C)c1ccc(C)c([N+](=O)[O-])c1	4964516	CKQSXSYKEAXLHB-XYOKQWHBSA-N	235.243	1.763	50	40	BDGB	
COC(=O)N1CC[C@@H]2[C@@H](C)C=C(C#N)O[C@@H]21	4267693	LWFJZAAHBCLHQF-SFGNSQDASA-N	222.244	1.475	50	40	BDGB	biogenic
C[C@H](N)C(=O)NC1CCC(Br)CC1	79391906	QPCWEUZSPZIGSI-KKMMWDRVSA-N	249.152	1.156	50	40	BDGB	
Cc1nn(CCC(=O)Cl)c(C)c1C	34927123	FINHBVVXUQCUEN-UHFFFAOYSA-N	200.669	1.964	50	40	BDGB	
CC(C)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1	97499311	DDVYNNIMSYADCA-GHXNOFRVSA-N	235.243	1.701	50	40	BDGB	
C[C@H](C(=O)NCCCCl)N1CCCCC1	575423809	RIYYOCWWQJWNCL-SNVBAGLBSA-N	232.755	1.606	50	40	BDGB	
NNC(=O)CCSC(=O)Nc1ccccc1	1580525	SVTDPTKOQOLWNE-UHFFFAOYSA-N	239.300	1.332	50	40	BDGB	
O=C(CCl)NCCc1ccsc1	42315595	CMPPZHOMUCPMNH-UHFFFAOYSA-N	203.694	1.646	50	40	BDGB	in-vitro
Cc1ccc(/C=C(/C#N)C(=O)N(C)C)o1	59333600	GKHHLZKMUUKMIY-TWGQIWQCSA-N	204.229	1.583	50	40	BDGB	
C[C@@H]1CCCC[C@H]1OCCNC(=O)CCl	60273313	RVMIESYPNSHJQN-NXEZZACHSA-N	233.739	1.937	50	40	BDGB	in-vitro
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CCl	3887843	ZWSFVDCOYNLKDQ-LLVKDONJSA-N	239.702	1.542	50	40	BDGB	
CC[C@](C)(C(=O)NN)N1CCCC[C@H]1C	260575747	VKQWNKWYYQMFSC-MWLCHTKSSA-N	213.325	1.019	50	40	BDGB	
CCOC(=O)/C=C(\C)CBr	22058765	JIPWHZOYUGYXFA-GQCTYLIASA-N	207.067	1.891	50	40	BDGB	in-vitro
NC(=O)N/N=C1\CCCCc2ccccc21	5161631	ZGVPGUWXAWGLFP-SDNWHVSQSA-N	217.272	1.785	50	40	BDGB	
CC(C)(C)OC(=O)N1CCOC[C@@H]1CCl	159446336	GMMQLVFFMKDMJC-QMMMGPOBSA-N	235.711	1.861	50	40	BDGB	
Cc1nc(-c2ccccc2)ncc1C(=O)NN	158936	YMKFWAHMWXBBLI-UHFFFAOYSA-N	228.255	1.056	50	40	BDGB	
CNC(=O)[C@H](Br)C(C)(C)C	163889	GMQFDBJCQPEPSR-YFKPBYRVSA-N	208.099	1.542	50	40	BDGB	
CCOC(=O)NNC(=N)Cc1ccccc1	1647547	HPHKSRUYJZEUIK-UHFFFAOYSA-N	221.260	1.457	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1ccccc1Cl	11638427	LZBJLXCGDMXEMQ-UHFFFAOYSA-N	240.690	1.757	50	40	BDGB	
Cc1sc(-n2cccc2)c(C(=O)NN)c1C	83548	KFBNGLIIGYSOMP-UHFFFAOYSA-N	235.312	1.759	50	40	BDGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@@H]12)c1ccncc1	20754360	RZILNFWTGIFZHJ-MOBAYIMXSA-N	227.267	1.763	50	40	BDGB	
O=CC1=C(c2ccccc2)Nc2ncnn2C1	97139002	DDSDBUWZBWJQKW-UHFFFAOYSA-N	226.239	1.314	50	40	BDGB	in-vitro
CCOC(=O)c1cc(C(=O)Cl)nn1CC	408717547	HCARPUKDWVYNFZ-UHFFFAOYSA-N	230.651	1.459	50	40	BDGB	
CC1=CC(O)=C(C#N)C(C)(C)[C@@]1(C#N)C(=O)O	31688698	DRHJHIYBYUIVTQ-GFCCVEGCSA-N	232.239	1.903	50	40	BDGB	
FC(F)(F)[C@@H](Br)COC[C@@H]1CO1	1083807920	CLVRTYMKWAIHGQ-UHNVWZDZSA-N	249.026	1.728	50	40	BDGB	
O=C(N/N=C/c1ccccn1)c1ccc(O)cc1	231670	VFAXIPWLNFNJFM-OQLLNIDSSA-N	241.250	1.551	50	40	BDGB	
CCOC(=O)C1=C(C)C/C(=N\NC(N)=O)CC1	16951906	GUIQSZKOYGNAJD-JYRVWZFOSA-N	239.275	1.074	50	40	BDGB	
Cc1ccc(C(=O)N/N=C\c2cccnc2)cn1	30803104	PRLRBDBDHJPPFT-PXNMLYILSA-N	240.266	1.549	50	40	BDGB	
CCOC(=O)NNC(=O)CC(C)(C)C	40487829	NZTNDFFCAJHTSI-UHFFFAOYSA-N	202.254	1.200	50	40	BDGB	
COC(=O)N/N=C/c1ccc(C#N)cc1	358344	DQGCPFVVXLGNJL-KPKJPENVSA-N	203.201	1.248	50	40	BDGB	
CSc1ncnc2c1ncn2CCCl	1687420	FAOCJACWXNUMFZ-UHFFFAOYSA-N	228.708	1.787	50	40	BDGB	
O=C(O)N/N=C\c1cc(Cl)ccc1O	104369934	AETZGWXZIWSDGT-WMZJFQQLSA-N	214.608	1.647	50	40	BDGB	
CC(=O)N/N=C/c1ccc(N2CCCC2)c(F)c1	409073863	NTYYJYLCYYKKEH-OQLLNIDSSA-N	249.289	1.896	50	40	BDGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1SC#N	4545045	UXJYCHMSIPVVSF-SNVBAGLBSA-N	231.280	1.992	50	40	BDGB	
O=C(CO)N/N=C/c1ccccc1C(F)(F)F	4660348	AHSPHOMHZNGGOK-LHHJGKSTSA-N	246.188	1.148	50	40	BDGB	
CCN(C(=O)CCl)[C@@H]1CCCC[C@@H]1N(C)C	79406589	FBHJEFCCGRIVEX-WDEREUQCSA-N	246.782	1.947	50	40	BDGB	
CN(C[C@H]1CCCN(C(=O)CCl)C1)C1CC1	79419238	QWADKQMLXRPETL-SNVBAGLBSA-N	244.766	1.558	50	40	BDGB	
CCN(CC)[C@H](C(=O)NN)c1ccccc1	82466068	NXHIBCZBBYXWFR-NSHDSACASA-N	221.304	1.059	50	40	BDGB	
CNC(=O)/C(C#N)=C/c1ccc(O)cc1	21316006	SJWSZMLXHLKVGO-RMKNXTFCSA-N	202.213	1.045	50	40	BDGB	
CCOCCC(=O)NNc1ccccc1	1847337	NBIDCSCSXMTBEB-UHFFFAOYSA-N	208.261	1.556	50	40	BDGB	
O=C(NNC(=O)c1ccco1)c1cccc(F)c1	3429129	VTVRGASTXLENOT-UHFFFAOYSA-N	248.213	1.494	50	40	BDGB	
Cn1ncc2cc(NC(=O)CCl)ccc21	95215794	NJLGEHCTKYVJHX-UHFFFAOYSA-N	223.663	1.751	50	40	BDGB	
O=C(O)c1c[nH]nc1C1CC(Br)C1	685937694	OPUWLXAKQPWRCX-UHFFFAOYSA-N	245.076	1.749	50	40	BDGB	
COc1ccccc1C(=O)O/N=C(\N)CCl	8552865	JMZKNTMOWROADX-UHFFFAOYSA-N	242.662	1.363	50	40	BDGB	
N=C(N)SC[P@](=O)(O)CCl	4791515	ZPQLQRBKZZQUDT-UHFFFAOYSA-N	202.603	1.037	50	40	BDGB	
COc1ccc(/C=N/NC(=O)C2CC2)c(OC)c1	2780036	VJRCYKQFOMUQIO-RIYZIHGNSA-N	248.282	1.564	50	40	BDGB	
O=C1c2ccccc2[C@H](O)N1CCCl	81135642	BLRMQYDBTGVPNL-VIFPVBQESA-N	211.648	1.372	50	40	BDGB	
CCOC(=O)c1cnc([C@H](C)O)nc1CCl	72220966	XSMKXKGNMPIKEZ-LURJTMIESA-N	244.678	1.445	50	40	BDGB	
C[C@@H](Cl)C(=O)NNC(=O)c1ccccc1F	95883593	RVACGMVKMPLCPD-ZCFIWIBFSA-N	244.653	1.214	50	40	BDGB	
Cc1cc(SCC(=O)NN)c2ccccc2n1	5739837	FYWVXBVNXZELCR-UHFFFAOYSA-N	247.323	1.625	50	40	BDGB	
C[C@H](Cl)C(=O)NCc1cccs1	7991074	FTWRCCDSFPYNQB-LURJTMIESA-N	203.694	1.992	50	40	BDGB	in-vitro
COC(=O)[C@H]1[C@@H]2CC(=O)[C@@H]1C[C@@H]2Br	217922546	HJVJEVYKBDLXPL-LKXGYXEUSA-N	247.088	1.148	50	40	BDGB	
O=C(CCl)N(CCO)c1ccccc1	34936191	URKKKJPZOQINOF-UHFFFAOYSA-N	213.664	1.251	50	40	BDGB	
NCCCCSSCCCCN	144163037	IQAKCMQAZKIYQQ-UHFFFAOYSA-N	208.396	1.846	50	40	BDGB	
IC[C@H]1CCCO1	5600268	BMZJORGYEOQMFR-RXMQYKEDSA-N	212.030	1.600	50	40	BDGB	
C/C(CC[C@H](CC(=O)O)C(C)C)=N/NC(N)=O	16971148	CTGNZQZUICOFQC-PGEKAQRJSA-N	243.307	1.558	50	40	BDGB	
O=C(NCCCl)c1ccc2c(c1)OCO2	1621654	RDXMUXJIVYZZMC-UHFFFAOYSA-N	227.647	1.384	50	40	BDGB	
CCC(CC)=NNC(=O)C(=O)Nc1ccccc1	59515712	CUNNGOILAJMJAV-UHFFFAOYSA-N	247.298	1.917	50	40	BDGB	
Cc1cc(C(=O)N/N=C/c2ccccc2)[nH]n1	18240536	SLPZEVJJUKPJPA-MDWZMJQESA-N	228.255	1.482	50	40	BDGB	
COc1cc(C)c([C@H](O)C#N)cc1OC	68568819	PEGKZPBQCAZCKW-SECBINFHSA-N	207.229	1.569	50	40	BDGB	
CN1CCC[C@H]1CI	79436922	SFMBCWMRPYQHDT-LURJTMIESA-N	225.073	1.516	50	40	BDGB	
Nc1cccc(C(=O)CBr)c1	39244520	GCXPRJDKXBACNF-UHFFFAOYSA-N	214.062	1.846	50	40	BDGB	
O=NN(CCCl)C(=O)N[C@H]1CCC[C@@H](O)C1	5411226	RLVBEHFQVMKVOD-JGVFFNPUSA-N	249.698	1.222	50	40	BDGB	
COc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1	5720435	OAGQHYIEUPZSFB-OQLLNIDSSA-N	243.266	1.787	50	40	BDGB	
CO[C@@]12CC[C@H](C)CC1=C(C#N)C(C#N)=C(N)O2	96336586	SQSHGYHQEMQDEV-ISVAXAHUSA-N	245.282	1.693	50	40	BDGB	
O=C(CCl)N(Cc1ccncc1)C1CC1	37654090	VJXIGYRGRJDPOT-UHFFFAOYSA-N	224.691	1.811	50	40	BDGB	
Cc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)o1	574644	WNFGSAOVKVEEKG-DHZHZOJOSA-N	246.266	1.354	50	40	BDGB	
O=S1(=O)C[C@@H](Cl)[C@@H](/N=C/c2ccoc2)C1	5906535	BDWCKLLSYPIWKK-NFERXRQFSA-N	247.703	1.103	50	40	BDGB	
BrC[C@@H]1CN2CCSC2=N1	332957	JEEUNVXITWIQAP-RXMQYKEDSA-N	221.123	1.168	50	40	BDGB	
O=[N+]([O-])c1ccc2nc(CCl)cn2c1	44713503	FDYNXKDRPISOPZ-UHFFFAOYSA-N	211.608	1.981	50	40	BDGB	
O=C1c2ccccc2[C@@H](O)N1CCCl	81135643	BLRMQYDBTGVPNL-SECBINFHSA-N	211.648	1.372	50	40	BDGB	
OCc1cc(CBr)ccn1	199523366	ZDYZAUJCSXLJDJ-UHFFFAOYSA-N	202.051	1.469	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C/c1ccsc1	5668104	HHPGLNFYYVASMY-WEVVVXLNSA-N	206.270	1.743	50	40	BDGB	
COCCNC(=O)/C(C#N)=C\c1cccs1	4506075	ZLDJJSDUNPGEFI-CLFYSBASSA-N	236.296	1.418	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1cccnc1	227676	HWSHOKFQVBTFRP-NTEUORMPSA-N	228.255	1.184	50	40	BDGB	
CC[C@@H](C)N1CCN(CCCl)CC1	22464917	HUPOEGRZAFSFJU-SNVBAGLBSA-N	204.745	1.641	50	40	BDGB	in-vitro
COC(=O)c1nccnc1CBr	95098050	SXPHDDGASPESJM-UHFFFAOYSA-N	231.049	1.158	50	40	BDGB	
Cc1ccccc1[C@H](O)[C@H](Cl)S(C)(=O)=O	96518880	BWYUVRLNJNKNHJ-VHSXEESVSA-N	248.731	1.638	50	40	BDGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(N)=O	16940786	OERIEMCNIQZZKL-SLCPPWGYSA-N	247.254	1.473	50	40	BDGB	
NC(=O)N/N=C1/CCCCCSC1	382897	DCDCQGVZOFVVHW-YFHOEESVSA-N	201.295	1.318	50	40	BDGB	
O=C1O[C@@H]2[C@H](Br)[C@@H]3C[C@@H]1[C@H]2C3	4974525	ZFCNOHNDCYYXIK-CJZRUXIPSA-N	217.062	1.331	50	40	BDGB	
CC1=C[C@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31	104281447	SHNKPHYZJIVILY-IZOAKFFESA-N	216.236	1.310	50	40	BDGB	
COc1ccc(C(=O)CCl)c(OC)c1O	68561936	JTRIJLPSUWZVCR-UHFFFAOYSA-N	230.647	1.831	50	40	BDGB	
COc1cccc(/C=N\NC(=O)C2CC2)c1	31649144	LYGIJAWRJAONGO-JYRVWZFOSA-N	218.256	1.555	50	40	BDGB	
Br[C@@H]1CCCC12OCCO2	44831759	DXVRAPHFXNUTFE-ZCFIWIBFSA-N	207.067	1.677	50	40	BDGB	
OB(O)C1CCN(Cc2ccccc2)CC1	169991499	KVLXTDQEZFWZSW-UHFFFAOYSA-N	219.093	1.125	50	40	BDGB	
CCO/N=C1\CCC[C@@H]1SS(=O)(=O)O	5048394	VBOAULZTUATPRP-DGUDBNDOSA-N	239.318	1.467	50	40	BDGB	
C/C(=N/NC(=O)C(F)(F)F)c1ccc(O)cc1	5007277	NUFSJZWHJZPHTI-NSIKDUERSA-N	246.188	1.795	50	40	BDGB	
COc1ccc([N+](=O)[O-])cc1/C=C/C=O	1702972	QBMUNVBXMCDJGG-NSCUHMNNSA-N	207.185	1.816	50	40	BDGB	
CCN(C=C(C#N)C#N)CC(=O)C(C)(C)C	1775976596	CAPMDOZLPYDNCI-UHFFFAOYSA-N	219.288	1.855	50	40	BDGB	
CC1(C)CC(=O)C=C(NNC(=O)c2ccco2)C1	1093574	YMOZBSBKKNGWFX-UHFFFAOYSA-N	248.282	1.787	50	40	BDGB	
NNC(=O)c1cc2cccc(F)c2s1	22995857	ZKCMZYVEAQNGLD-UHFFFAOYSA-N	210.233	1.644	50	40	BDGB	
COc1cc([N+](=O)[O-])cc(C#N)c1OC(C)=O	2776023	AHSYNLHTIYLFML-UHFFFAOYSA-N	236.183	1.400	50	40	BDGB	
N#CC1=C([C]=N)C(=O)C(Cl)=C(Cl)C1=O	409415741	CQJOUJMDXFFRFI-UHFFFAOYSA-N	228.014	1.174	50	40	BDGB	
CNC(=O)c1cccc(NC(=O)CCl)c1	4218535	ZBXIJTJRTZUUBL-UHFFFAOYSA-N	226.663	1.224	50	40	BDGB	in-vitro
CC(C)(O)C(=O)N/N=C/c1ccccc1Cl	32578403	DRLXENFTFGUBMT-NTUHNPAUSA-N	240.690	1.561	50	40	BDGB	
COP(=O)(CCBr)OC	1723482	JCXIVFAMGPGRGX-UHFFFAOYSA-N	216.999	1.867	50	40	BDGB	
O=C(NNC(=O)C1CCC1)c1ccccc1F	3559860	YBIYFBFLPHGCML-UHFFFAOYSA-N	236.246	1.387	50	40	BDGB	
O=C(CC1CCCCC1)NNC(=O)c1ccc[nH]1	9749274	JLUWEBOLAAQVSD-UHFFFAOYSA-N	249.314	1.746	50	40	BDGB	
CN1CCC(=NNC(=O)c2ccc(F)cc2)CC1	59415439	JPULIMVBONSKNA-UHFFFAOYSA-N	249.289	1.637	50	40	BDGB	
O=C/C(=C\Nc1cccc(O)c1)[N+](=O)[O-]	36559001	KFMYFXHMLIUVBC-VMPITWQZSA-N	208.173	1.121	50	40	BDGB	
CC(C)CC(=O)N/N=C/c1ccc(N(C)C)o1	408994832	JTWPOXRMANYOOW-MDWZMJQESA-N	237.303	1.842	50	40	BDGB	
Nc1nc(Cl)cc(CBr)n1	137127939	LTYGAVHGNOBYSN-UHFFFAOYSA-N	222.473	1.607	50	40	BDGB	
CCOc1ccc(/C=C(\C#N)C(N)=O)cc1OC	5067901	CNSJNRHOROFOIO-UXBLZVDNSA-N	246.266	1.486	50	40	BDGB	
CC/C(C)=N\NC(=O)CC(=O)N/N=C(\C)CC	18188607	SKERPTVEPVHJKY-QRBCZBMESA-N	240.307	1.181	50	40	BDGB	
O=NN(CCF)C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2	4933997	LESTWYVGWLZSMR-YIZRAAEISA-N	229.255	1.838	50	40	BDGB	
CC(C)/C=N/NC(=O)COc1ccc(C#N)cc1	5560729	OXEUKSBRBPQBEH-OVCLIPMQSA-N	245.282	1.695	50	40	BDGB	
C[C@H]1CCCN(c2nc(N)nc(CCl)n2)C1	20153877	UDSYLYRKRKJIHL-ZETCQYMHSA-N	241.726	1.429	50	40	BDGB	
COc1ccc(NNC(=O)C(C)C)cc1	38585987	JVRNYNAMRBMTDL-UHFFFAOYSA-N	208.261	1.794	50	40	BDGB	in-vitro
O=C(N/N=C/c1ccoc1)c1ccco1	370393	HMWGHOLDJISTGX-IZZDOVSWSA-N	204.185	1.637	50	40	BDGB	
CC(C)(O)C(=O)N/N=C/c1ccc(Cl)cc1	1754316	GKMCUIMUHRHXCN-NTUHNPAUSA-N	240.690	1.561	50	40	BDGB	
CCOC(=O)c1cnc(N(C)C)nc1CCl	57341424	AAIQFFVNNPEBPQ-UHFFFAOYSA-N	243.694	1.458	50	40	BDGB	
CC(C)(C)OC(=O)NC[C@H](O)CCl	38350924	BCERVHZUVNOSNR-ZCFIWIBFSA-N	209.673	1.111	50	40	BDGB	
CCOC(=O)c1cnn(C)c1CCl	408716119	JCXVNOOFBMHSDL-UHFFFAOYSA-N	202.641	1.336	50	40	BDGB	
CC(/C=C\c1ccco1)=N/NC(=O)CC#N	17286309	JKRSRMDKSCJPSX-CVIOMZKKSA-N	217.228	1.699	50	40	BDGB	
O=C(O)COCCOCCCCCCCl	1592055857	NFVRQBNHQOLQED-UHFFFAOYSA-N	238.711	1.903	50	40	BDGB	
O=C(CCl)n1c(=O)oc2ccccc21	4697224	WRFNPIFZSMPCOT-UHFFFAOYSA-N	211.604	1.474	50	40	BDGB	
O=C1C[C@@H](/C=C\c2ccccc2)C(=O)O1	101488647	CRVRPMGEUVHZCJ-JYESYGNLSA-N	202.209	1.790	50	40	BDGB	
CCOC(=O)NNC(=O)COC1CCCCC1	44980732	VLPFZLMQSIIVPV-UHFFFAOYSA-N	244.291	1.113	50	40	BDGB	
CCN(C(=O)CCl)[C@H]1CC[C@H](N(C)C)CC1	100178308	ULESOMSADFYPCV-PHIMTYICSA-N	246.782	1.947	50	40	BDGB	
O=C1[C@@H](Br)[C@@H]2CC[C@@H]1[C@H]2C(=O)O	104146112	DAWDCUWVWJLJCU-ZXXMMSQZSA-N	233.061	1.060	50	40	BDGB	
Cc1ccc(NC(=S)NNC=O)cc1Cl	16972841	WPRPFURGTBSNMZ-UHFFFAOYSA-N	243.719	1.596	50	40	BDGB	
N#CC1=C(N)NC(S)=C(C#N)C12CCCCC2	47866	NNOKWEBNIDNRPY-UHFFFAOYSA-N	246.339	1.899	50	40	BDGB	
[C-]#[N+][C@@H](Cc1ccccc1)C(=O)NCC=C	104899273	ZFRMZJKCSJCRLK-LBPRGKRZSA-N	214.268	1.819	50	40	BDGB	
CCCC(=O)NNC(=O)c1ccccc1Cl	5857932	CSBMLTFYKAGUBI-UHFFFAOYSA-N	240.690	1.901	50	40	BDGB	
Cc1nn(C)c(C)c1CCNC=C(C#N)C#N	95948864	PZYBSAOGTAHGRD-UHFFFAOYSA-N	229.287	1.100	50	40	BDGB	
O=C(O)[C@H]1[C@@H]2C[C@@H](Cl)[C@@H]1CC21OCCO1	254411022	KLBCJXDWJFIPSO-RULNZFCNSA-N	232.663	1.078	50	40	BDGB	
NC(=O)N/N=C/Cc1c[nH]c2c1C=CCC2	4828041	DVZDYCDPKDQZLK-MKMNVTDBSA-N	218.260	1.171	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccccc1F	5816071	BYKDIYKOSIUTOE-OQLLNIDSSA-N	245.257	1.928	50	40	BDGB	
CC(C)(C)[C@@H](Br)CC(N)=O	1599856	AWVMEYUARNWQFD-YFKPBYRVSA-N	208.099	1.671	50	40	BDGB	
CC(=O)N/N=C1\C(=O)Nc2ccc(C(C)C)cc21	7946717	HDABUBIDNYWJEI-UHFFFAOYSA-N	245.282	1.602	50	40	BDGB	
CC(C)N(C)[C@@H]1CCCC[C@H]1NC(=O)CCl	101676876	KFRQHTJCURFRJF-GHMZBOCLSA-N	246.782	1.993	50	40	BDGB	
CC(=O)c1sc(NC(=O)CCl)nc1C	2635410	HBVMMWIEJRQDOO-UHFFFAOYSA-N	232.692	1.831	50	40	BDGB	
CCOC(=O)NNC(=O)c1cccs1	6451743	FZGHHXFEQNOWPW-UHFFFAOYSA-N	214.246	1.139	50	40	BDGB	
O=C(CCl)NC(=O)NCc1ccccc1	519999	DXDRCKQAPGXXHW-UHFFFAOYSA-N	226.663	1.251	50	40	BDGB	in-vitro
CC(=O)O[C@H](CSC#N)SC#N	3187399	LVBJPMDHKYKCEM-LURJTMIESA-N	202.260	1.304	50	40	BDGB	
N#C[C@H](C(=O)CCl)c1nc2ccccc2[nH]1	507300	ANPUKQWTWOKPNF-SSDOTTSWSA-N	233.658	1.978	50	40	BDGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@@H]3O[C@H]3C2)O1	100934422	NBDKOJSGJIGOBM-SQQIUAQRSA-N	218.680	1.534	50	40	BDGB	
O[C@H](CBr)COCc1ccccc1	72099146	VWASIEISPISOIQ-SNVBAGLBSA-N	245.116	1.959	50	40	BDGB	in-vitro
CCN(C(C)=O)[C@@H]1CCCN(C(=O)CCl)C1	83320870	QQHXQYSDCHABOT-SNVBAGLBSA-N	246.738	1.085	50	40	BDGB	
C[C@H]1CCCN(S(=O)(=O)CCl)C1	82511971	NPFWEORWEZMNLH-ZETCQYMHSA-N	211.714	1.244	50	40	BDGB	
O=C(Cl)c1cnc(C(=O)Cl)cn1	100802420	FAVVTWGBRTWHGH-UHFFFAOYSA-N	205.000	1.235	50	40	BDGB	
O=C(CCl)Nc1nnc([C@H]2CCCO2)o1	57218528	DCVMRUJYKDAOHJ-RXMQYKEDSA-N	231.639	1.098	50	40	BDGB	in-vitro
N#CC(C#N)=C(N)/C(C#N)=C\c1ccoc1	101344634	FZKFZSGJGICKFN-OQFOIZHKSA-N	210.196	1.447	50	40	BDGB	
COC(=O)c1ccc(O)c(C(=O)CCl)c1	11999645	FHGKMSMDJAMGJM-UHFFFAOYSA-N	228.631	1.600	50	40	BDGB	
CC(C)N(C)C[C@H]1CCCN(C(=O)CCl)C1	79419165	VLZFKBYBJPBSSR-LLVKDONJSA-N	246.782	1.804	50	40	BDGB	
Cc1ccc(C)n1-c1ccc(C(=O)NN)cc1	83842	HJLBBIMOIDHHIB-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
CO/C(N)=C(C#N)\N=C/c1cccs1	104314208	VBRVHHPCSYPPGE-GNXJPQOPSA-N	207.258	1.465	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1c(C)nn(CC)c1C	8782562	QMJAHZNOUWZYII-XFFZJAGNSA-N	247.298	1.990	50	40	BDGB	
N#CC(C#N)=Cc1cc([N+](=O)[O-])ccc1O	59458962	RIZMGLBITJMRAH-UHFFFAOYSA-N	215.168	1.731	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccc(O)cc1	408719351	CDKCHVZEXCXGOF-MDWZMJQESA-N	217.228	1.146	50	40	BDGB	
O=C1[C@@H]2[C@H]3[C@@H](Br)[C@@H]4[C@H]1[C@H]1C[C@@H]4[C@@H]3[C@H]21	245263907	BMBLHKXXRVKSGM-BZTOHAEWSA-N	239.112	1.707	50	40	BDGB	
CNC(=S)NNC(=O)c1cc2ccccc2o1	9263644	VNBAQYJMWZZZNA-UHFFFAOYSA-N	249.295	1.172	50	40	BDGB	
N/C(=N\OC(=O)CCl)c1cccs1	4204672	OQXNURSNFIANFU-UHFFFAOYSA-N	218.665	1.150	50	40	BDGB	
O=C(CO)N/N=C/c1c(Cl)cccc1Cl	18194011	WFFYHUPYSNNENU-UUILKARUSA-N	247.081	1.436	50	40	BDGB	
O=S1(=O)C[C@@H](Cl)[C@H](c2ccccc2)C1	217423246	IWUFLETVBZLURO-VHSXEESVSA-N	230.716	1.806	50	40	BDGB	
O=C(CCl)Nc1ccc(Cl)nc1	43830433	VUQMYCQQSVGTDB-UHFFFAOYSA-N	205.044	1.912	50	40	BDGB	in-vitro
N#CC(C#N)=C(N)/C(C#N)=C/c1ccco1	802609	IIVGSTDHUQZEFZ-XBXARRHUSA-N	210.196	1.447	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccc(N)cc1	4579651	ATKVNIKUZLGXQD-RIYZIHGNSA-N	217.272	1.519	50	40	BDGB	
C[C@@H](Cl)C(=O)NCCn1cccc1	41709536	HDMJMZYNGVAGMT-MRVPVSSYSA-N	200.669	1.232	50	40	BDGB	
NNC(=O)Oc1cccc2ccccc12	1768830	QFRRVKZFEPZNPH-UHFFFAOYSA-N	202.213	1.802	50	40	BDGB	
C[C@H]1CN[C@H](c2ccccc2)[C@H](C)[C@]1(O)C#N	100287152	WYWIMOATJMGNNL-IMIFBBOLSA-N	230.311	1.858	50	40	BDGB	
O=C(N/N=C/Cc1ccccc1)C1CC1	4113246	CFGFHPMYQQOZNW-UKTHLTGXSA-N	202.257	1.741	50	40	BDGB	
Cc1cc(C(=O)CCl)c(C)n1CC(N)=O	4207105	JLKLWXKKPVIWCQ-UHFFFAOYSA-N	228.679	1.012	50	40	BDGB	in-vitro
NCCC(=O)N/N=C/c1cccc2cccnc12	5100114	UCPVVPGFUHXYSU-CXUHLZMHSA-N	242.282	1.034	50	40	BDGB	
Cc1cccc2cc(C(=O)NN)cnc12	68135193	WRKMTQWMURWHNB-UHFFFAOYSA-N	201.229	1.147	50	40	BDGB	
CC(C)N(C)C[C@@H]1CCN(C(=O)CCl)C1	79419134	DMJDWZJUYXKBAT-JTQLQIEISA-N	232.755	1.414	50	40	BDGB	
C/N=C1/SCCN1CCBr	5382409	DOIGUSQVQDKRKP-SOFGYWHQSA-N	223.139	1.416	50	40	BDGB	
Cc1cccc(NC(=O)/C(C#N)=C\N(C)C)c1	57352086	HDPNFKQVHDLYFA-LUAWRHEFSA-N	229.283	1.903	50	40	BDGB	
C[C@@H](C=NNC=O)OCc1ccccc1	308706260	KSVAVOFBEXSSNM-JTQLQIEISA-N	206.245	1.324	50	40	BDGB	
O=C(N/N=C\c1ccc[nH]1)c1ccccc1	96609479	DZJKGHIDQIMCMH-ZROIWOOFSA-N	213.240	1.779	50	40	BDGB	
COc1ccc(-c2ccc(C(=O)NN)cc2)cc1	1257001	GUXNRVLONIIENS-UHFFFAOYSA-N	242.278	1.966	50	40	BDGB	
CC(C)(C)OC(=O)NNC(=O)C1CCC1	58095573	AQWPDKODVWOMIC-UHFFFAOYSA-N	214.265	1.342	50	40	BDGB	
O=NN(CCF)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2	100432643	LESTWYVGWLZSMR-CIUDSAMLSA-N	229.255	1.838	50	40	BDGB	
CC(C)(C)C(=O)NNC(=O)c1ccccc1O	11639097	SHRYRXFUVNQTOS-UHFFFAOYSA-N	236.271	1.199	50	40	BDGB	
Cn1cccc1C(=O)NNc1ccccc1	120447653	DYNVFYGZNCZJBG-UHFFFAOYSA-N	215.256	1.782	50	40	BDGB	
CC1(C)CC(=O)[C@H]2C(CCCl)=NN[C@@H]2C1	228923852	FZSPQGBUUKBNQV-SCZZXKLOSA-N	228.723	1.948	50	40	BDGB	
C[C@H]1CCC[C@@H](C)N1NC(=O)NCCCl	12402950	NLEASRWRTNQMEE-DTORHVGOSA-N	233.743	1.702	50	40	BDGB	
CCOc1ccccc1/C=C(\C#N)C(N)=O	143923	GTVCQYRQARFCIP-JXMROGBWSA-N	216.240	1.478	50	40	BDGB	in-vitro
CC(C)CC(=O)N/N=C/c1ccc(O)cc1	369751	STEYQFYJMROYRT-MDWZMJQESA-N	220.272	1.888	50	40	BDGB	
CN(C)c1ccc([C@@H]2NC[C@@H](CCl)O2)cc1	36097602	AGJRWWYVQQFNKV-VXGBXAGGSA-N	240.734	1.978	50	40	BDGB	
O=C(CCl)N(Cc1cnccn1)C1CC1	79422424	UVZKTDMYCSTHEZ-UHFFFAOYSA-N	225.679	1.206	50	40	BDGB	
O=C1CC[C@@H](I)C1	85210509	APMGHATZDKMABH-SCSAIBSYSA-N	210.014	1.543	50	40	BDGB	in-vitro
O=[P@@](O)(CCCl)OCCCl	97978497	NLAFDAIUYHCRGU-UHFFFAOYSA-N	206.993	1.666	50	40	BDGB	in-vitro
CC(C)COc1ccccc1/C=N\NC(N)=O	169974166	BXXSCOBJQQUWLH-AUWJEWJLSA-N	235.287	1.724	50	40	BDGB	
COC(=O)/C(C#N)=C\Nc1ccsn1	12417246	UDQJGJGBBAFSHI-WAYWQWQTSA-N	209.230	1.135	50	40	BDGB	
C/C(=N\NC(N)=O)[C@H]1CCc2ccccc2C1	17162543	OSAGCSVVFPJEPD-ZRRZQRFHSA-N	231.299	1.836	50	40	BDGB	
O=C(/C=C/C(=O)OCCCl)OCCCl	4403805	NUZFFMJRNXNVCA-OWOJBTEDSA-N	241.070	1.107	50	40	BDGB	
C/C=N/NC(=O)COc1cccc(C)c1	6295513	VWUMHSJHMMYMPG-KGVSQERTSA-N	206.245	1.496	50	40	BDGB	
ClCc1nc(-c2noc(CCl)n2)no1	2565206	KDOAVZCXUFQSTD-UHFFFAOYSA-N	235.030	1.597	50	40	BDGB	
Cc1n[nH]c2c1[C@H](c1ccoc1)C(C#N)=C(N)N2	809312	LJQGBSXGPPWDTF-SNVBAGLBSA-N	241.254	1.562	50	40	BDGB	
N#CC1=C(C#N)C(=O)c2ccccc2C1=O	1728850	KIAJWKWOKTWTIZ-UHFFFAOYSA-N	208.176	1.409	50	40	BDGB	
O=C(N/N=C/c1ccccn1)c1ccccc1F	4118752	GINFVHSDXVEMLL-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
Cc1ccccc1CSCCC(=O)NN	16970832	GBSRONYPDUZGMZ-UHFFFAOYSA-N	224.329	1.608	50	40	BDGB	
C/C(=N\NC(=O)c1ccco1)c1ccncc1	4951465	ZMRUSCLNKCNVOK-NTEUORMPSA-N	229.239	1.829	50	40	BDGB	
C[N+](C)(C)NC(=O)c1cccc(Cl)c1	5360044	ICFVKYNABOELLU-UHFFFAOYSA-O	213.688	1.691	50	40	BDGB	
CSC(=O)N[C@H](C)CBr	5532183	OKYBXDDKKSULDP-SCSAIBSYSA-N	212.112	1.842	50	40	BDGB	
CCCCC[C@H](O)C[C@H](CC)C(=O)NN	2227598	DZQOUXPZELJEIX-UWVGGRQHSA-N	216.325	1.334	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1ccccc1F	11638425	RTGUKZIRJHNOKM-UHFFFAOYSA-N	224.235	1.243	50	40	BDGB	
C[C@H]1CN(C(=O)CCl)[C@@H](C)CC1=O	72433993	XYSFKXFNBIMWCN-BQBZGAKWSA-N	203.669	1.051	50	40	BDGB	
CN(Cc1ccc(C#N)cc1)C(=O)CCl	37830458	IXCSQBGUMQBFSM-UHFFFAOYSA-N	222.675	1.755	50	40	BDGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(N)=S	46354	NEFUCWKDPIMXTJ-VMPITWQZSA-N	233.252	1.788	50	40	BDGB	
NNC(=O)C[C@@H](c1ccccc1)c1ccco1	12322569	CRKHHOVJZLGLFN-NSHDSACASA-N	230.267	1.792	50	40	BDGB	
O=C(O)C1C[C@@H](Cl)C(O)[C@H](Cl)C1	1578659	JNUHWTZADSDQNU-WATOWXBHSA-N	213.060	1.057	50	40	BDGB	
N#CC1=C[C@@H](c2ccccc2)[C@H]2OC(=O)N[C@H]2O1	4267597	PEJFPXVYSOHJBX-TUAOUCFPSA-N	242.234	1.642	50	40	BDGB	
CC/C(=N\NC(=O)NN)c1ccc(Cl)cc1	4921152	XNNYICUBCYIJPG-NTEUORMPSA-N	240.694	1.627	50	40	BDGB	
CCCCCCCC(=O)NNC(=O)CC(C)=O	100950691	OXCSHZMJHPENTN-UHFFFAOYSA-N	242.319	1.473	50	40	BDGB	
Cn1cc(CCCC(=O)NN)c2ccccc21	4054186	QMARNJPHNKGNJQ-UHFFFAOYSA-N	231.299	1.491	50	40	BDGB	
CCN(C(=O)CCl)C1CCC(N(C)C)CC1	79406583	ULESOMSADFYPCV-UHFFFAOYSA-N	246.782	1.947	50	40	BDGB	
CC1CC(NC(=O)CBr)C1	85396222	NPOVLXGJPRXGEC-UHFFFAOYSA-N	206.083	1.296	50	40	BDGB	
O=C(Cl)[C@H]1CC(=O)N(Cc2ccco2)C1	45952333	OASUVEDDTKLPJI-ZETCQYMHSA-N	227.647	1.394	50	40	BDGB	
CNC(=O)NNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	56375622	VOBLIKYXCHZHLI-BDAKNGLRSA-N	239.319	1.185	50	40	BDGB	
COCCCNC(=O)/C(C#N)=C/c1ccco1	7165259	DGCSUOPDFKLYTD-CSKARUKUSA-N	234.255	1.339	50	40	BDGB	
C[C@]1(CCl)CN1S(=O)(=O)c1ccccc1	4190316	RUAPLDLQHBIJCW-NUHJPDEHSA-N	245.731	1.688	50	40	BDGB	
CC(C)(O)C(=O)N/N=C/c1cccc(F)c1	32578420	SUOHYHSJDFRBJB-NTUHNPAUSA-N	224.235	1.047	50	40	BDGB	
O=C(OCCCl)[C@H]1C[C@@H]2C=C[C@@H]1C2	104106332	FWONCFOUESAYJK-HLTSFMKQSA-N	200.665	1.981	50	40	BDGB	
CC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	6313121	VSIKBQJQKSRUAD-RZYXTZOYSA-N	233.227	1.730	50	40	BDGB	
CC(C)N(C)CC1CCN(C(=O)CCl)CC1	37834506	UCYSTGBBBUUPBZ-UHFFFAOYSA-N	246.782	1.804	50	40	BDGB	
CCOC(=O)c1cnn(C)c1CBr	379299396	BWRLHBUPDPHAQT-UHFFFAOYSA-N	247.092	1.492	50	40	BDGB	
Cc1cccc(/C=N/NC(=O)c2cccnc2)n1	262786	ORKWDCPTULAZJU-OQLLNIDSSA-N	240.266	1.549	50	40	BDGB	
CCC[C@@H](CC/C(C)=N\NC(N)=O)[N+](=O)[O-]	17158047	XWQLHAHPXYWCBK-CLUBXZQOSA-N	230.268	1.256	50	40	BDGB	
COc1cccc(OC)c1C(=O)NCCCl	19783014	FCXMXXBGGJIXGT-UHFFFAOYSA-N	243.690	1.672	50	40	BDGB	
COc1ccc(C(=O)NCCCl)cc1OC	1621662	ZSMCHRBRZLBBBE-UHFFFAOYSA-N	243.690	1.672	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3CC[C@H]4C3)[C@@H]12	104292916	WKFRPTFLKPBUEG-GGYFDKARSA-N	230.263	1.678	50	40	BDGB	
CCc1sc(/C=N\NC(N)=O)cc1[N+](=O)[O-]	12413140	XVQPTPYFSBYFPH-WMZJFQQLSA-N	242.260	1.221	50	40	BDGB	
Cc1ccc(C)n1-c1ccsc1C(=O)NN	140738	OJPXCOCLYNNCHS-UHFFFAOYSA-N	235.312	1.759	50	40	BDGB	
CO[C@H](NC(=O)C(C)(C)C)C(Cl)Cl	3109712	KSCIVDJITIKPBO-LURJTMIESA-N	228.119	1.925	50	40	BDGB	
O=S1(=O)NC(CCl)=Nc2ccccc21	6757364	HDQKKKAMYKMSCL-UHFFFAOYSA-N	230.676	1.247	50	40	BDGB	in-vitro
CC(=O)Oc1ccc([C@@H]2CC(=O)OC2=O)cc1	100227418	ABMHHGRAKIODFS-JTQLQIEISA-N	234.207	1.169	50	40	BDGB	
CCOc1ccccc1/C=N\NC(C)=O	35179375	FRIKHORRUSLZNA-WQLSENKSSA-N	206.245	1.555	50	40	BDGB	
NNC(=O)/C=C/c1ccc(-c2ccccc2)o1	45946552	CSIVFTGBLWMVPV-VQHVLOKHSA-N	228.251	1.950	50	40	BDGB	
[C-]#[N+][C@]1(C(=O)OC)Cc2ccc(OC)cc2C1	575419804	ZNNNRGQZEDDNFI-CYBMUJFWSA-N	231.251	1.625	50	40	BDGB	
O=C(N/N=C/C=C\c1ccco1)c1cnccn1	12374866	LYJQREZLYZWSAY-NPZZWLMNSA-N	242.238	1.499	50	40	BDGB	
CCC(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2	102245957	VPLCFEDHFNEKQI-IWSPIJDZSA-N	241.360	1.080	50	40	BDGB	
CCOC(=O)N1CCC(N=C=S)CC1	19509046	LKKAWMNEPUOSKW-UHFFFAOYSA-N	214.290	1.710	50	40	BDGB	
CC(=O)NCc1ccc(C(=O)CCl)s1	4205617	BBDWEMUVRXBMRC-UHFFFAOYSA-N	231.704	1.806	50	40	BDGB	in-vitro
CCCCn1c(CCOC)ccc1C(=O)NN	226030611	PJULUSQITWOJHF-UHFFFAOYSA-N	239.319	1.081	50	40	BDGB	
[O-][n+]1ccc(-c2noc(CCl)n2)cc1	96032031	KXAMYYKRSFDXRI-UHFFFAOYSA-N	211.608	1.109	50	40	BDGB	
COc1ccc(/C=C(/C#N)C(N)=S)cc1O	12371153	HOBLIVBWLVPRTR-YWEYNIOJSA-N	234.280	1.594	50	40	BDGB	
Cc1cc(N)nc(NNC(=O)c2cccs2)n1	225559657	LAANZPATNCIKRJ-UHFFFAOYSA-N	249.299	1.186	50	40	BDGB	
Cc1cc(NCC(=O)NN)ccc1Cl	1732050	KZDKWSZGEGWOFZ-UHFFFAOYSA-N	213.668	1.050	50	40	BDGB	
O=C1CC(c2ccccc2F)CC(=O)O1	100494498	KZOKONCMKFSOCD-UHFFFAOYSA-N	208.188	1.773	50	40	BDGB	
COc1ccc(/C=N/NC(=O)C2CC2)cc1	511159	GJQCFXJKNXPVBA-MDWZMJQESA-N	218.256	1.555	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1ccc(N2CCCC2)o1	5007653	RMRUSIUHCYATCX-NTMALXAHSA-N	245.282	1.533	50	40	BDGB	
C/C(=N/NC(N)=O)[C@H]1CCc2ccccc2C1	5539116	OSAGCSVVFPJEPD-GPILYODUSA-N	231.299	1.836	50	40	BDGB	
O=C1N[C@@H](c2ccccc2Cl)C(=O)O1	1772714754	QNRFCTBXSLWGDB-ZETCQYMHSA-N	211.604	1.648	50	40	BDGB	
C=CCOC(=O)[C@@H](Br)CC	4411352	YODSFICKWRHBKQ-LURJTMIESA-N	207.067	1.889	50	40	BDGB	
C/C(=N/NC(N)=O)c1ccc(Cl)cc1	13140238	NRVQPAZCFBJKNE-SDQBBNPISA-N	211.652	1.732	50	40	BDGB	
CC(C)(C)[Si](C)(C)OC1CN(N)C1	206346521	ZXEDMBBPEGLUJO-UHFFFAOYSA-N	202.374	1.566	50	40	BDGB	
CNC(=O)[C@@H](Br)c1ccccc1	2535727	FIXINOVVDGQNIZ-QMMMGPOBSA-N	228.089	1.869	50	40	BDGB	
C=CCOc1ccc(C(=O)NNC(C)=O)cc1	8555216	BGUMJEWMZVFHKR-UHFFFAOYSA-N	234.255	1.032	50	40	BDGB	
C[C@@H]1CCCN(c2nc(N)nc(CCl)n2)C1	20153875	UDSYLYRKRKJIHL-SSDOTTSWSA-N	241.726	1.429	50	40	BDGB	
O=C1Nc2ccccc2C[C@H]1Br	39951983	RZBZJWOYASHRDC-SSDOTTSWSA-N	226.073	1.945	50	40	BDGB	
COc1ccc(N2C(=O)C[C@H](Cl)C2=O)cc1	5217584	UKFITXSLZKBHSN-VIFPVBQESA-N	239.658	1.566	50	40	BDGB	
O=C(CCl)NCC(=O)Nc1ccc(F)cc1	2647732	UZSRNTBWIRQBJF-UHFFFAOYSA-N	244.653	1.119	50	40	BDGB	
CC(=O)NN(C/C=C\Cl)C/C=C\Cl	4933682	DZPCAYHHIHMLNR-JVLMNHKTSA-N	223.103	1.845	50	40	BDGB	
O=C(Cc1cccs1)N/N=C\c1ccccn1	5010160	DOQVAEMFMGLFKS-ZROIWOOFSA-N	245.307	1.836	50	40	BDGB	
COc1ccc(CBr)c(OC)n1	85210437	CGZARUONTNTXET-UHFFFAOYSA-N	232.077	1.994	50	40	BDGB	
O=C(CCl)Nc1cc(F)ccc1O	13609022	GHCHWYRKAGECKE-UHFFFAOYSA-N	203.600	1.709	50	40	BDGB	
CC[C@@H](C)[C@@H](NC(=O)C(Cl)Cl)C(=O)O	1608642	RWSLEAKLDZVALS-RFZPGFLSSA-N	242.102	1.406	50	40	BDGB	
O=C(CCl)OC[C@@H]1C[C@H]2C=C[C@@H]1C2	1676805	YEQPPBCBKNMCKW-YIZRAAEISA-N	200.665	1.981	50	40	BDGB	
CC(=O)O[C@@H](Br)CBr	2014677	UXPDRIMBYCEVCO-SCSAIBSYSA-N	245.898	1.665	50	40	BDGB	
O=C(CCl)Nc1ccc2[nH]c(=O)[nH]c2c1	847545	NABDJTSSZGWKLV-UHFFFAOYSA-N	225.635	1.034	50	40	BDGB	in-vitro
N#CC1=C(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1	6828410	WGRWMSWZTMLTPX-UHFFFAOYSA-N	247.214	1.009	50	40	BDGB	
CC(=O)N/N=C(\C)[C@@H]1COc2ccccc2O1	4812642	DDNTYJQUXYLCFF-OXBCTQFSSA-N	234.255	1.338	50	40	BDGB	
O=C(CCl)N(Cc1ccccn1)C1CC1	37654081	XTJXHHCSLFYBGZ-UHFFFAOYSA-N	224.691	1.811	50	40	BDGB	
COc1ccc(/C(C)=N/NC(N)=O)cc1Cl	80324604	JIMFZGIFVOGRHS-AWNIVKPZSA-N	241.678	1.741	50	40	BDGB	
CC1(C)CC(=O)[C@@H]2C(CCCl)=NN[C@H]2C1	228923861	FZSPQGBUUKBNQV-WCBMZHEXSA-N	228.723	1.948	50	40	BDGB	
COc1ccc(Cn2cccc2C(=O)NN)cc1	19802957	CXWDOQAKIBEUAF-UHFFFAOYSA-N	245.282	1.149	50	40	BDGB	
N#CC1=C(N)CCP(c2ccccc2)C1	5120853	ITLIZVVJVNRIIR-UHFFFAOYSA-N	216.224	1.934	50	40	BDGB	
C/C(CCCC(C)(C)C(=O)O)=N\NC(N)=O	16952637	HRABMMNMWMJDBA-KPKJPENVSA-N	229.280	1.312	50	40	BDGB	
COc1ccc(CN(C)C(=O)CCl)cc1	4200481	RLSMTAIXCJTUHH-UHFFFAOYSA-N	227.691	1.892	50	40	BDGB	in-vitro
C[C@H](c1ccccc1)n1cncc1C(=O)NN	215124035	IPAXXCZNBPICEG-SECBINFHSA-N	230.271	1.096	50	40	BDGB	
COC(=O)N/N=C\c1c[nH]c2ccccc12	33248342	HJTGOKSDGKNLEY-QPEQYQDCSA-N	217.228	1.858	50	40	BDGB	
CCOc1ccccc1-n1cccc1C(=O)NN	223736862	VGAYZNPVANCFPA-UHFFFAOYSA-N	245.282	1.480	50	40	BDGB	
CCOc1ccc(C[C@@H]2NC(=O)OC2=O)cc1	1772714940	HMFOFIWDTSXODN-JTQLQIEISA-N	235.239	1.263	50	40	BDGB	
CN(C(=O)CCl)C1(C#N)CCCCC1	2647734	YPOMFQWTQAGNFS-UHFFFAOYSA-N	214.696	1.910	50	40	BDGB	
N#CC1(CBr)CCOCC1	205114278	BODZWWWBFVYZBR-UHFFFAOYSA-N	204.067	1.702	50	40	BDGB	
CCCCN1C[C@@H](Br)C(=O)NC1=O	5552149	ZFJCGVGFWCJVBW-ZCFIWIBFSA-N	249.108	1.102	50	40	BDGB	
NC(=O)N/N=C1\CCCC[C@H](O)CCC1	4664679	MQIDDBHEKYCZRP-KWINOFQJSA-N	213.281	1.116	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	4705366	YGBVHIMSHVQXRW-BJMVGYQFSA-N	244.250	1.410	50	40	BDGB	
COc1ccnc(NNC(=O)c2ccccc2)n1	48448856	DBJGGAMCNLDMMI-UHFFFAOYSA-N	244.254	1.242	50	40	BDGB	
COc1ccc(C(=O)NN)cc1COC(C)C	224420891	STEBQDQOAGQTCS-UHFFFAOYSA-N	238.287	1.224	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccccc1	96518909	UGIJGOSTAMHYHN-NXEZZACHSA-N	248.731	1.720	50	40	BDGB	
COc1cccc(/C=N/NC(=O)C2CC2)c1OC	3475089	MYKNNWAHDIVVEC-RIYZIHGNSA-N	248.282	1.564	50	40	BDGB	
CC(C)NNC(=O)C(C)(C)Oc1ccccc1	35653708	HJMLRRHHRNUDIA-UHFFFAOYSA-N	236.315	1.873	50	40	BDGB	
C/C=C(\C)C(=O)N/N=C\c1ccc(O)cc1O	104214007	OUYUXAASAYULAM-FCZHRLIBSA-N	234.255	1.514	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)Nc1ccc(F)cc1	29763458	VFNBJZDUYCFFLY-CMDGGOBGSA-N	233.246	1.733	50	40	BDGB	
O=C1N[C@@H](c2c(F)cccc2F)C(=O)O1	1772714903	CJRZQZGKKBOSQG-ZETCQYMHSA-N	213.139	1.272	50	40	BDGB	
CCOC(=O)/C(C#N)=C(/S)SC	100207627	XMNDOEYOBXFILM-ALCCZGGFSA-N	203.288	1.577	50	40	BDGB	
COc1ccc(C[C@@H]2CC(=O)OC2=O)cc1	104335054	FRSALURJHLOYCY-SECBINFHSA-N	220.224	1.327	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1cccnc1	59333465	QDANYEQFORKTDP-POHAHGRESA-N	201.229	1.077	50	40	BDGB	
O=C1COc2cc(CBr)ccc2N1	228941559	FLYMUJAIVTXJTP-UHFFFAOYSA-N	242.072	1.912	50	40	BDGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2OCCC[C@H]21	226340313	VGTJSJZCANETMB-HOSYDEDBSA-N	237.255	1.356	50	40	BDGB	
C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(F)cc1	12623032	VYFXJZDLUYQMMK-OIBJUYFYSA-N	236.246	1.243	50	40	BDGB	
CCC/C=N/NC(=O)[C@@H]1COc2ccccc2O1	5455206	SSRDVEFVKBLXQR-ACLQVGRQSA-N	248.282	1.729	50	40	BDGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CC1	102596533	UIPNVDQIFDBWAD-QYOWDGANSA-N	206.289	1.935	50	40	BDGB	
O=[P@]1(CCBr)NCCCO1	104212996	UPOIQLNLPQJYHT-JTQLQIEISA-N	228.026	1.584	50	40	BDGB	
C[C@H](Br)C(=O)NC1CCOCC1	72207546	AWYDMQVLLXNFMT-LURJTMIESA-N	236.109	1.065	50	40	BDGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)[nH]1	12341432	COIHLOLDPOGTGE-IZZDOVSWSA-N	229.283	1.817	50	40	BDGB	
CC(=O)/C(C#N)=C1\Nc2ccccc2N1C	12408960	QMZKRDICJCUPOI-FMIVXFBMSA-N	213.240	1.872	50	40	BDGB	
COC(=O)CC[C@@H]1CCCC/C1=N/NC(N)=O	100282592	DBLLXRVFGAJZKL-PHAVJPBESA-N	241.291	1.154	50	40	BDGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1OC(C)=O	1714476	NLAIMNFOYOGBPN-UHFFFAOYSA-N	239.183	1.445	50	40	BDGB	
C/C(=N\NC(=O)/C=C\C(=O)O)c1ccccc1	100926839	AAOBFDRILPWRPX-XTYDYKDCSA-N	232.239	1.168	50	40	BDGB	
Cc1ccc(N2C[C@@H](N=C=O)CC2=O)cc1C	19732479	NJCMBVVLWSFYAR-NSHDSACASA-N	230.267	1.745	50	40	BDGB	
CS(=O)(=O)[C@H](Cl)[C@H](O)c1ccccc1	96518828	CWBNAKJPRGFNKX-BDAKNGLRSA-N	234.704	1.330	50	40	BDGB	
C=CCOc1ccc(/C=C(\C#N)C(N)=O)cc1	3570175	LUQDYYOLSMSSJR-DHZHZOJOSA-N	228.251	1.644	50	40	BDGB	
C[P@](=O)(CCl)CSC(=N)N	4486541	VYFBESWXWCYMJP-VIFPVBQESA-N	200.631	1.760	50	40	BDGB	
COC(=O)C1(C)COP(=O)(Cl)OC1	100389456	AAIPECOOOAUIQK-UHFFFAOYSA-N	228.568	1.559	50	40	BDGB	
O=C(NNC(=O)c1ccccn1)c1ccccc1	1581253	SMNVYDVFDKEASB-UHFFFAOYSA-N	241.250	1.156	50	40	BDGB	
Cc1n[nH]c2c1[C@H](C(C)C)C(C#N)=C(N)O2	6498620	PLRSBOAHFFFGNK-MRVPVSSYSA-N	218.260	1.544	50	40	BDGB	
CCCN(CCC)Cc1ccc(C(=O)NN)o1	64873626	RSVHPVDBSGRUFI-UHFFFAOYSA-N	239.319	1.505	50	40	BDGB	
C/C(=N\NC(=O)c1cc(O)ccc1O)C1CC1	16971674	ALZXBCCFXFTBJY-NTUHNPAUSA-N	234.255	1.614	50	40	BDGB	
O=C(O)[C@H](Br)[C@@H](O)c1ccccc1	1614500	PNZTVDQYHQRHKB-SFYZADRCSA-N	245.072	1.568	50	40	BDGB	
CN(CCCNC(=O)CCl)c1ccccc1	3888993	AEUAIXFPKDVVFQ-UHFFFAOYSA-N	240.734	1.868	50	40	BDGB	in-vitro
C[N+](C)(C)c1ccc(SS(=O)(=O)O)cc1	2250761	PFOVDGGKNCQSQZ-UHFFFAOYSA-O	248.349	1.778	50	40	BDGB	
CC(C)CCNC(=S)NNC(=O)[C@H]1C[C@H]1C	58073557	LPGCERCAUQQOPA-BDAKNGLRSA-N	243.376	1.184	50	40	BDGB	
COc1cc(NC(=O)CCl)cc([N+](=O)[O-])c1	22638115	KTCKXGYYBWCATN-UHFFFAOYSA-N	244.634	1.781	50	40	BDGB	
CN1[C@@H]2CC[C@@H]1CC(OC(=O)CCCl)C2	100764969	YJHIXVZNCIVBIO-RKDXNWHRSA-N	231.723	1.784	50	40	BDGB	
CNC(=O)NC(=O)[C@@H](Cl)c1ccccc1	2647828	KGYZFBRNTLBLLA-QMMMGPOBSA-N	226.663	1.422	50	40	BDGB	in-vitro
Cc1cc(C(=O)N/N=C/c2ccccc2O)no1	13321307	IJZNNHQATLZGJP-NTUHNPAUSA-N	245.238	1.453	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(C#N)cc1	31687318	RIHIYMUBSYEENE-JYRVWZFOSA-N	217.228	1.638	50	40	BDGB	
IC[C@@H]1CCNC1	72194505	BPDMVPHOJCZZRF-YFKPBYRVSA-N	211.046	1.031	50	40	BDGB	
COc1ccc(C(=O)NN)cc1-n1cccc1	226244764	QPAFKWHIXXJRES-UHFFFAOYSA-N	231.255	1.089	50	40	BDGB	
Cc1ccccc1[C@@H](O)[C@@H](Cl)S(C)(=O)=O	96518883	BWYUVRLNJNKNHJ-ZJUUUORDSA-N	248.731	1.638	50	40	BDGB	
O=COC[C@@H](Br)C(F)(F)F	1083809182	UPNGXFPGEXRUFO-GSVOUGTGSA-N	220.972	1.485	50	40	BDGB	
CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](C)CC1	97374054	LUSCYPVJGKJKGA-NSHDSACASA-N	257.334	0.043	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccco1	3163433	NGOJEVXCFSKOPR-KPKJPENVSA-N	203.201	1.372	50	40	BDGB	
CCCC(=O)NNC(=O)c1cccc(Cl)c1	5857917	BTUDCRSXRUWKQY-UHFFFAOYSA-N	240.690	1.901	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(C(=O)O)cc1	31687234	WZKXYWHCCNIXPN-GHXNOFRVSA-N	236.227	1.465	50	40	BDGB	
CC(C)N(C)C[C@H]1CCN(C(=O)CCl)C1	79419136	DMJDWZJUYXKBAT-SNVBAGLBSA-N	232.755	1.414	50	40	BDGB	
CC1(C)[C@H]2CCC/C(=N\NC(N)=O)[C@@H]1C2	43762136	CCBIPOQAEMMFRA-NQJWWLFLSA-N	209.293	1.857	50	40	BDGB	
COC(=O)NNC(=O)/C=C/c1ccc(F)cc1	1803490	PRVHHDNFJGQETN-QPJJXVBHSA-N	238.218	1.226	50	40	BDGB	
Cc1ccc(OCC(=O)NN(C)C(C)C)cc1	35653722	KWKZCYUOXXQONV-UHFFFAOYSA-N	236.315	1.745	50	40	BDGB	
C/C(=N\NC(N)=O)c1ccc2ccccc2c1O	102948608	BIVUFMIWJBRJPW-OVCLIPMQSA-N	243.266	1.938	50	40	BDGB	
CN(C)NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C	100920561	ZOWUKHDWXBXXHT-CHWSQXEVSA-N	238.331	1.365	50	40	BDGB	
C[C@H](Br)CN1CCOCC1	31938783	PUGQTDIXUKUSJO-ZETCQYMHSA-N	208.099	1.102	50	40	BDGB	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(O)C#N	97972451	IDLYALOFRASWPG-BXKDBHETSA-N	240.303	1.708	50	40	BDGB	
CC/C(C)=N/NC(=O)CC(=O)N/N=C(\C)CC	5329489	SKERPTVEPVHJKY-QHKWOANTSA-N	240.307	1.181	50	40	BDGB	
C[C@@H](O)C(=O)N/N=C/c1ccc(Cl)cc1	3178978	FQUGNYIHOLVFLJ-LFKKQGMHSA-N	226.663	1.171	50	40	BDGB	
CC(=O)NN=C1C2CC3CC(C2)CC1C3	4156121	ZSPDGPJAJQGZSG-UHFFFAOYSA-N	206.289	1.935	50	40	BDGB	
CN(C)/C=C(\C=O)OCc1ccccc1	34437519	YPUSLQFSBBYBCE-XYOKQWHBSA-N	205.257	1.805	50	40	BDGB	in-vitro
C[C@@H]1CN(C(=O)CCl)[C@H](C)CC1=O	72433987	XYSFKXFNBIMWCN-RNFRBKRXSA-N	203.669	1.051	50	40	BDGB	
NNC(=O)c1ccccc1Cn1cccc1	226032212	VMTAFQUJKBYIJV-UHFFFAOYSA-N	215.256	1.140	50	40	BDGB	
C[C@@H](O)C(=O)N/N=C\c1c(F)cccc1Cl	83293717	SAVPOYPOZOUORX-IDLLUSHMSA-N	244.653	1.310	50	40	BDGB	
CCOC(=O)[C@H]1CC[C@H](Br)C1=O	95919666	KDQZTFCNIZYCQV-WDSKDSINSA-N	235.077	1.292	50	40	BDGB	
O=C(CCCCl)NCc1cccnc1	13223823	RFSMELLIGFTGOK-UHFFFAOYSA-N	212.680	1.717	50	40	BDGB	
N#CC1(NC(=O)C(Cl)Cl)CCCC1	100262953	IJRQUWDTDSGPET-UHFFFAOYSA-N	221.087	1.743	50	40	BDGB	
CC(C)(C)C(=O)NNC(=O)c1cccc(F)c1	11639101	SKTTVGOJNMIDNU-UHFFFAOYSA-N	238.262	1.633	50	40	BDGB	
CCCCC(=O)N/N=C1\C(=O)Nc2ccccc21	6471651	XEWOPTOQIPJLIQ-UHFFFAOYSA-N	245.282	1.649	50	40	BDGB	
O=C(NNC(=O)C1CC1)NC1CCCCC1	2767877	MNPJCSLXFUCNSD-UHFFFAOYSA-N	225.292	1.060	50	40	BDGB	
COc1ccc(NC(=O)NC(=O)CCl)cc1	4206236	ODWKXORLQVYKOE-UHFFFAOYSA-N	242.662	1.582	50	40	BDGB	in-vitro
CC[C@@H]1S[C@@H](C)C/C(=N/NC(N)=O)[C@@H]1C	4815009	CXEKRAUJXURPPU-SLBJPFDDSA-N	229.349	1.951	50	40	BDGB	
O=C(Cl)Cn1c(=O)oc2ccccc21	36656943	VFFIRNBFPYXJDF-UHFFFAOYSA-N	211.604	1.360	50	40	BDGB	
O=C(N/N=C\c1ccccc1F)c1cnccn1	30738240	LQJRLBMTDPCAMP-APSNUPSMSA-N	244.229	1.380	50	40	BDGB	
O=C(Cl)[C@@H]1CC(=O)N(Cc2ccco2)C1	45952329	OASUVEDDTKLPJI-SSDOTTSWSA-N	227.647	1.394	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	5834840	QGQCYDYTLBYYLI-XFFZJAGNSA-N	230.267	1.824	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1cccnc1	549341	CVRFMLMGRCWLQD-RIYZIHGNSA-N	214.228	1.174	50	40	BDGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1ccccc1	8350215	KJLQIMXUJYQFOA-NSHDSACASA-N	244.294	1.804	50	40	BDGB	
COc1cccnc1CBr	89157647	RTKBCDCUFUKBII-UHFFFAOYSA-N	202.051	1.985	50	40	BDGB	
O=C(N/N=C\c1cccnc1)c1ccccc1O	32113227	MJUFMNKLYSRONJ-DHDCSXOGSA-N	241.250	1.551	50	40	BDGB	
N#CCC(=O)N/N=C/c1ccccc1F	243790	GUAKCQJDAYPSJZ-NTUHNPAUSA-N	205.192	1.189	50	40	BDGB	
CCCCOCCOC[C@H](O)CCl	6397657	FAKYOCLCEHXDQD-SECBINFHSA-N	210.701	1.419	50	40	BDGB	
O=C(N/N=C/c1ccsc1)c1cccnc1	4490193	KDYZXCLLCYQZDS-AWNIVKPZSA-N	231.280	1.907	50	40	BDGB	
CC1CC(NC(=O)[C@H](C)Br)C1	85396027	ZEOVITVGACSPPH-HUDPQJTASA-N	220.110	1.685	50	40	BDGB	
N#C/C(=C/c1csnn1)c1ccccn1	71798834	ZWTNNIUQQZMFNW-YVMONPNESA-N	214.253	1.997	50	40	BDGB	
CC(=O)c1cc(CNC(=O)CCl)cs1	348066	IWXDDYJQDZASRW-UHFFFAOYSA-N	231.704	1.806	50	40	BDGB	
O=C1[C@@H]2[C@H]3[C@H]4[C@@H](Br)[C@@H]5[C@@H]3C[C@@H]2[C@@H]5[C@H]14	102942838	AMHCEXBDUDDEPZ-IAZSSYBASA-N	239.112	1.707	50	40	BDGB	
O=C1C[C@@H]2[C@H](Br)C[C@@H]1[C@H]2C(=O)O	100411697	BXXPKNCQABBGDK-XGVWYHLMSA-N	233.061	1.060	50	40	BDGB	
CC(C)=NN(C)P(=O)(N1CC1)N1CC1	100661612	BMBMMLFHCSZQSS-UHFFFAOYSA-N	216.225	1.053	50	40	BDGB	
O=C1C(=O)N(CCCl)c2ccccc21	2270798	YWYAMZMSYNHYFZ-UHFFFAOYSA-N	209.632	1.455	50	40	BDGB	
O=C(CCl)N/N=C/c1ccc(O)cc1	5671987	XKQNWXRCWADYCI-IZZDOVSWSA-N	212.636	1.081	50	40	BDGB	
CCn1nccc1NC(=O)[C@@H](C)Br	225814044	ZSDYBBNOFVKXHJ-ZCFIWIBFSA-N	246.108	1.625	50	40	BDGB	
CN(C)NC(=O)[C@H](Cl)c1ccccc1	5677753	SCOBVDLCZQRYIX-SECBINFHSA-N	212.680	1.559	50	40	BDGB	
Cc1cc(C)c(/C=N/NC(=O)CC#N)c(C)c1	6188589	PTXAKOMHPSNEJR-OVCLIPMQSA-N	229.283	1.976	50	40	BDGB	
O=Cc1ccccc1OC(=O)CBr	22003483	FNLOIMSSKSYIPU-UHFFFAOYSA-N	243.056	1.799	50	40	BDGB	
CN(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)CCl	79419256	AMOBYPIAMRDTSV-WDEREUQCSA-N	244.766	1.747	50	40	BDGB	
CC1(C)CC(=O)[C@H](N=C=O)[C@@](C)(N=C=O)C1	59214392	KGGLJOZZTDIYAE-ONGXEEELSA-N	222.244	1.174	50	40	BDGB	
NC(=O)N/N=C/CSCc1ccccc1	4802382	YUGJTRXFJHXFFM-WUXMJOGZSA-N	223.301	1.574	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)Nc1ccc(O)cc1F	1385208	BLUWLMMZEPNSEM-BQYQJAHWSA-N	249.245	1.439	50	40	BDGB	
Cc1ccc(NC(=S)NNC(N)=O)c(C)c1	9189515	QSEKUURKPXCBRZ-UHFFFAOYSA-N	238.316	1.173	50	40	BDGB	
C=CC[C@H](C[C@@H](O)CCCCC)C(=O)NN	1876957	SLOLRWIFWHNMLZ-MNOVXSKESA-N	228.336	1.500	50	40	BDGB	
CCOc1ccc(/C=N\NC=O)cc1OCC	31686880	LHXZODOHVGDVLN-JYRVWZFOSA-N	236.271	1.564	50	40	BDGB	
COc1cc(Cl)c(Cl)cc1C(=O)NN	45957443	XNXXODDGPMVULO-UHFFFAOYSA-N	235.070	1.606	50	40	BDGB	
O=C(OC(=O)[C@H](F)Cl)[C@H](F)Cl	199502584	MAOTXBPNBZBSDM-LWMBPPNESA-N	206.959	1.125	50	40	BDGB	
COC(=O)[C@H]1[C@@H]2C[C@@H](Br)[C@@H]1CC2=O	225629723	HJVJEVYKBDLXPL-LENIQADQSA-N	247.088	1.148	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1cccc(C)n1	16682052	HVNRMIBBIMPHER-YFHOEESVSA-N	216.240	1.860	50	40	BDGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=N/NC(N)=O)/C2=C\O	100367158	KPCMUWYRHDIGLH-ICFGPCTJSA-N	237.303	1.909	50	40	BDGB	
NNC(=O)Nc1cc(Cl)cc(Cl)c1	34551769	QMJPKWODBDMQFN-UHFFFAOYSA-N	220.059	1.989	50	40	BDGB	
O=C=Nc1ccc(OC2CCOCC2)nc1	12370584	CURMCGRWRMOXFY-UHFFFAOYSA-N	220.228	1.607	50	40	BDGB	
NC(=O)N/N=C/c1cccn1-c1ccccc1	559067	IFXCAXBNWRMZAT-NTEUORMPSA-N	228.255	1.480	50	40	BDGB	
COC(=O)c1coc(C(=O)CCl)c1	57218673	PEFRMHKBZRPHAX-UHFFFAOYSA-N	202.593	1.488	50	40	BDGB	in-vitro
CCOc1ccc(C(=O)NN)c(OCC)c1	113703745	HTLUUFCLZQXIEN-UHFFFAOYSA-N	224.260	1.088	50	40	BDGB	
CCCC(=O)N/N=C/c1ccc2c(c1)OCO2	3158748	LFLRJLZZOPIXJB-NTUHNPAUSA-N	234.255	1.666	50	40	BDGB	
C[C@H]1CN1P(=O)(N1CCCCC1)N1C[C@@H]1C	104371459	OCRXPZTTXWTEPZ-RHPMKYKZSA-N	243.291	1.989	50	40	BDGB	
COCCn1c(C)cc(/C=N/NC(C)=O)c1C	409009344	DKVFNBHKWLXLRD-MDWZMJQESA-N	237.303	1.221	50	40	BDGB	
CCN(CC)P(=O)(N1C[C@H]1C)N1C[C@H]1C	301054511	XJQYOBYQBFQJBV-JDTMCGPASA-N	231.280	1.845	50	40	BDGB	
COC(CNC(=N)CCCCl)OC	34892571	NIBGOWIMXCQQBN-UHFFFAOYSA-N	208.689	1.191	50	40	BDGB	
O=C(O)CNC1CCC(Br)CC1	79390373	HSUHAYQYZLEFMS-UHFFFAOYSA-N	236.109	1.367	50	40	BDGB	
COCCCNC(=O)/C(C#N)=C\c1cccnc1	48288774	WJRYCFATOMAJLQ-WQLSENKSSA-N	245.282	1.141	50	40	BDGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NNC(N)=O	5732640	BVAYWSNJYXABFK-OPRDCNLKSA-N	213.325	1.620	50	40	BDGB	
O=C(NNC(=O)C1CC1)c1cccc(Cl)c1	70377	ZOHAIDKNDNRJDD-UHFFFAOYSA-N	238.674	1.511	50	40	BDGB	
O=C(N/N=C\c1ccc(O)cc1)[C@@H]1CCCO1	104165312	YJJLMBUKLXDVHG-LFTLCWSBSA-N	234.255	1.021	50	40	BDGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1C	408784448	RGJDCZZXTMVFFN-NTUHNPAUSA-N	218.260	1.006	50	40	BDGB	
Cc1cccc(CO)c1NC(=O)NCCCl	1623697	LJWISXRVXBWEAU-UHFFFAOYSA-N	242.706	1.848	50	40	BDGB	
Cn1c(C(=O)NN)cc2cc(Cl)ccc21	4562051	VCBFSPIYQUKAMS-UHFFFAOYSA-N	223.663	1.435	50	40	BDGB	
CCOC(=O)/C(C#N)=C\NNc1ccccc1	57477939	XHCOMJAAMGJMJZ-KTKRTIGZSA-N	231.255	1.574	50	40	BDGB	
CC(=O)N[C@@]12CCCC(=O)[C@@H]1CC=C(C#N)O2	68591909	KSGJHSUTDPAWEL-CMPLNLGQSA-N	234.255	1.016	50	40	BDGB	
O=C(CCl)Nc1n[nH]c2ncccc12	9156379	CRIQQTBIHVTMEH-UHFFFAOYSA-N	210.624	1.135	50	40	BDGB	
Cn1c(=O)oc2cc(NC(=O)CCl)ccc21	4383812	SNGWSYYOWYICSB-UHFFFAOYSA-N	240.646	1.309	50	40	BDGB	
O=C1C2CCN(CC2)[C@H]1Br	66442640	WZKJMWWSHGWCFF-SSDOTTSWSA-N	204.067	1.002	50	40	BDGB	
NC(=O)N/N=C\c1ccccc1C(F)(F)F	33443756	LFQPGRSFNZYVGH-RZNTYIFUSA-N	231.177	1.708	50	40	BDGB	
Cc1csc(CCNC(=O)CCl)n1	31848994	KCYPIUHRBZDHTJ-UHFFFAOYSA-N	218.709	1.349	50	40	BDGB	
Cc1ccc(Br)cc1C(=O)NN	83688816	CYNQOZLWZZBUCY-UHFFFAOYSA-N	229.077	1.361	50	40	BDGB	in-vitro
CS(=O)(=O)c1ccccc1NC(=O)CCl	9646761	BTWKDNCQOZHSLW-UHFFFAOYSA-N	247.703	1.267	50	40	BDGB	
N#C/C(C(N)=O)=C1/C(=O)Nc2ccc(Cl)cc21	39556012	BVYZQRVLOOEFHI-CLFYSBASSA-N	247.641	1.055	50	40	BDGB	
COc1ccccc1S(=O)(=O)CCl	96248314	SEONKJGQJIAMRA-UHFFFAOYSA-N	220.677	1.665	50	40	BDGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O	3045400	PJGINNBZKZIMNJ-XBXARRHUSA-N	218.168	1.586	50	40	BDGB	
CCCCC(=O)NNC(=O)c1ccncc1	12284890	VVQCYROSLKFIKX-UHFFFAOYSA-N	221.260	1.033	50	40	BDGB	
O=C1C(CCl)=CS(=O)(=O)c2ccccc21	1575172	BDRWMOVNTQHPKN-UHFFFAOYSA-N	242.683	1.779	50	40	BDGB	
C[C@@H](Oc1ccc(C=C(C#N)C#N)cc1)C(=O)O	59249987	OLEFFLSZXPHKTL-SECBINFHSA-N	242.234	1.969	50	40	BDGB	
CNC(=S)C(C#N)=C1C=CN(C)C=C1	12788646	HCSNFNPQYYHBJE-UHFFFAOYSA-N	205.286	1.326	50	40	BDGB	
O=C(CCl)NC(=O)c1ccc(F)cc1	36258758	KNZOYBWLXURYGS-UHFFFAOYSA-N	215.611	1.321	50	40	BDGB	
O=C(N/N=C/c1ccco1)C1CCCC1	15934417	DWVMWXIMZDULOW-XYOKQWHBSA-N	206.245	1.920	50	40	BDGB	
O=C1OC(=O)C2=C1Cc1ccccc1C2	68568726	VOZPKXHPHPKZKP-UHFFFAOYSA-N	200.193	1.165	50	40	BDGB	
O=C(CCl)[C@@H]1CCCN1C(=O)C(F)(F)F	76687930	WXOONYPBXSUAAV-YFKPBYRVSA-N	243.612	1.348	50	40	BDGB	
CC(=O)COC[C@@H](Br)C(F)(F)F	1083808009	SZQAOXCTSGKRAT-RXMQYKEDSA-N	249.026	1.918	50	40	BDGB	
CN(CCCl)C[C@@H]1COc2ccccc2O1	95849867	ZZRAYPNEPKFMPT-SNVBAGLBSA-N	241.718	1.997	50	40	BDGB	
CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	296375	QXJBISFWVNFDOF-UHFFFAOYSA-N	234.299	1.765	50	40	BDGB	
CO[C@@H]1COCC[C@H]1CBr	307220230	OREIHDVPJUHSPX-NKWVEPMBSA-N	209.083	1.433	50	40	BDGB	
CC(C)CC(=O)NNC(=O)c1ccc(F)cc1	8205419	KFACABZOIYLCIR-UHFFFAOYSA-N	238.262	1.633	50	40	BDGB	
C[C@@H](Cl)C(=O)Nc1sccc1C(N)=O	8390456	SUSBMDAZHNHZKS-SCSAIBSYSA-N	232.692	1.413	50	40	BDGB	
O=C(CCl)Nc1nccc(Cl)n1	83344553	RIGKXCWQEBLQIP-UHFFFAOYSA-N	206.032	1.307	50	40	BDGB	
CC1CCC2(CC1)N=C(N)C(=C(C#N)C#N)N2	19932167	WRRPKQICPRGVAA-UHFFFAOYSA-N	229.287	1.154	50	40	BDGB	
CC(C)=NNC(=O)COc1ccccc1	5257188	MOTFPTHGOYFRME-UHFFFAOYSA-N	206.245	1.577	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)CC(C)C)n1	13004170	AILYGEBCMJFYEU-UHFFFAOYSA-N	222.292	1.583	50	40	BDGB	
COc1ccc(N2C(=O)C[C@@H](Cl)C2=O)cc1	100103412	UKFITXSLZKBHSN-SECBINFHSA-N	239.658	1.566	50	40	BDGB	
O=C1Nc2ccccc2[C@]12OC[C@H](CCl)O2	4862812	CQNUSAFUUVZRFL-WRWORJQWSA-N	239.658	1.446	50	40	BDGB	
ClCc1csc(N2CCOCC2)n1	26443861	YDYSHKODLGBPQN-UHFFFAOYSA-N	218.709	1.719	50	40	BDGB	
CC(C)N(C[C@H]1CCCN(C)C1)C(=O)CCl	79406663	XFOQRXZPNUYVBQ-NSHDSACASA-N	246.782	1.804	50	40	BDGB	
O=C(O)c1ccc(OCCCl)nc1	85391550	QXGKNWPNGOVSRT-UHFFFAOYSA-N	201.609	1.397	50	40	BDGB	
CCCCCCN(/N=C\C(=O)O)C(N)=O	5339691	MRPZNTQBNRQCND-XFFZJAGNSA-N	215.253	1.018	50	40	BDGB	
CC(C)c1cccc2c(=O)c(C(=O)NN)c[nH]c12	64873748	CKVOQOSPEHFKNX-UHFFFAOYSA-N	245.282	1.255	50	40	BDGB	
COC(=O)N/N=C\c1cc(OC)ccc1O	104165452	AOILYTWFGHESEQ-WDZFZDKYSA-N	224.216	1.091	50	40	BDGB	
NNC(=O)c1ncoc1-c1cccc(Cl)c1	226101160	NMEAYKNTLKXOJQ-UHFFFAOYSA-N	237.646	1.599	50	40	BDGB	
COC(=O)N1CCC(Cl)=C(C=O)C1	96510416	HMYDKRPPCUPLKL-UHFFFAOYSA-N	203.625	1.150	50	40	BDGB	
Cc1cc(C(=O)NNC2CCCCC2)n[nH]1	5401762	ZIJYAYWGQMGVFJ-UHFFFAOYSA-N	222.292	1.285	50	40	BDGB	
N#C/C(=C/Nc1cccnc1Cl)C(N)=S	101279639	IPXLDEFVSJSNJQ-WAYWQWQTSA-N	238.703	1.840	50	40	BDGB	
O=C(N/N=C\c1ccco1)c1cccc(O)c1	23410458	MENSZIULSIBXCC-JYRVWZFOSA-N	230.223	1.749	50	40	BDGB	
CC(C)[C@]12C/C(=N\NC(N)=O)[C@H](C)[C@H]1C2	4701381	MDSNCYHYNIDZGB-RITUPHCXSA-N	209.293	1.713	50	40	BDGB	
O=C(CN1CCCCC1)NN=C1CCCC1	20248390	JARJUIVJNFMESQ-UHFFFAOYSA-N	223.320	1.519	50	40	BDGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccncc1	5705274	RZILNFWTGIFZHJ-BJHMQSSRSA-N	227.267	1.763	50	40	BDGB	
O=C(CCCl)NC(=O)NCc1ccccc1	9738192	VNFXIDDBEAPIBI-UHFFFAOYSA-N	240.690	1.641	50	40	BDGB	
NC(=O)N/N=C/c1cccc(C2CC2)c1	94525337	XOYRNGIWWUFDFS-NTUHNPAUSA-N	203.245	1.566	50	40	BDGB	
N#C/C(=C\c1ccc(O)cc1)C(N)=S	137885	IUXXGYNXYSCATI-VMPITWQZSA-N	204.254	1.585	50	40	BDGB	
Cc1ccc(-c2ccccc2)cc1B(O)O	169995397	NMHLASMALNJICM-UHFFFAOYSA-N	212.057	1.342	50	40	BDGB	
Cc1noc(NC(=O)CCl)c1[N+](=O)[O-]	4285856	NVIXDVULTXPNDF-UHFFFAOYSA-N	219.584	1.069	50	40	BDGB	
OCC(CBr)CBr	2570164	ZWDCXRWHPBYVKX-UHFFFAOYSA-N	231.915	1.385	50	40	BDGB	
NNC(=O)CCNc1cccc(C(F)(F)F)c1	58846728	OBAFCUMXXNTXMP-UHFFFAOYSA-N	247.220	1.497	50	40	BDGB	
Cc1cc(C(=O)N/N=C/c2ccccc2C)[nH]n1	5818597	IQIGRNIIFKMDJV-RIYZIHGNSA-N	242.282	1.790	50	40	BDGB	
C[C@@H](Br)CN1CCOCC1	31938781	PUGQTDIXUKUSJO-SSDOTTSWSA-N	208.099	1.102	50	40	BDGB	
CCn1nccc1NC(=O)CBr	225814021	XTUDQFGBHZEVGQ-UHFFFAOYSA-N	232.081	1.236	50	40	BDGB	
CC(=O)COC[C@H](Br)C(F)(F)F	1083808010	SZQAOXCTSGKRAT-YFKPBYRVSA-N	249.026	1.918	50	40	BDGB	
C/C(N)=C(\C#N)C(=O)CN(C)C1CCCCC1	105972042	MGLRPLHIUGWPMT-BENRWUELSA-N	235.331	1.576	50	40	BDGB	
C[C@H](Cl)C(=O)NNC(=O)c1ccccc1	4206396	YRXSIGFCYFVJPY-ZETCQYMHSA-N	226.663	1.075	50	40	BDGB	in-vitro
CCS(=O)(=O)[C@H](Cl)[C@H](O)C(C)(C)C	96518976	FDDFZUFTPPNSOT-BQBZGAKWSA-N	228.741	1.393	50	40	BDGB	
NNC(=O)c1ccc(N2CCCCC2)cc1	167297910	NLDYZVXJDDWPJI-UHFFFAOYSA-N	219.288	1.280	50	40	BDGB	
COc1cc(/C=C(/C#N)C(=O)O)ccc1O	15408007	VBHMEVXDNSXEME-YWEYNIOJSA-N	219.196	1.392	50	40	BDGB	in-vitro
CN(C)c1ncnc(Cl)c1CCl	72266525	GNXHJYDDEGEQEL-UHFFFAOYSA-N	206.076	1.935	50	40	BDGB	in-vitro
O=C(NNC(=S)Nc1ccccc1)C1CC1	45850	BYBQJFBRQIIBEW-UHFFFAOYSA-N	235.312	1.414	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1	6453126	WOIMLGGUHBEKQY-XFFZJAGNSA-N	245.234	1.553	50	40	BDGB	
O=C(CCl)NC(=O)c1ccc(Cl)cc1	3290397	MFPAFLUPDLDNJL-UHFFFAOYSA-N	232.066	1.835	50	40	BDGB	
COc1ccc(/C=C/C(C)=N/NC(N)=O)cc1	16940780	KDKOYKPYFCGPBB-LDKZCNOQSA-N	233.271	1.753	50	40	BDGB	
C[C@H](c1ccccc1)[C@@H]1CC(=O)OC1=O	100231760	PWSNISILRLHKNE-SCZZXKLOSA-N	204.225	1.880	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)C[n+]2ccccc2)o1	1746051	BONLKAHKBBYGNZ-NTEUORMPSA-O	244.274	1.026	50	40	BDGB	
C[C@@H]1CO[C@H]([C@@H]2C[C@@H]3C[C@@H]2[C@H](O)[C@@H]3Cl)O1	100927059	ALRFFJGNNDCJFL-LISBMYGHSA-N	232.707	1.372	50	40	BDGB	
NC(=O)N/N=C\c1c[nH]c2ccccc12	83318691	AIKKFQKQKUGAQA-MLPAPPSSSA-N	202.217	1.170	50	40	BDGB	
CCOC(=O)c1ocnc1CBr	148604825	VFIOWZYROYPJEZ-UHFFFAOYSA-N	234.049	1.746	50	40	BDGB	
C[C@@H]1CO[C@H]([C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@H]3Cl)O1	254873019	ALRFFJGNNDCJFL-UBJVPSBKSA-N	232.707	1.372	50	40	BDGB	
CCO/C=C1/C(=O)OC(=O)c2ccccc21	100250148	DVHWPERWSCRNCH-JXMROGBWSA-N	218.208	1.761	50	40	BDGB	
C[C@H](NC(=O)CCl)c1nc2ccccc2[nH]1	45796264	SUYOXTYLIUDQHP-ZETCQYMHSA-N	237.690	1.979	50	40	BDGB	
O=C(CCl)NC[C@H]1Cc2ccccc2O1	37993134	ILTSQTKIVKMQTP-SECBINFHSA-N	225.675	1.345	50	40	BDGB	in-vitro
CCc1ccc(-c2nc(C(=O)NN)cs2)cc1	4218508	ITJWYIWRPMLJRA-UHFFFAOYSA-N	247.323	1.976	50	40	BDGB	
COC(=O)c1ccc(O)c(NC(=O)CCl)c1	72191438	PRBMBJOKZIZDIZ-UHFFFAOYSA-N	243.646	1.356	50	40	BDGB	
O=c1ccccn1CCBr	19416026	NATIFIFIDLQXIT-UHFFFAOYSA-N	202.051	1.243	50	40	BDGB	in-vitro
O=C(CN1CCCCC1)N/N=C/c1ccccc1	20248606	RCAXDRMCHXZRBR-RVDMUPIBSA-N	245.326	1.623	50	40	BDGB	
N#C/C(=C\c1cccs1)C(=O)NC1CC1	2759023	KCCZWXIMNPUIIW-SOFGYWHQSA-N	218.281	1.934	50	40	BDGB	
C[C@@H](Cl)C(=O)NCCc1ccccc1	3635610	YMKVLIVAWASLAU-SECBINFHSA-N	211.692	1.973	50	40	BDGB	in-vitro
CC[C@H](C)NC(=O)[C@H](C)Br	34196690	HFJATYJXQDZHGW-WDSKDSINSA-N	208.099	1.685	50	40	BDGB	
O=CN[C@@H](Cl)C(Cl)(Cl)Cl	31623170	GUTALTICIZXUBM-UWTATZPHSA-N	210.875	1.668	50	40	BDGB	
O=C(Cl)c1ccc(B2OCCCO2)cc1	224876442	BYNHPVKNMAYFJO-UHFFFAOYSA-N	224.452	1.198	50	40	BDGB	
NC(=S)NNC(=O)c1cccc2ccccc12	15423262	VPVSKHOABIXNIE-UHFFFAOYSA-N	245.307	1.318	50	40	BDGB	
CC(/C=C\c1ccc2c(c1)OCO2)=N/NC(N)=O	17140404	OERIEMCNIQZZKL-YPLIVXAASA-N	247.254	1.473	50	40	BDGB	
O=CN/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1710928	ZKQOFWLDKTUXRE-ONNFQVAWSA-N	227.607	1.328	50	40	BDGB	
O=C(CCl)N(CCO)Cc1ccccc1	157646	JYUWNFAYERZSNN-UHFFFAOYSA-N	227.691	1.246	50	40	BDGB	in-vitro
Cc1cc(C(=O)NNc2ccccc2F)no1	151474	VNJQNKZHKFEHID-UHFFFAOYSA-N	235.218	1.879	50	40	BDGB	
O=C(NNc1ccc(Cl)nn1)c1ccccc1	163298	UMCXKZPSQMSKAU-UHFFFAOYSA-N	248.673	1.887	50	40	BDGB	
O=C(NN=C1CCCC1)[C@@H](O)c1ccccc1	1480392	BUZFAKOKYNHGAH-LBPRGKRZSA-N	232.283	1.766	50	40	BDGB	
COc1c(Cl)cc(C)cc1C(=O)NN	57339238	KMYOMRSKBFZXQC-UHFFFAOYSA-N	214.652	1.261	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)NCC(F)(F)F	34939368	MWWZRXPYACBMPS-GSVOUGTGSA-N	232.589	1.002	50	40	BDGB	in-vitro
CC(C)COc1ccc(/C=N/NC(N)=O)cc1	59565379	NYZSLDMKRDTWHB-VGOFMYFVSA-N	235.287	1.724	50	40	BDGB	
CCCOc1ccc2[nH]c(C(=O)NN)cc2c1	4591702	LRASAPQUCBHVJT-UHFFFAOYSA-N	233.271	1.560	50	40	BDGB	
CC(=O)NNc1cc(Cl)nc(Cl)n1	41078044	RDEPBYNMUGKZDV-UHFFFAOYSA-N	221.047	1.246	50	40	BDGB	
Cc1cccc(C(=O)[C@@H](Cl)S(C)(=O)=O)c1	96517776	XKPCPAWYJUOBDA-JTQLQIEISA-N	246.715	1.787	50	40	BDGB	
ClC[C@@H]1CNC(c2ccccc2)=NO1	38892354	WZJCDAHJVIMHRG-SECBINFHSA-N	210.664	1.575	50	40	BDGB	in-vitro
CCC[C@H](CC/C(C)=N/NC(N)=O)[N+](=O)[O-]	5731881	XWQLHAHPXYWCBK-XAPLUZPNSA-N	230.268	1.256	50	40	BDGB	
N#CCn1c(CCl)nc2ccccc2c1=O	3284919	TVWOMMUOMALGMM-UHFFFAOYSA-N	233.658	1.659	50	40	BDGB	
C/C(=N/NC(N)=O)[C@H]1[C@@H]2C[C@@H]3[C@@H]1[C@@H]3[C@@H]2Cl	104073198	YABHNBJBEIKGSH-JTCVUXTHSA-N	227.695	1.150	50	40	BDGB	
O=C1[C@@H](Br)CCN1CC(F)(F)F	39042749	ULBYKRDEJLEBER-BYPYZUCNSA-N	246.026	1.545	50	40	BDGB	
CC(C)c1ccc(/C=N\NC(=O)NN)cc1	31667016	RRDPSSYETITCRJ-QPEQYQDCSA-N	220.276	1.317	50	40	BDGB	
CC(C)N(C[C@@H]1CCCN1C)C(=O)CCl	79406612	BQYWNWOQRZGPSO-JTQLQIEISA-N	232.755	1.556	50	40	BDGB	
O=C(Cl)c1cc(CN2CCCC2)on1	45796293	WVTMINRZHBGEQZ-UHFFFAOYSA-N	214.652	1.649	50	40	BDGB	
COc1ccc(Cl)cc1C/C=N/NC(N)=O	5640246	DILOCXNRIUWHML-WLRTZDKTSA-N	241.678	1.545	50	40	BDGB	
COP(=O)(OC)[C@H](O)C(Cl)Cl	5998039	SJZJHMWQLCCOOR-BYPYZUCNSA-N	222.992	1.594	50	40	BDGB	
Nc1ccc(S(=O)(=O)CCCl)cc1	1737142	DZOKLJWXKPFVNX-UHFFFAOYSA-N	219.693	1.281	50	40	BDGB	
CC(C)CN1CCN(CCCl)CC1	23292159	OQQRFQJPATZTPM-UHFFFAOYSA-N	204.745	1.499	50	40	BDGB	
CN(C)/C=C(/C=O)c1ccccc1[N+](=O)[O-]	33674454	PSNHGTBTKGIRRS-CLFYSBASSA-N	220.228	1.696	50	40	BDGB	
NNC(=O)c1ccc(Cc2ccccc2)[nH]1	226028123	CIZAZXWVTTUHNA-UHFFFAOYSA-N	215.256	1.209	50	40	BDGB	
C[C@H]1C/C(=N\NC(N)=O)[C@@H]2C[C@H]1C2(C)C	105175115	USMSEBRNTOAJAR-PSELWFOSSA-N	209.293	1.713	50	40	BDGB	
N/N=C/CCCCCCCCC(=O)NN	5612406	WXXFSIGOMJPTFU-UKTHLTGXSA-N	214.313	1.042	50	40	BDGB	
CCOC(=O)/C(C#N)=C/Nc1ccncc1	17125449	RXNIVLRFGGMMQG-CMDGGOBGSA-N	217.228	1.464	50	40	BDGB	
N#CC1=C[C@H]2CC[C@@H]1C(C#N)(C#N)C2(C#N)C#N	4721932	DZBBCDCSMLPFOW-MNOVXSKESA-N	233.234	1.543	50	40	BDGB	
CCc1ccc(C(=O)NN)cc1Br	226256056	DWZIACVSEISXBJ-UHFFFAOYSA-N	243.104	1.615	50	40	BDGB	
Cc1c(C(=O)NN)cccc1-n1cccc1	226244572	ZKGDAKGKUNNMPJ-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
CCCCCC(=O)NNC(=O)c1ccncc1	5978064	BSPIUCWIDOJHQH-UHFFFAOYSA-N	235.287	1.423	50	40	BDGB	
CCCC[S@](=O)(=[25O])CCCCl	100081213	PWOOIWDIWHABSY-MWAYOYAASA-N	207.745	1.830	50	40	BDGB	
O=S1(=O)CCc2ccccc2[C@H](Cl)C1	4403762	DWFHOYZCDGUMAH-SNVBAGLBSA-N	230.716	1.937	50	40	BDGB	
CC(C)CC[C@@H](CC(C)(C)O)C(=O)NN	2267652	MHRWUCXLYVQXGV-VIFPVBQESA-N	216.325	1.190	50	40	BDGB	
CN1CCN(c2ccc(C=C(C#N)C#N)o2)CC1	9239548	ZUIVIMANAQHMGC-UHFFFAOYSA-N	242.282	1.462	50	40	BDGB	
CNC(=O)/C(C#N)=C/c1cccc(C)c1C	96298380	JOXFHAQBKZLKQN-KPKJPENVSA-N	214.268	1.956	50	40	BDGB	
CCn1c(Cc2ccco2)ccc1C(=O)NN	226031195	PYMZGIYFLZBJOE-UHFFFAOYSA-N	233.271	1.295	50	40	BDGB	
O=C(N/N=C/c1cccnc1)c1ccccc1F	37754	RDQJPMIBHXYAPL-CXUHLZMHSA-N	243.241	1.985	50	40	BDGB	
Cc1n[nH]c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2	5125980	IREIAQOBAHYIFK-JTQLQIEISA-N	242.238	1.529	50	40	BDGB	
C[C@H]1CNC(=S)SSC(=S)N1	1653097	PURABAOGSHZPSF-VKHMYHEASA-N	224.401	1.519	50	40	BDGB	
N#CC1=C[C@H](c2ccccc2)[C@H]2OC(=O)N[C@H]2O1	4267598	PEJFPXVYSOHJBX-UTUOFQBUSA-N	242.234	1.642	50	40	BDGB	biogenic
Cc1cccc([C@@H](O)[C@H](Cl)S(C)(=O)=O)c1	96518889	HUVAKZASXOADTD-NXEZZACHSA-N	248.731	1.638	50	40	BDGB	
CCC/C(=N/NC(N)=O)C1CCOCC1	17158236	JRECVVJSDCIBQX-XFXZXTDPSA-N	213.281	1.237	50	40	BDGB	
CC1(CC(=O)NN=C2CCCC2)OCCO1	59502734	ONRFXPHBVSINQB-UHFFFAOYSA-N	226.276	1.186	50	40	BDGB	
C[C@@H](/C=N/NC(N)=O)Cc1ccc2c(c1)OCO2	4828694	GTGQHWTUTNWXPW-RWNYKPJXSA-N	249.270	1.248	50	40	BDGB	
N#C/C(N)=C(C#N)\N=C/c1cccc(Cl)c1	91302310	BKMDREINDHMFQI-CFORFMSPSA-N	230.658	1.976	50	40	BDGB	
BrCCO[C@H]1CCCOC1	83252720	CHNDBVHKKLUBCO-ZETCQYMHSA-N	209.083	1.577	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccccc1F	37756	SYWXOCIPSVNNEY-OVCLIPMQSA-N	231.230	1.918	50	40	BDGB	
CCc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1	408746	MDNCZRQYPWNBEO-UHFFFAOYSA-N	230.271	1.243	50	40	BDGB	in-vitro
C[C@H]1CCC[C@H](NC(=O)NC(=O)CCl)[C@@H]1C	3887963	HMBFDDSLYMRBIX-YIZRAAEISA-N	246.738	1.876	50	40	BDGB	
NNC(=O)c1ccc(Cl)cc1Br	2580650	DZHFCZDTCHVFRI-UHFFFAOYSA-N	249.495	1.706	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\c1cccs1	96765691	CSPGEHYMLGQDRW-YVMONPNESA-N	213.283	1.657	50	40	BDGB	
CC[C@H]1CC/C(=N\NC(=O)Cc2cc(C)n[nH]2)C1	95956122	UQGADJWTDGLJFO-MKNMWBPTSA-N	248.330	1.943	50	40	BDGB	
N#Cc1ccccc1-c1ccc(C(=O)NN)o1	216875961	ZPPWAMKZJDLJMF-UHFFFAOYSA-N	227.223	1.422	50	40	BDGB	
Cc1nn(C)cc1/C=N/NC(=O)c1ccco1	549062	IRWCNNCGHYUGES-WUXMJOGZSA-N	232.243	1.085	50	40	BDGB	
CO[Si](CC[C@H]1CC[C@H]2O[C@@H]2C1)(OC)OC	169746973	DQZNLOXENNXVAD-GMTAPVOTSA-N	246.379	1.822	50	40	BDGB	
N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(N)=S	2049251854	ZJUPLUDEWMWRRF-UHFFFAOYSA-N	233.252	1.788	50	40	BDGB	
CN1CCC(C(=O)NNc2ccccc2)CC1	1584478	YONBVSKZSPXUPP-UHFFFAOYSA-N	233.315	1.472	50	40	BDGB	
CC1=C[C@H](C)[C@@H](/C=N/NC(N)=O)[C@@H](C)C1	107856645	YBYSXMKQRHGENA-WZDPDGJBSA-N	209.293	1.879	50	40	BDGB	
C[C@H](C(=O)O)N(CCCl)CCCl	1758974	NRIFCKOLJVDPTP-ZCFIWIBFSA-N	214.092	1.239	50	40	BDGB	biogenic,in-vitro
CCOC(=O)N/N=C\c1ccc(NC(C)=O)cc1	31687239	PTWUJUMLKSGPQU-JYRVWZFOSA-N	249.270	1.725	50	40	BDGB	
O=C1OC(=O)N2Cc3ccccc3C[C@@H]12	95713985	MFQCEFDMLXLCGB-VIFPVBQESA-N	203.197	1.090	50	40	BDGB	
CC[C@]12C[C@H](OC1=O)[C@H](Br)C2	5046501	VHORWKDEFXZKPP-CHKWXVPMSA-N	219.078	1.866	50	40	BDGB	
O=S1(=O)[C@H]2CCC[C@@H]1[C@@H](Cl)CC2	1721585	GBAMSMWXHXGKBX-BIIVOSGPSA-N	208.710	1.724	50	40	BDGB	
C/C(Cc1ccccc1)=N\NC(=O)CC#N	20248625	PXNWQONTVQUNSE-GXDHUFHOSA-N	215.256	1.635	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1cccc(O)c1	100205922	FYRYZOWIBDUVTF-HJWRWDBZSA-N	232.239	1.775	50	40	BDGB	
O=C=NC12CC3CC(C1)CC(N=C=O)(C3)C2	100882729	MLXLDKWQJYBKOH-UHFFFAOYSA-N	218.256	1.749	50	40	BDGB	
Cc1cc(C(=O)NN)cn1C1CCCCC1	223749937	PLVMQUJEKAHDPM-UHFFFAOYSA-N	221.304	1.905	50	40	BDGB	
Cc1cc(C)c(/C=N/NC(=O)NN)c(C)c1	1598004	WKTFQTRUGAXDIK-AWNIVKPZSA-N	220.276	1.119	50	40	BDGB	
C/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	3899065	XFCOQTVBWYTUNW-WTDSWWLTSA-N	207.189	1.330	50	40	BDGB	
C/C(=C(/C#N)C(N)=O)c1ccccc1F	12398375	QVZVTQIRZFLJMQ-VQHVLOKHSA-N	204.204	1.608	50	40	BDGB	
Cc1cc(C(=O)N/N=C/c2ccccc2F)[nH]n1	18240538	ZBVJSYIRBPWVDY-VGOFMYFVSA-N	246.245	1.621	50	40	BDGB	
CCCn1cc(C2CC(=O)OC(=O)C2)cn1	217688618	HLZBBIWJFSTSIB-UHFFFAOYSA-N	222.244	1.240	50	40	BDGB	
CN1CCC[C@H](I)C1	79436932	IELOUGOZFCNFEG-LURJTMIESA-N	225.073	1.516	50	40	BDGB	
Cc1ccc2ncc(C(=O)Cl)c(=O)n2c1	91304932	OJDFZFOFURYOCQ-UHFFFAOYSA-N	222.631	1.382	50	40	BDGB	
O=S(OCCCl)OCCCl	1687018	GOAGUIZMJMWVOE-UHFFFAOYSA-N	207.078	1.076	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(C(=O)O)cc1	1712957	WZKXYWHCCNIXPN-KPKJPENVSA-N	236.227	1.465	50	40	BDGB	
CN(CCC#N)c1ccc(/C=N/NC(N)=O)cc1	5586516	AVTDDTUGDZKLBR-OQLLNIDSSA-N	245.286	1.039	50	40	BDGB	
CC(C)CC(=O)NNC(=O)CCc1ccco1	22519888	MTNMBNUBEFWCLA-UHFFFAOYSA-N	238.287	1.406	50	40	BDGB	
CC(C)CNC(=O)NC(=O)[C@@H](C)Cl	8939870	WVGYYTZZNCSBQI-ZCFIWIBFSA-N	206.673	1.096	50	40	BDGB	in-vitro
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3C=C[C@@H]4C3)[C@@H]12	104292962	OFKIERVADQOMGB-GGYFDKARSA-N	228.247	1.454	50	40	BDGB	
Cc1ncc([N+](=O)[O-])n1C[C](O)CCl	1560407476	HKWMLGKKEXBSAO-UHFFFAOYSA-N	218.620	1.243	50	40	BDGB	
C[C@@H]1CN(C(=O)C(Cl)Cl)C(C)(C)O1	5735783	YNQSILKYZQZHFJ-RXMQYKEDSA-N	226.103	1.774	50	40	BDGB	
Cc1noc(C)c1CC(=O)NNc1ccccc1	72636997	MMKCKNFKXUUQEE-UHFFFAOYSA-N	245.282	1.977	50	40	BDGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@H]3O[C@@H]3C2)O1	100934424	NBDKOJSGJIGOBM-JDDHQFAOSA-N	218.680	1.534	50	40	BDGB	
I[C@@H]1CCCOC1	39191005	QVJRNESQUGVQKG-RXMQYKEDSA-N	212.030	1.600	50	40	BDGB	
CC/C(=N\NC(N)=O)c1ccc(O)c(C)c1	55134824	RAJOSARFRPZPHL-UKTHLTGXSA-N	221.260	1.483	50	40	BDGB	
O=CN/N=C\c1c(O)ccc2ccccc12	12416982	ARGMWTRVKNOTRD-QPEQYQDCSA-N	214.224	1.625	50	40	BDGB	
CCOC(=O)C(C#N)=C1C[C@@H](C)O[C@H](C)C1	1697484	ZJUCFKMSYJGSFT-RKDXNWHRSA-N	223.272	1.957	50	40	BDGB	
C[C@]12CC[C@H](C(=O)C1=O)[C@@]2(C)CBr	3865737	YCFGJEUKLHTOAS-WHFVKQHSSA-N	245.116	1.956	50	40	BDGB	
O=C(CCl)N1CCc2sccc2C1	12505259	QSRTWFRGDFZQPO-UHFFFAOYSA-N	215.705	1.872	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	59333830	XYQURMZNSZMNAJ-XFFZJAGNSA-N	244.250	1.380	50	40	BDGB	
CC(=O)/C(C)=N\NC(=O)c1ccccc1O	103843903	ZCRMVSLYFOEUHX-GHXNOFRVSA-N	220.228	1.087	50	40	BDGB	
CCc1ccc(C(=O)NNC(=O)C=C(C)C)cc1	66995424	IMHZHUCPNFVJQS-UHFFFAOYSA-N	246.310	1.976	50	40	BDGB	
C[C@H](Cl)C(=O)NC(=O)NCc1cccs1	37467241	GVISFHAPAVZRFZ-LURJTMIESA-N	246.719	1.701	50	40	BDGB	
CN(C)c1ccc(C(N)=C(C#N)C#N)cc1	18100440	PGGBDLLXAXXHJY-UHFFFAOYSA-N	212.256	1.470	50	40	BDGB	
CCOC(=O)NN=C1CCSCC1	385851	YEIIRTZMHYFONC-UHFFFAOYSA-N	202.279	1.616	50	40	BDGB	
O=c1c(Cl)c(Cl)cnn1CCCl	1691638	NMYDFCMVJIHOLA-UHFFFAOYSA-N	227.478	1.789	50	40	BDGB	
CN1C(=O)[C@@H](Br)SC1=S	2044110	PXIBSCQCUOHADM-REOHCLBHSA-N	226.120	1.198	50	40	BDGB	
COc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	96765702	URCHNUHTUCATBQ-XFFZJAGNSA-N	237.280	1.604	50	40	BDGB	
ClCC(CCl)OC[C@H]1COCO1	5377051	XVEJEMZXMWMYCS-SSDOTTSWSA-N	215.076	1.222	50	40	BDGB	
CC(=O)N(CCC#N)/N=C/c1ccccc1O	2763155	KUFVBPOXEDEQCM-NTEUORMPSA-N	231.255	1.488	50	40	BDGB	
CC12[C@H]3C4[C@H]5C(=O)OC(=O)[C@@H]5C5[C@H]3C1(C)[C@H]5[C@@H]42	101043930	VSXGOCWVVVTOMM-WDAZZBCBSA-N	230.263	1.080	50	40	BDGB	
C[C@@H]1NN[C@H](C(F)(F)F)[C@@H]1Br	585665283	RAGJAWZFQWQCFB-NUNKFHFFSA-N	233.031	1.177	50	40	BDGB	
Cc1ccc(C[C@H]2NC(=O)OC2=O)cc1C	1772714645	DKLLADGFZWXJGX-SNVBAGLBSA-N	219.240	1.481	50	40	BDGB	
CO[C@@H]1O[C@@H](CCl)[C@@H](Cl)[C@@H](Cl)[C@@H]1O	5063269	KZFOYKYGKRJACD-CXNFULCWSA-N	249.521	1.172	50	40	BDGB	
Cc1ccc(/C=N\NC(=O)c2cnccn2)o1	12462491	IINAOJJIDXJERD-NSIKDUERSA-N	230.227	1.142	50	40	BDGB	
CC1(C)OCOC[C@H]1COC(=O)CCl	2045301	WPNFCCAZUUWIJJ-ZETCQYMHSA-N	222.668	1.168	50	40	BDGB	
N#C/C(=C/c1ccc(Cl)cc1)C(N)=O	1638499	CXTSJKVCXQOGCX-YVMONPNESA-N	206.632	1.732	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)OC(C)(C)C	6761751	URJMTTCKYPTHRC-XYOKQWHBSA-N	223.276	1.884	50	40	BDGB	
NNC(=O)c1ccc(-c2ccc(F)cc2)o1	9434568	DCWMJMZWFNAANF-UHFFFAOYSA-N	220.203	1.689	50	40	BDGB	
Cn1cccc1/C=N\NC(=O)c1cccc(O)c1	409095401	HUIYGDSKGVHQEF-ZROIWOOFSA-N	243.266	1.495	50	40	BDGB	
C[C@@H]1CO[C@H]([C@@H]2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3Cl)O1	254873016	ALRFFJGNNDCJFL-BAGIKHCGSA-N	232.707	1.372	50	40	BDGB	
COOC(=O)[C@@H](C)Oc1ccc(O)cc1	390822325	GNNOZNMQDLUHSS-SSDOTTSWSA-N	212.201	1.264	50	40	BDGB	
C/C=N/NC(=O)COc1ccccc1C	5621354	LFVNYDCGRVBQLJ-KGVSQERTSA-N	206.245	1.496	50	40	BDGB	
CC(/C=N/NC(N)=O)=C\c1ccccc1	16136539	YTKQXXYDVXUTFV-AVPQAVFTSA-N	203.245	1.744	50	40	BDGB	
CC1(C)OCOC[C@@H]1COC(=O)CCl	1677491	WPNFCCAZUUWIJJ-SSDOTTSWSA-N	222.668	1.168	50	40	BDGB	
O=C(N/N=C/c1cccs1)C1=COCCO1	3180228	XBXHAEVROYFGCL-IZZDOVSWSA-N	238.268	1.086	50	40	BDGB	
CCOC(=O)c1c(C)noc1CCl	44154560	UDOZCWZTVREQEG-UHFFFAOYSA-N	203.625	1.899	50	40	BDGB	
O=c1[nH]c(CCl)nc2ccc(F)cc12	13553008	TWJRYCIXGXFWGV-UHFFFAOYSA-N	212.611	1.801	50	40	BDGB	
ClCSc1nnnn1-c1ccccc1	2145198	UHLZYOFBISYKRA-UHFFFAOYSA-N	226.692	1.951	50	40	BDGB	in-vitro
Cc1cc(C)n(CCCNC(=O)[C@@H](C)Cl)n1	35411960	SVBXHPQYOJESIT-SNVBAGLBSA-N	243.738	1.634	50	40	BDGB	
COc1cccc(/C=C/C(C)=N/NC(N)=O)c1	5552648	DYBUEYNUGBEMAS-LYNMIIHYSA-N	233.271	1.753	50	40	BDGB	
CCOC(=O)N(CCCl)CCCl	1634326	LKVXSBPPCRGKIF-UHFFFAOYSA-N	214.092	1.923	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(O)cc1O	1712959	ADFOXHQHINVUBI-IZZDOVSWSA-N	224.216	1.178	50	40	BDGB	
CN(C)S(=O)(=O)c1cccc(CCl)c1	2643976	VAFVNWAVJPFHBF-UHFFFAOYSA-N	233.720	1.676	50	40	BDGB	
CC(C)n1nccc1NC(=O)CCl	3888004	COMFBOSALXURDO-UHFFFAOYSA-N	201.657	1.641	50	40	BDGB	in-vitro
NNC(=O)Cc1ccc(Cl)cc1Cl	37387867	ZWBNNOIZKVBTQV-UHFFFAOYSA-N	219.071	1.526	50	40	BDGB	
O=C1Nc2ccccc2C[C@@H]1Br	39951982	RZBZJWOYASHRDC-ZETCQYMHSA-N	226.073	1.945	50	40	BDGB	
O=C(O)[C@@H]1[C@@H]2C[C@@H](Cl)[C@@H]1CC21OCCO1	254411021	KLBCJXDWJFIPSO-HSNKUXOKSA-N	232.663	1.078	50	40	BDGB	
C[C@@H]1C/C(=N\NC(N)=O)[C@H]2C[C@@H]1C2(C)C	4843964	USMSEBRNTOAJAR-ZJXKHFMXSA-N	209.293	1.713	50	40	BDGB	
COc1ccc2sc(C(=O)NN)cc2c1	62709788	UPDCMLWKFXHDQB-UHFFFAOYSA-N	222.269	1.513	50	40	BDGB	
CC1(NC(=O)CBr)CCC1	96509128	MNLRLGDHGRBIMG-UHFFFAOYSA-N	206.083	1.440	50	40	BDGB	
O=CC1=C(Cl)N(CC(F)(F)F)C(=O)CC1	257197932	NRDWCRLYQOYYNB-UHFFFAOYSA-N	241.596	1.820	50	40	BDGB	
CC(=O)C1=C(C)NC(=C(C#N)C#N)C(C#N)=C1	5503663	XQFDGTATISXRRV-UHFFFAOYSA-N	224.223	1.204	50	40	BDGB	
N#C/C(C(N)=O)=C1\CCCc2sccc21	17020385	GDBAVVVBRDPXFD-CLFYSBASSA-N	218.281	1.847	50	40	BDGB	
O=C(NNC(=S)S)c1ccc(Cl)cc1	97495	HWEAZRGABXKNEK-UHFFFAOYSA-N	246.744	1.789	50	40	BDGB	
C[C@H](CCl)NS(=O)(=O)c1ccccc1	8637753	WTUGAXUPSUTLEL-MRVPVSSYSA-N	233.720	1.592	50	40	BDGB	
CN(C)[P@]1(=O)NCc2ccccc2N1	59662336	MRRKLQHJECIUOE-AWEZNQCLSA-N	211.205	1.871	50	40	BDGB	
CC(C)NC(=O)NNC(=O)C=C1CCCCC1	49467472	OQRQVHVNQLDOTO-UHFFFAOYSA-N	239.319	1.616	50	40	BDGB	
CCC/C=N/NC(=O)c1cccc(O)c1	4194790	DOVCSTHCCWGIQE-KPKJPENVSA-N	206.245	1.908	50	40	BDGB	
IC[C@H]1CCNC1	72194506	BPDMVPHOJCZZRF-RXMQYKEDSA-N	211.046	1.031	50	40	BDGB	
C[C@@H](NC(=O)CCl)c1nccs1	41698979	HBTKIIXMNCPIFH-RXMQYKEDSA-N	204.682	1.559	50	40	BDGB	
C[C@@H](c1ccccc1)n1ccc(C(=O)NN)c1	223722484	FCIZIIDUCZYWGK-JTQLQIEISA-N	229.283	1.701	50	40	BDGB	
NNC(=O)CCCCc1nc2ccccc2[nH]1	95618977	ADWUXCLYUHFQMP-UHFFFAOYSA-N	232.287	1.266	50	40	BDGB	
O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1ccccn1	6342854	JOMMGSHZFUTLSY-MEHNQBGXSA-N	229.283	1.987	50	40	BDGB	
NC(=O)N/N=C/[C@H]1CCc2ccccc2C1	5539105	PRIOIBWJSYYYEU-PFMRQGHBSA-N	217.272	1.446	50	40	BDGB	
O=C(CCl)NC[C@H]1C[C@@H]2CC[C@H]1C2	6317431	DEMBNIDNLWDHLT-HRDYMLBCSA-N	201.697	1.778	50	40	BDGB	
CC(=O)N/N=C/c1cccn1-c1ccccc1	59679488	QRNYRDAQBUBQMB-GXDHUFHOSA-N	227.267	1.947	50	40	BDGB	
CCOC(=O)[C@@H]1CCC(=O)[C@@H](Br)C1	39340290	IGOWSOGBQMBHIY-RQJHMYQMSA-N	249.104	1.682	50	40	BDGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=N\NC(N)=O	16102435	UKSZPQBTXXUTND-OKFJPLFFSA-N	223.276	1.036	50	40	BDGB	
CCOc1ccc(/C(C)=N\NC(N)=O)cc1	17314136	VLCOIGQWNPUBQS-JYRVWZFOSA-N	221.260	1.478	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1nccs1	16682039	OVVYESNBOFMQOL-SREVYHEPSA-N	223.257	1.526	50	40	BDGB	
O=C(O)c1ccc(NC[C@@H](O)CCl)cc1	307813	KWNZZVPNMSOJGU-VIFPVBQESA-N	229.663	1.396	50	40	BDGB	
O=C1CCCC[C@@H]1CNCCBr	2451947	VGZLPEOTUFDULI-MRVPVSSYSA-N	234.137	1.730	50	40	BDGB	
COc1c(C(=O)NN)cc(Cl)c(C)c1C	57339770	DAONGUXDKICXHM-UHFFFAOYSA-N	228.679	1.569	50	40	BDGB	
O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)c1ccccn1	100434044	JOMMGSHZFUTLSY-HDNPNFOBSA-N	229.283	1.987	50	40	BDGB	
N#CSCC(=O)Nc1ccc([N+](=O)[O-])cc1	4181905	BSBHVEGQXHSSOC-UHFFFAOYSA-N	237.240	1.748	50	40	BDGB	
CC[C@H](C)[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21	4894733	MGAFCJQULOZDKA-RCOVLWMOSA-N	232.287	1.934	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\c1ccc(O)cc1	96765693	WDGLGHJUDIZNNE-POHAHGRESA-N	223.253	1.301	50	40	BDGB	
NNC(=O)Cc1cccc(C(F)(F)F)c1	37387871	JNALJBUPABHFKK-UHFFFAOYSA-N	218.178	1.238	50	40	BDGB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCl	100714028	WBCYUPGJTFWHCV-RBXMUDONSA-N	225.675	1.032	50	40	BDGB	
CCOC(=O)NNC(=O)c1cc2ccccc2o1	21771110	XFXBIHJASCXVMA-UHFFFAOYSA-N	248.238	1.824	50	40	BDGB	
CSC(SC)=C(C#N)C(=O)NN=C(C)C	6262266	SSXGOVKOTUWGHN-UHFFFAOYSA-N	243.357	1.960	50	40	BDGB	
NNC(=O)c1ccc(Br)c(Cl)c1	2562412	AVMUCZNGCWTULU-UHFFFAOYSA-N	249.495	1.706	50	40	BDGB	in-vitro
O=[N+]([O-])c1ccc(-n2nnnc2CCl)cc1	4907302	UDRUPPHUONOWEL-UHFFFAOYSA-N	239.622	1.309	50	40	BDGB	
C[C@@H](Br)C(=O)N1C2CCC1CC2	225816271	GKYIPRWSJHWARZ-JECWYVHBSA-N	232.121	1.923	50	40	BDGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)O)cc1	12339864	CXZXLLVNQYUMAW-YFHOEESVSA-N	216.240	1.744	50	40	BDGB	
N#CSc1cc2c(cc1[N+](=O)[O-])OCO2	983310	FJINCQJCFYLVEJ-UHFFFAOYSA-N	224.197	1.897	50	40	BDGB	
Cn1cc(C(=O)Cl)c(C(=O)Cl)n1	59211820	WZTRWLPTZOWHGR-UHFFFAOYSA-N	207.016	1.178	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1cccs1	4579647	AARPPIBATVBGSA-YRNVUSSQSA-N	208.286	1.998	50	40	BDGB	
C[C@@H](Cl)C(=O)NC1(C#N)CCCCC1	2650128	NORBIVAWQUKFIC-MRVPVSSYSA-N	214.696	1.956	50	40	BDGB	
O=C(Cl)c1cc(O)ccc1[N+](=O)[O-]	95836248	RNKQWIHCUJBPFE-UHFFFAOYSA-N	201.565	1.679	50	40	BDGB	
[C-]#[N+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1	104900042	VCZSDTPKBNTJQJ-ZDUSSCGKSA-N	244.294	1.376	50	40	BDGB	
CN1C[C@@H](Cl)c2sccc2S1(=O)=O	30714442	LKFBXXDBLFUSRL-RXMQYKEDSA-N	237.733	1.662	50	40	BDGB	
CO[Si](OC)(OC)[C@@H]1CC[C@@H]2O[C@H]2C1	256016338	ZQDWUJIBGXKPDZ-VGMNWLOBSA-N	218.325	1.186	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(N)=S)cc1OC	16044469	FRUZDUSVCVJDGL-WEVVVXLNSA-N	248.307	1.897	50	40	BDGB	
Cn1cccc1/C=C1/C(=O)ON=C1CCl	34926748	NDIOEJYJTBMNMK-VMPITWQZSA-N	224.647	1.560	50	40	BDGB	
COc1ccccc1OC1=CC(=O)OC1=O	8439381	PWRHXJAAEJCHMV-UHFFFAOYSA-N	220.180	1.041	50	40	BDGB	
O=Cc1ccc(CBr)nc1	199563991	NMNJWXQEKPTCSN-UHFFFAOYSA-N	200.035	1.789	50	40	BDGB	
O=C/C=C(\C(=O)O)N1CCOc2ccccc21	1504308199	HBHNDGCWGXUVSD-BJMVGYQFSA-N	233.223	1.053	50	40	BDGB	
COC(=O)Cc1csc(NC(=O)CCl)n1	3298665	FGTQVOQSRPCNHN-UHFFFAOYSA-N	248.691	1.036	50	40	BDGB	in-vitro
Cc1cc(C)n(CCCNC(=O)[C@H](C)Cl)n1	35411961	SVBXHPQYOJESIT-JTQLQIEISA-N	243.738	1.634	50	40	BDGB	
NNC(=O)c1cc(Cl)ccc1Br	2580651	JAHPQXFJXJVZIZ-UHFFFAOYSA-N	249.495	1.706	50	40	BDGB	
O=S1(=O)[C@@H]2CCCC[C@@H]1[C@@H](Cl)[C@@H]2Cl	101044276	XCLTYUCRBZFSLL-WCTZXXKLSA-N	243.155	1.941	50	40	BDGB	
CCOC(=O)/C(C#N)=C\c1ccc(O)cc1	4579102	HRBVVSOFSLPAOY-YFHOEESVSA-N	217.224	1.862	50	40	BDGB	biogenic
CC(C)CCNC(=S)NNC(=O)[C@@H]1C[C@H]1C	68414748	LPGCERCAUQQOPA-RKDXNWHRSA-N	243.376	1.184	50	40	BDGB	
CC(=O)N/N=C/c1ccc(N2CCCCC2)o1	409001675	QFFGWVWVPZORKN-UKTHLTGXSA-N	235.287	1.740	50	40	BDGB	
Cn1cccc1/C=N\NC(=O)c1ccco1	32313352	KDUWOJQUECBSSR-WQLSENKSSA-N	217.228	1.382	50	40	BDGB	
COc1ccc(N/C=C(/C#N)C(N)=O)c(OC)c1	101645845	WUYKGZMOKDJYED-FPLPWBNLSA-N	247.254	1.008	50	40	BDGB	
NNC(=O)c1ccc(Cl)c(-n2cccc2)c1	226244771	UOOXIGHXODKCBL-UHFFFAOYSA-N	235.674	1.734	50	40	BDGB	
ClCc1nnc2cc3c(nn12)CCCC3	96530178	OOXOQRMUSSARLO-UHFFFAOYSA-N	222.679	1.742	50	40	BDGB	
CC[C@@H](C)NNC(=O)CCN1CCCCC1	5476295	VXTPYHKDDSXRGL-LLVKDONJSA-N	227.352	1.282	50	40	BDGB	
O=C(NCCCCl)C(Cl)Cl	1794290	ZGGGACOHPHUYCN-UHFFFAOYSA-N	204.484	1.535	50	40	BDGB	
Br[C@@H]1CCO[C@@H]1Br	100076530	SJWJMCVIJLKQIT-DMTCNVIQSA-N	229.899	1.891	50	40	BDGB	
CON(C)C(=O)/C(C#N)=C/c1ccccc1	83291141	VHQFJNOKOZAQEW-DHZHZOJOSA-N	216.240	1.613	50	40	BDGB	
COC(=O)NNC1=CC(=O)CC(C)(C)C1	5851783	DTOKMQCNNXMRSG-UHFFFAOYSA-N	212.249	1.120	50	40	BDGB	
ClCC(CCl)OC[C@@H]1COCO1	5377097	XVEJEMZXMWMYCS-ZETCQYMHSA-N	215.076	1.222	50	40	BDGB	
O=CNNC(=O)Nc1cccc2ccccc12	1639203	AILGPMRVRXMDPB-UHFFFAOYSA-N	229.239	1.622	50	40	BDGB	
CS(=O)(=O)[C@H]1CCCC[C@@H]1SC#N	1768079	BPTWEHOUUDRHON-YUMQZZPRSA-N	219.331	1.556	50	40	BDGB	
O=[N+]([O-])c1ccc([S@](=O)CCl)cc1	6512742	VZKXFNMXBJWQKC-ZDUSSCGKSA-N	219.649	1.899	50	40	BDGB	
C[C@H](Cl)C(=O)NC(=O)Nc1ccccc1	9791133	RJRZEHLMIFTDDK-ZETCQYMHSA-N	226.663	1.962	50	40	BDGB	in-vitro
NC(=O)N/N=C1\C[C@@H]2O[C@H]1c1ccccc12	43761754	BHDFLYLGAQQQKR-ZFRLMCFGSA-N	217.228	1.227	50	40	BDGB	
N#CC1=C(N)N/C(=C/c2ccc(Cl)cc2)C1=O	5479295	RTNYZCPCFVTZLU-BJMVGYQFSA-N	245.669	1.547	50	40	BDGB	
Cc1ccc(C(=O)NNC(=O)C2CCCC2)cn1	40512030	AGPVOIJGEYLZRY-UHFFFAOYSA-N	247.298	1.341	50	40	BDGB	
COC(=O)/C(C#N)=C/c1c(C)nn(C)c1C	20294171	TULPIQCRFRLTLM-WEVVVXLNSA-N	219.244	1.117	50	40	BDGB	
NNC(=O)c1nc2ccc(Cl)cn2c1Cl	1504308205	KHDSWDUHIYDAIK-UHFFFAOYSA-N	245.069	1.245	50	40	BDGB	
O=C(CCl)NSc1ccc([N+](=O)[O-])cc1	3124958	NKLHLQNCIAHFJD-UHFFFAOYSA-N	246.675	1.957	50	40	BDGB	
CO/C(N)=C(C#N)/N=C\c1cccs1	104314204	VBRVHHPCSYPPGE-YNXANDTRSA-N	207.258	1.465	50	40	BDGB	
NNC(=O)c1cccn1-c1ccccc1Cl	223726908	QWDZHOLCPHLXTG-UHFFFAOYSA-N	235.674	1.734	50	40	BDGB	
BrC(Br)C1OCCO1	95612024	NAEXTWGJDYSKQI-UHFFFAOYSA-N	245.898	1.475	50	40	BDGB	
OB(O)c1ccc2c(c1)sc1ccccc12	170024499	NHVNWPIMHDTDPP-UHFFFAOYSA-N	228.081	1.734	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1ccc(Cl)cc1	100004385	KJZDATYEDLQQIQ-OITKXYCYSA-N	230.658	1.976	50	40	BDGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2)n1	343359	XUCFMBMDHNHXHO-UHFFFAOYSA-N	242.282	1.850	50	40	BDGB	
CCOC(=O)NNC(=O)c1cc(C)cc(C)c1	21771431	XGHDTMNANBJFBB-UHFFFAOYSA-N	236.271	1.694	50	40	BDGB	
COc1ccc(C(=O)CCl)c(O)c1OC	1594114	COSMZALMZMAWDG-UHFFFAOYSA-N	230.647	1.831	50	40	BDGB	
COC(=O)[C@@H](Br)C(C)(C)OC	35572439	QIUYHXYZDBIUDY-RXMQYKEDSA-N	225.082	1.348	50	40	BDGB	
O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	104130683	NCIFOAQKJBQKSO-JTLRNRKASA-N	242.230	1.156	50	40	BDGB	
C[C@H](Cl)C(=O)NCCc1ccccc1	3635608	YMKVLIVAWASLAU-VIFPVBQESA-N	211.692	1.973	50	40	BDGB	in-vitro
CC(C)CN(CCC#N)C(=O)CCl	37833763	YBKHCQQVXDRZEW-UHFFFAOYSA-N	202.685	1.623	50	40	BDGB	
CO[Si](C#C[Si](C)(C)C)(OC)OC	196361117	DWLTVWYZHRAYQX-UHFFFAOYSA-N	218.401	1.285	50	40	BDGB	
BrCCCCCn1ccnn1	575435694	DHUKRGBJABJXFQ-UHFFFAOYSA-N	218.098	1.843	50	40	BDGB	
C#CCSc1nsc(NC(=O)CCl)n1	13086161	LRKUCQJNGHZRAW-UHFFFAOYSA-N	247.732	1.441	50	40	BDGB	
O=C(N/N=C\c1ccccn1)c1ccco1	13115189	NKMKAANOLLHWLB-JYRVWZFOSA-N	215.212	1.439	50	40	BDGB	
O=C(Cc1cccs1)N/N=C\c1ccncc1	30765777	KEJQCXGOAACJPG-ZROIWOOFSA-N	245.307	1.836	50	40	BDGB	
C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NN	545683	JHOFHSOJIWLDEZ-RXMQYKEDSA-N	248.113	1.784	50	40	BDGB	
ClCc1nnnn1C1CCCCC1	26422828	NZFAKRBFJHGTDE-UHFFFAOYSA-N	200.673	1.917	50	40	BDGB	
CCC(CC)C(=O)NNC(=O)c1ccccn1	3274153	DLXJIWLZZOGSCY-UHFFFAOYSA-N	235.287	1.279	50	40	BDGB	
CC1=C(C)[C@H]2C=CC=C[C@@H]1C2=NNC(N)=O	45070425	MQLNCNWEIJOVDH-AOOOYVTPSA-N	217.272	1.719	50	40	BDGB	
O=C1CCC2(C[C@@H]1Br)OCCO2	95761010	KEYNACNTEZWDJL-LURJTMIESA-N	235.077	1.246	50	40	BDGB	
CC1(C)C(C#N)=C(N)OC2=C1C(=O)CCC2	181709	UASBCRVITCMQME-UHFFFAOYSA-N	218.256	1.744	50	40	BDGB	
C/C(=N/NC(=O)COc1ccccc1)C1CC1	13477426	XZCZFWRAYGCZHV-UVTDQMKNSA-N	232.283	1.968	50	40	BDGB	
COC(=O)[C@](Cl)(Br)CCl	1571065	VLOFZLUZKNKBBZ-BYPYZUCNSA-N	235.892	1.728	50	40	BDGB	
COc1ccc(-n2nnnc2CCl)cc1	11920045	ZCEFMZJSIWBAOR-UHFFFAOYSA-N	224.651	1.410	50	40	BDGB	in-vitro
Cc1cc(NC(=O)C(Cl)Cl)no1	2754405	CAQQSVVSXVAOTQ-UHFFFAOYSA-N	209.032	1.725	50	40	BDGB	
CN(C)C1(CNC(=O)CCl)CCCCC1	3445936	ICIGXMKPOAIAKM-UHFFFAOYSA-N	232.755	1.606	50	40	BDGB	in-vitro
CC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21	4894732	MGAFCJQULOZDKA-MUWHJKNJSA-N	232.287	1.934	50	40	BDGB	
Cc1c(C(=O)Cl)cccc1-n1cnnc1	70461704	FOZALNQOVUKDGN-UHFFFAOYSA-N	221.647	1.955	50	40	BDGB	
C/C(=N/NC(=O)c1ccccn1)c1ccccn1	38206498	FBUABJGTWANGLM-YBEGLDIGSA-N	240.266	1.631	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc2c(c1)OCO2	31687230	PEMUCTLZCTUQPL-SDQBBNPISA-N	236.227	1.495	50	40	BDGB	
CC(C)CNC(=O)CI	72226293	RLATVJBYWIOCEK-UHFFFAOYSA-N	241.072	1.194	50	40	BDGB	
NNC(=O)Cc1ccc(C(F)(F)F)cc1	37389025	QWDJAZKQUMSQPQ-UHFFFAOYSA-N	218.178	1.238	50	40	BDGB	
Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1C	408862497	KMGLMJJBVOZGIJ-YHYXMXQVSA-N	203.245	1.034	50	40	BDGB	
C[C@H](Cl)C(=O)Nc1cc(C=O)ccc1O	41104771	ZWTHDASQZCAKGH-LURJTMIESA-N	227.647	1.771	50	40	BDGB	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1cccnc1	5770214	RWYJDWOUEDRYAX-SNVBAGLBSA-N	245.282	1.199	50	40	BDGB	
CCN1CCC(=NNC(=O)c2ccco2)CC1	55008635	YQUGQGAGFLRFRZ-UHFFFAOYSA-N	235.287	1.481	50	40	BDGB	
CCOC(=O)N/N=C/c1cc(C#N)n(C)c1C	7948804	XGHOGOVLJVJPJA-NTUHNPAUSA-N	234.259	1.285	50	40	BDGB	
CCO[C@@H]1OCCC[C@H]1Br	5576149	MKDZXJPQACWMSP-RNFRBKRXSA-N	209.083	1.923	50	40	BDGB	
CCCCNC(=O)Cc1noc(CCl)n1	20283322	XDWRQMKAQFPZFJ-UHFFFAOYSA-N	231.683	1.267	50	40	BDGB	in-vitro
CCOC(=O)/C=C/N(CCCl)CCCl	1694920	ZLLSGXUNKVEPDI-ZZXKWVIFSA-N	240.130	1.843	50	40	BDGB	
O=C(CCl)OC(=O)C(Cl)(Cl)Cl	104151807	FDVNZMBZEYONIV-UHFFFAOYSA-N	239.869	1.665	50	40	BDGB	
NNC(=O)/N=C\c1ccc(Cl)c(Cl)c1	100369196	GIVIBQWXWMJNBC-QCDXTXTGSA-N	232.070	1.996	50	40	BDGB	
Cc1c(/C=C(\C#N)C(N)=O)c2ccccc2n1C	408809642	HGWVIUWSZHVTJK-JXMROGBWSA-N	239.278	1.879	50	40	BDGB	
COc1ccc2[nH]cc(/C=C(\C#N)C(N)=O)c2c1	44902028	SIZPNEAXFAKIMU-XBXARRHUSA-N	241.250	1.569	50	40	BDGB	
COc1ccc([C@H]2NC(=O)NC(C)=C2C#N)cc1	98086440	ZKLARJWZGZQVQM-GFCCVEGCSA-N	243.266	1.847	50	40	BDGB	
N#C/C(=C/Nc1ccc(F)cc1)C(N)=S	101511134	VSWBGMVTQPEGTR-SREVYHEPSA-N	221.260	1.931	50	40	BDGB	
O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2[C@@H]2[C@@H]1[C@@H]3[C@@H]4[C@@H]2Br	102942843	AMHCEXBDUDDEPZ-NEMDUQFYSA-N	239.112	1.707	50	40	BDGB	
C=CCOc1ccc(/C=N/NC(=O)CC#N)cc1	59382712	YTGOWWCKYCWILV-XNTDXEJSSA-N	243.266	1.615	50	40	BDGB	
CN(C)NC(=O)C(C(F)(F)F)C(F)(F)F	2765399	VWVWTUNMSNWVMQ-UHFFFAOYSA-N	238.131	1.320	50	40	BDGB	
COc1cc(F)c([C@@H](O)C#N)cc1OC	95698093	BNBXXCYXZUPYQX-QMMMGPOBSA-N	211.192	1.400	50	40	BDGB	
O=C(CN1CCCCC1)NCCCCl	575424329	ZDTFVGZRORKRAU-UHFFFAOYSA-N	218.728	1.217	50	40	BDGB	
O=C(O)C1=CC=C[C@@H](Br)[N+]1=O	306145203	IWZAAWIFVRILMQ-YFKPBYRVSA-O	219.014	1.025	50	40	BDGB	in-vitro
O=C(CBr)OCCCl	1608760	IMMQJXHXLNAUBZ-UHFFFAOYSA-N	201.447	1.163	50	40	BDGB	
NC(=O)N/N=C1\C[C@@H]2CC[C@H]3CC[C@H]1[C@H]32	43761572	ZIHBTTIOZKHGHZ-PVVNJUDHSA-N	207.277	1.467	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1ccc(F)cc1	40889067	ZMUZQKCWIKPSLT-TWGQIWQCSA-N	204.204	1.479	50	40	BDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)O	16430312	MKUHGIWLUUDGTA-HWKANZROSA-N	208.129	1.179	50	40	BDGB	
CCOC(=O)/C(C#N)=C1\C=C(N)CCC1	17020893	FNUWZZNMDNVUQJ-NTMALXAHSA-N	206.245	1.396	50	40	BDGB	
COC(=O)c1ccc(/C=N/NC(=O)C2CC2)cc1	3576637	LLJAYMIURPFGHC-RIYZIHGNSA-N	246.266	1.333	50	40	BDGB	
CC(=O)[C@@]12CC=C(C#N)O[C@]1(C)N(C)C(=O)CC2	4267743	JCHCAPQIFCIAQJ-STQMWFEESA-N	248.282	1.358	50	40	BDGB	biogenic
O=C(O)c1cc(CCl)c2c(c1)COCO2	7952017	LCWRWKXQOUXGMA-UHFFFAOYSA-N	228.631	1.990	50	40	BDGB	biogenic
NNC(=O)Nc1nc2ccccc2s1	33656972	YLYUBIJVSLAFBP-UHFFFAOYSA-N	208.246	1.292	50	40	BDGB	
CC(C)(C)OC(=O)N1C(C#N)=CS[C@H]1N	71791426	LWFSTJAACYFVAT-ZETCQYMHSA-N	227.289	1.578	50	40	BDGB	
C[C@H](Br)C(=O)NCC1CC1	72207561	PTIUJJLYSVIIJW-YFKPBYRVSA-N	206.083	1.296	50	40	BDGB	
CCOc1cccc(/C=N/NC(N)=O)c1	6351579	YFFVQUAGCQANMF-KPKJPENVSA-N	207.233	1.088	50	40	BDGB	
O=C(NN=C(CCl)CCl)c1ccco1	100244296	QUUWCRBDDBGDHY-UHFFFAOYSA-N	235.070	1.843	50	40	BDGB	
COc1cc(/C=N\NC(=O)C(C)C)ccc1O	58885398	YDPKFOHLHWDTAN-QPEQYQDCSA-N	236.271	1.507	50	40	BDGB	
O=C([C@H](Cl)c1ccccc1)N1CCOCC1	4206743	FCAFIWSACLLPGG-LLVKDONJSA-N	239.702	1.825	50	40	BDGB	
CCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O	64219919	VSPBSYNJXYMUAE-IONNQARKSA-O	236.719	1.328	50	40	BDGB	
O=P(N1CC1)(N1CC1)N1CCc2ccccc21	95567823	ISRKMSSYSYBORQ-UHFFFAOYSA-N	249.254	1.788	50	40	BDGB	
C[C@@H]1[C@@H](Br)C=CS1(=O)=O	12173604	YQFCYPJLLJAPJV-UHNVWZDZSA-N	211.080	1.081	50	40	BDGB	
CC(C)(C)OC(=O)CC(=O)C[C@H](O)CCl	2576809	WLRFCPQXWBDLRG-QMMMGPOBSA-N	236.695	1.277	50	40	BDGB	in-vitro
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(N)=O	96120	LNFJESVRGZTQSZ-HWKANZROSA-N	223.213	1.049	50	40	BDGB	
O=C(N/N=C/c1ccc(F)s1)c1cc[nH]n1	225389845	JUYAGGYGXSIMJK-LFYBBSHMSA-N	238.247	1.374	50	40	BDGB	
N=C(N)c1ccc(CBr)cc1	146433475	WYMJEEPUFSHYLQ-UHFFFAOYSA-N	213.078	1.866	50	40	BDGB	in-vitro
CS(=O)(=O)c1cccc(C(=O)Cl)c1	20248493	BHKRMQZNFPIGNQ-UHFFFAOYSA-N	218.661	1.469	50	40	BDGB	in-vitro
O[C@@H](CCl)COCc1ccccc1	5603345	FJXVYZMGZACQOS-JTQLQIEISA-N	200.665	1.803	50	40	BDGB	
CN1CCC(=NNC(=O)c2ccccc2)CC1	58175158	ABYBUXUOJSVUQG-UHFFFAOYSA-N	231.299	1.498	50	40	BDGB	
N/C(CCl)=N\OC(=O)c1ccsc1	4289141	YJBZJIKBGCOHNI-UHFFFAOYSA-N	218.665	1.416	50	40	BDGB	
C[C@@H](Br)C(=O)NCc1ccco1	41693433	VBKARLYZQNTJRI-ZCFIWIBFSA-N	232.077	1.679	50	40	BDGB	
Cc1ccc2[nH]cc(CC(=O)NN)c2c1	2572405	HRPIIQAHTMPUAF-UHFFFAOYSA-N	203.245	1.009	50	40	BDGB	
C[C@H](O)C(=O)N/N=C/c1cccc(Cl)c1	59515970	NSJKJIBLBOYIHN-NYYVKIQXSA-N	226.663	1.171	50	40	BDGB	
CCOC(=O)c1ccc(CN=C=O)cc1	65335478	SSLSABJQGZBILS-UHFFFAOYSA-N	205.213	1.699	50	40	BDGB	
CS(=O)(=O)[C@H](Cl)C(=O)c1ccccc1	39476346	ZEXIJIGDABUVNK-VIFPVBQESA-N	232.688	1.479	50	40	BDGB	
CCOC(=O)N/N=C\c1ccccc1O	96545044	SRFNPEDVDROBQF-XFFZJAGNSA-N	208.217	1.472	50	40	BDGB	
COC(=O)N/N=C\c1ccccc1OC	5329584	BQCFODNWZNDAJH-XFFZJAGNSA-N	208.217	1.385	50	40	BDGB	
O=[N+]([O-])C(Br)Br	8830542	GQEVYCCMYUNRHJ-UHFFFAOYSA-N	218.832	1.337	50	40	BDGB	in-vitro
CCOC(=O)NNC(=O)c1ccc(C)nc1C	48401335	WFFKKOOIADCBHZ-UHFFFAOYSA-N	237.259	1.089	50	40	BDGB	
N#CC12COC(CI)(C1)C2	1536220444	NLOLKUSPFQNSJF-UHFFFAOYSA-N	249.051	1.494	50	40	BDGB	
CCOC(=O)NNC(=O)c1cc(F)cc(F)c1	21770478	AFHIEMSBJLWORI-UHFFFAOYSA-N	244.197	1.356	50	40	BDGB	
NC(=O)N/N=C\c1cccc2ccccc12	31777945	PGGDPZZBYGQPGJ-ZSOIEALJSA-N	213.240	1.842	50	40	BDGB	
O[C@@H](CCl)COCC#Cc1ccccc1	1564504	GYSFZWCMDVTFEL-LBPRGKRZSA-N	224.687	1.654	50	40	BDGB	
O=C(CCl)NC(=O)C1CCCCC1	6046064	FHCDCXUGRJRJMY-UHFFFAOYSA-N	203.669	1.448	50	40	BDGB	
O=C(CCl)Nc1ccc(F)c(C(=O)O)c1	37012979	DQMPNWVOZNTZBL-UHFFFAOYSA-N	231.610	1.701	50	40	BDGB	
C[C@@H]1C=C[C@H]([C@@H]2CC(=O)OC2=O)C12CC2	68571798	ZNKNMJIBQGFVDL-HRDYMLBCSA-N	206.241	1.678	50	40	BDGB	
BrCCO[C@@H]1CCCOC1	83252721	CHNDBVHKKLUBCO-SSDOTTSWSA-N	209.083	1.577	50	40	BDGB	
C[C@@H](Br)C(=O)Nc1ccnn1C	160079	BMSHIAGZLYWTTM-RXMQYKEDSA-N	232.081	1.142	50	40	BDGB	
O=C(N/N=C\c1ccccc1F)c1ccncc1	5663020	ZOENMAIIAUYBFV-SXGWCWSVSA-N	243.241	1.985	50	40	BDGB	
NC(=O)N/N=C\CSCc1ccccc1	17302104	YUGJTRXFJHXFFM-SDQBBNPISA-N	223.301	1.574	50	40	BDGB	
C/C=C(/C)C(=O)N/N=C/c1cccnc1	138194	NWCFRBCENZSHIF-CTIKDXGYSA-N	203.245	1.498	50	40	BDGB	
N#CCC(=O)N/N=C/CCc1ccccc1	4199263	CEQUIFMFTCDPQS-GXDHUFHOSA-N	215.256	1.635	50	40	BDGB	
O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1ccccn1	6342852	JOMMGSHZFUTLSY-HAMRDXTISA-N	229.283	1.987	50	40	BDGB	
O=C(Br)C(F)(F)C(F)F	2524527	WOIKLZSATNQUPR-UHFFFAOYSA-N	208.936	1.808	50	40	BDGB	
CC(C)(C)CC(=O)NNC(=O)c1ccco1	13006351	FSCZHAGJRLARAM-UHFFFAOYSA-N	224.260	1.477	50	40	BDGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccco1	4646342	YKSLVXUPCZDIFI-JIBFJXAJSA-N	216.240	1.961	50	40	BDGB	
O=C1C=C(c2ccc(Cl)cc2)C(=O)O1	95696868	BSZGHMTWYIUDFZ-UHFFFAOYSA-N	208.600	1.807	50	40	BDGB	in-vitro
NNC(=O)c1ccc(OCc2cccnc2)cc1	226321061	VMOGVKPXUDLDEF-UHFFFAOYSA-N	243.266	1.264	50	40	BDGB	
CCOc1ccc(/C=N/NC(C)=O)cc1OC	1754161	VVHAANXJOVOOSD-MDWZMJQESA-N	236.271	1.564	50	40	BDGB	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN	3289678	IFXMCAILWJWOMM-MRVPVSSYSA-N	242.706	1.714	50	40	BDGB	
CC(C)(C)NCC(=O)N/N=C/c1cccs1	408721298	OCCDEXDXDKVIPX-NTUHNPAUSA-N	239.344	1.586	50	40	BDGB	
BrC[C@H]1CC(c2ccccn2)=NO1	217844337	RUWIOEDAIIHJBJ-SSDOTTSWSA-N	241.088	1.970	50	40	BDGB	
CC(C)(C)OC(=O)N1CCC(N=C=O)CC1	90645984	FTILVURMLRFBRO-UHFFFAOYSA-N	226.276	1.722	50	40	BDGB	
COC(=O)/C(C#N)=C/C=C(\O)C(F)(F)F	100126989	FMJSRACLPNDETF-JGJYBARTSA-N	221.134	1.614	50	40	BDGB	
CC[C@H](C)NC(=O)CCBr	41699166	VQEBXCHILJRJHK-LURJTMIESA-N	208.099	1.686	50	40	BDGB	
CC/C(=N/NC(=O)NN)c1ccc(Cl)cc1	17376950	XNNYICUBCYIJPG-ZROIWOOFSA-N	240.694	1.627	50	40	BDGB	
CCC(=O)NNC(=O)c1ccc(Cl)cc1	246610	UUKITBWDCOZWNI-UHFFFAOYSA-N	226.663	1.511	50	40	BDGB	
NC(=O)N/N=C1\C[C@@H]2O[C@@H]1c1ccccc12	102318594	BHDFLYLGAQQQKR-VGWHCWDISA-N	217.228	1.227	50	40	BDGB	
CCN(C[C@@H]1CCCCN1C)C(=O)CCl	79406558	WIMFDFPEDXYGME-JTQLQIEISA-N	232.755	1.558	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1ccco1	40889281	WSYLDNZQNXLKEB-TWGQIWQCSA-N	204.229	1.711	50	40	BDGB	
CC(C)/C=N/NC(=O)c1ccccc1O	5293670	VEALDBHQABYMSD-KPKJPENVSA-N	206.245	1.764	50	40	BDGB	
CC1=C(C)C(C#N)=C(C#N)C(=C(C#N)C#N)N1	100253097	VGCRQOKQCOXTCX-UHFFFAOYSA-N	221.223	1.529	50	40	BDGB	
N#CC(C(=O)N1CCCC1)=C(S)S	100956481	XKSDIFMRAUBAEQ-UHFFFAOYSA-N	214.315	1.204	50	40	BDGB	
Cc1cccc(OCC(N)=C(C#N)C#N)c1	64220172	QWDCEQZZCFXIOE-UHFFFAOYSA-N	213.240	1.634	50	40	BDGB	
O=S1(=O)C[C@@H](Cl)[C@@H](c2ccccc2)C1	217423089	IWUFLETVBZLURO-NXEZZACHSA-N	230.716	1.806	50	40	BDGB	
C[C@H](O)C1CCN(CCCCl)CC1	90413007	WFUZRDMYGIZKJD-VIFPVBQESA-N	205.729	1.708	50	40	BDGB	
Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1	45727	HJOFGXWSPOABAJ-CXUHLZMHSA-N	240.266	1.428	50	40	BDGB	
BrC[C@@H]1C[n+]2ccccc2O1	16448885	ZVHXYQBJYPPGRL-SSDOTTSWSA-N	215.070	1.130	50	40	BDGB	
C[C@H](Cl)C(=O)NC(=O)NCC(F)(F)F	34939367	MWWZRXPYACBMPS-VKHMYHEASA-N	232.589	1.002	50	40	BDGB	in-vitro
COc1ccc(S(=O)(=O)SC)cc1N	5174297	TYGKGRQLVCBBPO-UHFFFAOYSA-N	233.314	1.329	50	40	BDGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)NC(=O)CO2	6658967	PNVHGKHTYWDTJD-LURJTMIESA-N	239.658	1.828	50	40	BDGB	
Cc1ccc(C(=O)Cl)cc1-n1cnnc1	70461709	ZISOOVGZCWONTR-UHFFFAOYSA-N	221.647	1.955	50	40	BDGB	
CN1CCN(CCCCBr)CC1	40989666	POXILQLTXGOWEW-UHFFFAOYSA-N	235.169	1.409	50	40	BDGB	
O=C(NNc1ccc(F)cc1)c1ccc[nH]1	61195460	FFHSTRCHTSEUGG-UHFFFAOYSA-N	219.219	1.911	50	40	BDGB	
CCO[Si](CC[C@@H]1CO1)(OCC)OCC	196965225	QMBSEKLOGVDBLD-SNVBAGLBSA-N	234.368	1.824	50	40	BDGB	
O=C/C(=C\O)c1cc(C(=O)O)ccc1[N+](=O)[O-]	153806	KCVPQUFRMLPEHX-QPJJXVBHSA-N	237.167	1.391	50	40	BDGB	
O=C(N/N=C/c1ccccc1O)C(F)(F)F	12341761	KYAULHVCLMZWIK-WLRTZDKTSA-N	232.161	1.405	50	40	BDGB	
CC(C)(C)OC(=O)[C@@H]1CC/C(=C\C#N)CO1	1565504796	LAGGCXGVNHTNEP-ZKXNXJMVSA-N	223.272	1.957	50	40	BDGB	
N#CC1=C(N)N(c2ccc(F)cc2)C(=O)C1	545969	PQDZIGMWAOVMQU-UHFFFAOYSA-N	217.203	1.256	50	40	BDGB	
CCOc1cc(/C=N\NC(=O)CC#N)ccc1O	104344624	LXOVGNQYLARTNL-ZSOIEALJSA-N	247.254	1.155	50	40	BDGB	
CN1CCN(c2ccc(C(=O)Cl)cc2)CC1	35962956	QUHFMFPTVRJESL-UHFFFAOYSA-N	238.718	1.817	50	40	BDGB	
COc1cc(C(=O)Cl)c(OC)c([N+](=O)[O-])c1	57340015	FWRZJTZTYRFLDD-UHFFFAOYSA-N	245.618	1.991	50	40	BDGB	
CC(=O)N/N=C/c1cc2c(cc1Cl)OCO2	409008879	OHZXPSJQBXVLDX-UUILKARUSA-N	240.646	1.539	50	40	BDGB	
CC1=C(C#N)O[C@H](N2CCCC2=O)CC1	4267402	WHXFATBVWKFXJZ-NSHDSACASA-N	206.245	1.543	50	40	BDGB	biogenic
CC(C)(C)CC(=O)NNC(=O)c1ccccc1	17170769	XXBLYELZKZUYFN-UHFFFAOYSA-N	234.299	1.884	50	40	BDGB	
C[C@@H](C(=O)NCCCCl)N1CCCC1	575423394	MTZGPSIZHNDVFI-VIFPVBQESA-N	218.728	1.216	50	40	BDGB	
CSc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1	59444539	BQAZVXREHFHMBE-LQGZHCLWSA-N	238.312	1.239	50	40	BDGB	
COc1cccc(/C=C(/C#N)C(=O)O)c1	12409084	IMEFWVUNBYJXKG-UITAMQMPSA-N	203.197	1.687	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	59333583	YLQZZCSHZYSLDO-YFHOEESVSA-N	216.240	1.387	50	40	BDGB	
COc1cc(C)c([C@@H](O)C#N)cc1OC	68568822	PEGKZPBQCAZCKW-VIFPVBQESA-N	207.229	1.569	50	40	BDGB	
NC(=O)c1ccsc1NC(=O)CCCl	12505121	ZVQRKXCWWIVCSS-UHFFFAOYSA-N	232.692	1.414	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)NC1CCCCC1	3277799	OQFYKJXOOAHKPK-SSDOTTSWSA-N	232.711	1.772	50	40	BDGB	
CCOc1cc(/C=C(\C#N)C(=O)OC)ccc1O	3318707	AMWJHLGJFDDGBL-UXBLZVDNSA-N	247.250	1.871	50	40	BDGB	
O=C(Cl)CCS(=O)(=O)c1ccccc1	11895983	QPZGKMLYCRNKCK-UHFFFAOYSA-N	232.688	1.616	50	40	BDGB	
CCNC(=S)NNC(=O)c1ccccc1C	4545583	SDISVUZRAMTIGC-UHFFFAOYSA-N	237.328	1.124	50	40	BDGB	
Oc1cc(O)cc(CBr)c1	60294347	BWXAUWJMUAOSLG-UHFFFAOYSA-N	203.035	1.993	50	40	BDGB	
CCC(=O)NNC1=CC(=O)CC(C)(C)C1	5241523	ZCBKEQJZRRTQKH-UHFFFAOYSA-N	210.277	1.290	50	40	BDGB	
O=C1C(Cl)=C(Cl)C2(OCCO2)[C@H]1Cl	92658	GZCBOFSKFCOGTM-LURJTMIESA-N	243.473	1.609	50	40	BDGB	biogenic
COc1ccccc1C(=O)NN=C(C)C	4155391	DNBLHXOQRQWUHW-UHFFFAOYSA-N	206.245	1.821	50	40	BDGB	
CC(=O)N(N=O)c1cccc([N+](=O)[O-])c1	4975077	KNQUQQCKTUWIKD-UHFFFAOYSA-N	209.161	1.629	50	40	BDGB	
C[C@H](Cl)C(=O)Nc1sccc1C(N)=O	8390454	SUSBMDAZHNHZKS-BYPYZUCNSA-N	232.692	1.413	50	40	BDGB	
COc1cccc(/C=N/NC(=O)C(C)C)c1O	18194418	JUQPYUXDMPDMKR-NTUHNPAUSA-N	236.271	1.507	50	40	BDGB	
CC[C@@H](C)NC(=O)CCBr	41699165	VQEBXCHILJRJHK-ZCFIWIBFSA-N	208.099	1.686	50	40	BDGB	
O=C(c1cnccn1)N1CCC[C@H](CCl)C1	44029827	VKMFFENXBVUSMC-SECBINFHSA-N	239.706	1.568	50	40	BDGB	
O=C(Cl)[C@H]1CC(=O)N(c2cccnc2)C1	45953123	DWAGXLWWXDHYJG-ZETCQYMHSA-N	224.647	1.200	50	40	BDGB	
O=S1(=O)[C@H]2CC=C[C@H]1CC[C@H]2Cl	104145534	ZEAOMAZLLAHTAP-RNJXMRFFSA-N	206.694	1.500	50	40	BDGB	
CC(=O)NN(Cc1ccccc1)C(C)=O	60189520	MKEUACOWXGOKIS-UHFFFAOYSA-N	206.245	1.086	50	40	BDGB	
Cc1ccc(F)c2c(OCC(=O)NN)ccnc12	64874864	SVRRBDRJZFPPSP-UHFFFAOYSA-N	249.245	1.051	50	40	BDGB	
O=C1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@@H]([C@@H]42)[C@@H]5Br	195529077	AMHCEXBDUDDEPZ-UPQSKNHNSA-N	239.112	1.707	50	40	BDGB	
C=C(C#N)[C@@H](O)c1cccc([N+](=O)[O-])c1	20064324	QWFADYMZFDPSSG-SNVBAGLBSA-N	204.185	1.708	50	40	BDGB	
Cc1cc(C)cc(C(=O)NNC(=O)C(C)C)c1	496853	YQWIATOZTMEBHQ-UHFFFAOYSA-N	234.299	1.720	50	40	BDGB	
O=C(CCl)NCC#Cc1ccccc1	62132648	HYXLZQHFKKZOSO-UHFFFAOYSA-N	207.660	1.393	50	40	BDGB	in-vitro
O=C(C[n+]1ccccc1)N/N=C/c1ccccc1	2705179	VATDYCFUFPWCRK-RVDMUPIBSA-O	240.286	1.124	50	40	BDGB	
CSC(=C(C#N)C#N)N1CCSCC1	73667273	DVYHBBAKKWFJGG-UHFFFAOYSA-N	225.342	1.657	50	40	BDGB	
CC(C)N1CCN(CCBr)CC1	40991018	SHWZQRPRGHDKKN-UHFFFAOYSA-N	235.169	1.407	50	40	BDGB	
CC1=C(Cl)[C@@H](Br)OC1=O	256050016	CIBNTRNPASUIPG-BYPYZUCNSA-N	211.442	1.777	50	40	BDGB	
O=C(Cl)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Cl	100075047	KANQIAARVSWKKG-GBNDHIKLSA-N	219.067	1.956	50	40	BDGB	
O=C(NN=C1CCCCC1)c1n[nH]c2c1CCC2	336161	ARGPXVCXXCPFLV-UHFFFAOYSA-N	246.314	1.948	50	40	BDGB	
O=C(NCCCl)C(Cl)(Cl)Cl	1684768	DAZVBXJVZMFSET-UHFFFAOYSA-N	224.902	1.712	50	40	BDGB	
COc1cc(C(=O)CCl)ccc1O	1681968	ZYISHMORGJQMEO-UHFFFAOYSA-N	200.621	1.822	50	40	BDGB	
O=C(CCl)Oc1ccc(C(=O)O)cc1	1747042	IOXXBAQTEKAFQJ-UHFFFAOYSA-N	214.604	1.529	50	40	BDGB	
CCOC(=O)[C@@H]1[C@H](/C=C(\C)C=O)C1(C)C	59866122	NZCQSUAYJCWCDR-OKJFYCPLSA-N	210.273	1.967	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\c1ccccc1	96765692	KYPFWHSGXVTJJG-YFHOEESVSA-N	207.254	1.596	50	40	BDGB	
O=C1OC(=O)[C@@H]2CCCC3CCC[C@H]1C32	73370058	WDIMUBDLUKCUID-XWJSGITJSA-N	208.257	1.902	50	40	BDGB	
CCCCC(=O)N/N=C\c1ccc(O)cc1O	17424260	UTABSRCUIZJNJU-JYRVWZFOSA-N	236.271	1.738	50	40	BDGB	
C/C(CC[C@@H](CC(=O)O)C(C)C)=N\NC(N)=O	5104399	CTGNZQZUICOFQC-ITTMYVLYSA-N	243.307	1.558	50	40	BDGB	
CC1(C)[C@H]2CC[C@]1(C)C/C2=N/NC(N)=O	4151000	YMPPVYVPKPLDFH-DJSDCQQTSA-N	209.293	1.857	50	40	BDGB	
ClCc1nnc(C2CCOCC2)o1	60394285	MEGVEHWEDMXWOL-UHFFFAOYSA-N	202.641	1.702	50	40	BDGB	
CCOc1ccc(/C=N\NC(N)=O)cc1	33385595	RKQZGUCVHIWKTN-GHXNOFRVSA-N	207.233	1.088	50	40	BDGB	
OB(O)c1cccc(-c2cccc(Cl)c2)c1	196955113	JMYLBKPHIHRJDY-UHFFFAOYSA-N	232.475	1.687	50	40	BDGB	
NC(=O)[C@@H](Br)Cc1ccccc1	67300050	BJESFDVRFIKQGR-QMMMGPOBSA-N	228.089	1.478	50	40	BDGB	in-vitro
CCN(CC)P(N)(=O)N(CC)CC	102131578	DDAMZISUFFUZHM-UHFFFAOYSA-N	207.258	1.737	50	40	BDGB	
Cc1cc(O[C@@H](C)C(=O)NN)c2ccccc2n1	98087189	XNBCACCOZHMMOS-VIFPVBQESA-N	245.282	1.300	50	40	BDGB	
CC[C@@]12C[C@@H](Br)[C@@H](C1)OC2=O	5046502	VHORWKDEFXZKPP-ATRFCDNQSA-N	219.078	1.866	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	1792316	MFCBDUBPBZVGIX-DHZHZOJOSA-N	246.266	1.062	50	40	BDGB	
Cn1ccc(NC(=O)C(Cl)Cl)n1	2771074	PUNPHSDKLFTXRX-UHFFFAOYSA-N	208.048	1.162	50	40	BDGB	
COc1cc(CNC(=O)CCl)cc(OC)c1	61997376	RRTLWMBPEXJMGP-UHFFFAOYSA-N	243.690	1.559	50	40	BDGB	
Cc1ccc(C)n1-c1ccc(C(=O)NN)s1	3223604	XMPPFFMSMLLXOG-UHFFFAOYSA-N	235.312	1.759	50	40	BDGB	
COC(=O)NNC(=S)Nc1ccccc1	8685035	UROUUNKYTALZBU-UHFFFAOYSA-N	225.273	1.244	50	40	BDGB	
O=C(CCl)Cc1ccc([N+](=O)[O-])cc1	34123027	ZUAOQAVSDJXJRR-UHFFFAOYSA-N	213.620	1.945	50	40	BDGB	
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(F)cc1	12623026	VYFXJZDLUYQMMK-XVKPBYJWSA-N	236.246	1.243	50	40	BDGB	
CCCC(O)(CCC)/C(C)=N\NC(N)=O	17107551	KLQLQHBEXABVAU-WQLSENKSSA-N	215.297	1.362	50	40	BDGB	
C/C(=N/NC(=O)c1cnccn1)c1cccnc1	351694	NLGBUXQRIDFUAA-SXGWCWSVSA-N	241.254	1.026	50	40	BDGB	
O=C(CCl)N1[C@@H]2CC[C@@H]1c1snnc1C2	100492671	SSNZTGQSRRFBID-IYSWYEEDSA-N	243.719	1.365	50	40	BDGB	
CCOC(=O)NNC(=O)C[C@@H]1C=CCC1	36656026	JYYBLQJJDROROX-MRVPVSSYSA-N	212.249	1.120	50	40	BDGB	
CC(C)=NNC(=O)c1cc(O)ccc1O	16958011	SMRLSVZFXZVNKG-UHFFFAOYSA-N	208.217	1.223	50	40	BDGB	
CCN(CC)C(=O)N(N)c1ccccc1	39290494	WEDOVNZXDCWDAU-UHFFFAOYSA-N	207.277	1.829	50	40	BDGB	
COc1c(C)c[n+]([O-])c(CCl)c1C	77285748	LWEDMPDRWLOJDD-UHFFFAOYSA-N	201.653	1.684	50	40	BDGB	in-vitro
O=C(NCCCl)N[C@H]1C[C@@H]2CC[C@H]1C2	4900773	SYLXUMNNMPYKQK-VGMNWLOBSA-N	216.712	1.713	50	40	BDGB	
CC[C@@H](C)[C@H](NC(=O)C(Cl)Cl)C(=O)O	1608640	RWSLEAKLDZVALS-UHNVWZDZSA-N	242.102	1.406	50	40	BDGB	
CC[C@@](C)(O)C#CCOCOCCCl	3163240	VRNLNQKCDSVAJL-SNVBAGLBSA-N	220.696	1.380	50	40	BDGB	
COc1ccc2c(c1)[C@@H](C(C)=O)C(=O)OC2=O	100411266	NJCYEMDJSJLAGJ-SNVBAGLBSA-N	234.207	1.065	50	40	BDGB	
CC(C)Oc1ccc(C(=O)NN)cc1Cl	113703803	AROHWUFEWBBBFH-UHFFFAOYSA-N	228.679	1.731	50	40	BDGB	
C[C@@]12CC[C@](CN)(O1)[C@H](Cl)C(=O)[C@@H]2Cl	100351598	SZZBBLJVLKKXTG-UYXSQOIJSA-N	238.114	1.051	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccccc1	4814070	DLECQEQFHPTXPM-GXDHUFHOSA-N	227.267	1.789	50	40	BDGB	
Cc1cccc(/C=C(\C#N)C(=O)N2CCCC2)n1	409370730	ARWUJVUDVPCHAU-FMIVXFBMSA-N	241.294	1.919	50	40	BDGB	
ICC1CCNCC1	72194510	SDXYNMWHONWNCE-UHFFFAOYSA-N	225.073	1.421	50	40	BDGB	
OCC1CCN(CCCCCl)CC1	43646678	NSSFHYTUJPCFQE-UHFFFAOYSA-N	205.729	1.710	50	40	BDGB	
CCOC(=O)C#CCO[Si](C)(C)C	196341474	TYKGOIUOOCPLLA-UHFFFAOYSA-N	200.310	1.404	50	40	BDGB	
O=[P@@]1(CCBr)NCCCO1	5600038	UPOIQLNLPQJYHT-SNVBAGLBSA-N	228.026	1.584	50	40	BDGB	
CC(=O)N/N=C/c1c(F)cccc1Cl	5631756	XBNYAUVTIPBGMJ-LFYBBSHMSA-N	214.627	1.949	50	40	BDGB	
COCCCNC(=O)/C(C#N)=C/c1ccncc1	6210023	PNBNJSNMDBIEJA-FMIVXFBMSA-N	245.282	1.141	50	40	BDGB	
COc1ccc2ccccc2c1/C=N/NC(N)=O	3572431	KVLZGWMPRSAAGT-OVCLIPMQSA-N	243.266	1.851	50	40	BDGB	
COC(=O)c1ccc(NC(=O)CCl)nc1	83356382	FMJWRDYPMDUBOE-UHFFFAOYSA-N	228.635	1.046	50	40	BDGB	
NC(=O)N/N=C1/CCCCc2ccccc21	17224067	ZGVPGUWXAWGLFP-KAMYIIQDSA-N	217.272	1.785	50	40	BDGB	
CN1Cc2ccc3c(c2C=C1C=O)OCO3	95470430	SIBYKDZDNXQJAV-UHFFFAOYSA-N	217.224	1.401	50	40	BDGB	
C[C@@]12CN(Cc3ccccc3)C[C@H]1C(=O)OC2=O	101711311	AZESXJFLIKBPPG-SMDDNHRTSA-N	245.278	1.208	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1F	59333826	RORHOVBTPTWSLP-YFHOEESVSA-N	218.231	1.821	50	40	BDGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccs1	802611	GOWNFNQHTXTTLT-XBXARRHUSA-N	226.264	1.915	50	40	BDGB	
C=CCc1cccc(/C=C(/C#N)C(N)=O)c1O	4263357	RHFVQVDXWIVZHI-XFFZJAGNSA-N	228.251	1.513	50	40	BDGB	
O=C(CCl)Nc1nnc(-c2ccccc2)o1	3269739	UJFXQIOIPBNGOQ-UHFFFAOYSA-N	237.646	1.914	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1cccc(O)c1	3308387	XFJQXXVUHXGNEX-YRNVUSSQSA-N	246.266	1.062	50	40	BDGB	
C/C(=N\NC(=O)c1cnccn1)c1ccco1	12362577	HFDJHWFEJUMYII-RIYZIHGNSA-N	230.227	1.224	50	40	BDGB	
O=C(NNC(=O)C1CCC1)C1CCCC1	32827453	VPKPKVDCROHNLY-UHFFFAOYSA-N	210.277	1.124	50	40	BDGB	
CCCC/C(C)=N/NC(=O)C(=O)NC(C)(C)C	59516006	ZPUJOHOYHNLZKB-NTEUORMPSA-N	241.335	1.583	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1ccccc1	11638421	BHPFYQSVJOZVGK-UHFFFAOYSA-N	206.245	1.104	50	40	BDGB	
O=C(CCl)N1CCSc2ncccc21	90495922	HLCNKKUVFJSMBU-UHFFFAOYSA-N	228.704	1.759	50	40	BDGB	
O=C(CCl)Nc1cncc(Cl)n1	91364271	AGMGAVIKUPBBNT-UHFFFAOYSA-N	206.032	1.307	50	40	BDGB	
Cc1ccc(/C=N\NC(=O)c2ccccc2N)o1	17206992	YLGASCHQDZGRGK-NVNXTCNLSA-N	243.266	1.934	50	40	BDGB	
O=C(CBr)NCC1CCCC1	41698982	FVIBJKKNTFHFHY-UHFFFAOYSA-N	220.110	1.688	50	40	BDGB	
N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)C(N)=S	100358957	YKYSXDCDZDUNCP-SREVYHEPSA-N	248.267	1.700	50	40	BDGB	
CC(C)COc1ccc(CC(=O)NN)cc1	63110923	PLYKLQRNDLKGJY-UHFFFAOYSA-N	222.288	1.254	50	40	BDGB	
COc1ccc2nc(C)cc(C(=O)NN)c2c1	82468884	KRKOPQUHDPVJIV-UHFFFAOYSA-N	231.255	1.155	50	40	BDGB	
ClCc1csc(CN2CCOCC2)n1	36805329	AVSKFSOBUCAWQA-UHFFFAOYSA-N	232.736	1.714	50	40	BDGB	
NCc1ccc(OCCBr)cc1	90627873	FCOJXIIXZZGSSL-UHFFFAOYSA-N	230.105	1.919	50	40	BDGB	
Cc1ccsc1C(=O)NNC(=O)C1CC1	40459946	CVLKWSPNTKLXLZ-UHFFFAOYSA-N	224.285	1.228	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1ccncc1	104213119	RXNIVLRFGGMMQG-HJWRWDBZSA-N	217.228	1.464	50	40	BDGB	
CC(=O)NNC1=Nc2ccccc2N(C)CC1	4661262	FQSGPNWLWFWHOZ-UHFFFAOYSA-N	232.287	1.197	50	40	BDGB	
O=C(N/N=C\c1ccc[nH]1)c1cccnc1	73017874	CVRFMLMGRCWLQD-ZSOIEALJSA-N	214.228	1.174	50	40	BDGB	
O=C1[C@@H]2[C@H]3[C@@H](Br)[C@H]4[C@@H]5C[C@H]([C@@H]14)[C@@H]2[C@@H]35	245263908	BMBLHKXXRVKSGM-CUVVFODMSA-N	239.112	1.707	50	40	BDGB	
CO[Si](CC[C@H]1CC[C@@H]2O[C@@H]2C1)(OC)OC	169746971	DQZNLOXENNXVAD-OUAUKWLOSA-N	246.379	1.822	50	40	BDGB	
N#CC(=Cc1ccc(Cl)cc1)C(N)=O	2049269217	CXTSJKVCXQOGCX-UHFFFAOYSA-N	206.632	1.732	50	40	BDGB	
O=C(CCl)NC(=O)c1ccccc1Cl	3277797	LXMGWCSUYICVQI-UHFFFAOYSA-N	232.066	1.835	50	40	BDGB	
CC(C)CCNC(=O)NNC(=O)c1ccccc1	45128032	OJDUADOKQOYJCX-UHFFFAOYSA-N	249.314	1.677	50	40	BDGB	
COC(=O)c1cccc(C)c1NC(=O)CCl	59745860	KOZRUXYBWBKQSF-UHFFFAOYSA-N	241.674	1.959	50	40	BDGB	in-vitro
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1cccnc1	4646973	JYWATBJXVPZQPY-YZBKDBNDSA-N	227.267	1.763	50	40	BDGB	
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCl	307761599	DJMBYTZLJJXZFZ-JTQLQIEISA-N	236.702	1.846	50	40	BDGB	
N#C/C(=C/c1cn(-c2ccccc2)nn1)C(=O)O	739062211	KUNNJUDCBYUTSH-TWGQIWQCSA-N	240.222	1.259	50	40	BDGB	
Cc1nn(C(=O)CCl)c(C)c1[N+](=O)[O-]	369681	CQBQWELALFYZHY-UHFFFAOYSA-N	217.612	1.287	50	40	BDGB	
N#CCN(C(=O)CCl)c1ccccc1	3394967	FOGRDENMFKZPOV-UHFFFAOYSA-N	208.648	1.782	50	40	BDGB	in-vitro
O=C(CCl)N1CCC[C@@H](Br)C1	100177028	TVBFJRYBFFQTLG-ZCFIWIBFSA-N	240.528	1.611	50	40	BDGB	
CC[C@H](C)n1c(CCOC)ccc1C(=O)NN	226030526	OZTKGZQLWXKTGH-VIFPVBQESA-N	239.319	1.252	50	40	BDGB	
O=C(CCl)OCC[C@@H]1CCCCN1	42768594	CSQALDUHKJLKDV-QMMMGPOBSA-N	205.685	1.301	50	40	BDGB	
O=C(NNc1ccccc1F)C1CCNCC1	228940930	KCVMRYAEFGEHLD-UHFFFAOYSA-N	237.278	1.268	50	40	BDGB	
O=c1cc(CCl)nc(-c2ccncc2)[nH]1	45956704	OZMVEPHRMHCOIA-UHFFFAOYSA-N	221.647	1.571	50	40	BDGB	
COC(=O)/C=C1\CCCCN1C(=O)[C@@H](C)Cl	96528467	MFZZZWVIUWSOQI-KGOFQHAKSA-N	245.706	1.683	50	40	BDGB	
O=C1N[C@H](c2ccc(Cl)cc2)C(=O)O1	238523032	WHURWVDQBCHDLO-SSDOTTSWSA-N	211.604	1.648	50	40	BDGB	
CCc1ccc2c(c1)/C(=N\NC(C)=O)C(=O)N2	8446043	DZAMRARCZOUMCP-UHFFFAOYSA-N	231.255	1.041	50	40	BDGB	
NC(=O)NNC(=O)Nc1cccc2ccccc12	5605011	RMDPLFADKYSMAW-UHFFFAOYSA-N	244.254	1.545	50	40	BDGB	
O=S1(=O)O[C@@H](Cl)c2ccccc21	2141027	LNWUNIOANJTGPG-SSDOTTSWSA-N	204.634	1.643	50	40	BDGB	
O=C1[C@@H](Br)CCN1c1cccnc1	39171057	DJBFZMOHVQWOSD-QMMMGPOBSA-N	241.088	1.582	50	40	BDGB	
Cc1ccc(-c2nnsc2C(=O)NN)cc1	225310170	CNUXLWBFSLHERY-UHFFFAOYSA-N	234.284	1.117	50	40	BDGB	
NC(=O)[C@H](Cl)c1ccc([N+](=O)[O-])cc1	196611709	XKLDNVWIAGLONK-SSDOTTSWSA-N	214.608	1.360	50	40	BDGB	
O=C(CC1CCCC1)NNC(=O)C1CC1	15794299	UJDIZRJDAAWHPE-UHFFFAOYSA-N	210.277	1.124	50	40	BDGB	
CCn1ccc(CN(C)C(=O)CCl)n1	2536514	WCQDOQXIMPEWTL-UHFFFAOYSA-N	215.684	1.100	50	40	BDGB	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CCl	2661405	RZMQRXRWKFLFEN-SFYZADRCSA-N	232.711	1.630	50	40	BDGB	
CCCCNC(=O)NNC(=O)c1cccs1	2652809	JQPMIYURPKBFKL-UHFFFAOYSA-N	241.316	1.492	50	40	BDGB	
O=C(NNC(=O)C1CCC1)c1ccccc1	3549726	NGRQEQYKNBEFFK-UHFFFAOYSA-N	218.256	1.248	50	40	BDGB	
CN(C)C(=O)c1ccc(NC=C(C#N)C#N)cc1	8782294	NCLVLCRQYHULHA-UHFFFAOYSA-N	240.266	1.731	50	40	BDGB	
C/C(O)=C(/C#N)c1nnc2n1CCCCC2	100840821	PRXUHHPZFCLMQM-CMDGGOBGSA-N	218.260	1.817	50	40	BDGB	
CC(C)CC(=O)NNC(=O)CC(C)C	1720145	XYBXIHSGHRYTRV-UHFFFAOYSA-N	200.282	1.226	50	40	BDGB	
O=C(CCl)C(=O)OCc1ccccc1	167607587	WXMIIYQGSSSTOM-UHFFFAOYSA-N	212.632	1.538	50	40	BDGB	
O=C(CCl)Nc1nonc1-c1ccccc1	162940	ROZUWQWIEGEMDZ-UHFFFAOYSA-N	237.646	1.914	50	40	BDGB	
Cn1cccc1/C=C(\C#N)C(=O)NC1CCCC1	16972765	MKAUWAFNEVPDRQ-PKNBQFBNSA-N	243.310	1.991	50	40	BDGB	
O=C(CCl)OCCCCOC(=O)CCl	59969987	YNQCLNBKLRNWSW-UHFFFAOYSA-N	243.086	1.331	50	40	BDGB	
CC(C)CN1C[C@@H](C(=O)Cl)CC1=O	33433011	JUARJBQXKWXSQY-ZETCQYMHSA-N	203.669	1.256	50	40	BDGB	
CCO[Si](CC[C@H]1CO1)(OCC)OCC	196965240	QMBSEKLOGVDBLD-JTQLQIEISA-N	234.368	1.824	50	40	BDGB	
O[C@@H]1C(Cl)=C(Cl)C2(OCCO2)[C@@H]1Cl	4573476	KFAMRXOJSJZHNL-INEUFUBQSA-N	245.489	1.401	50	40	BDGB	
COc1ccc(/C(C)=N/NC(N)=O)c(OC)c1	6512634	NTJHYDZZYDISDC-NTUHNPAUSA-N	237.259	1.096	50	40	BDGB	
COC(=O)c1ccc(CNC(=O)CCl)cc1	3245271	MSDHDGHQLVRHJA-UHFFFAOYSA-N	241.674	1.328	50	40	BDGB	
CNC(=O)NC(=O)[C@H](Cl)c1ccccc1	2647827	KGYZFBRNTLBLLA-MRVPVSSYSA-N	226.663	1.422	50	40	BDGB	in-vitro
Cc1cc(Cl)cc(C)c1OCC(=O)NN	66056274	VOGTZVLWJIBBGI-UHFFFAOYSA-N	228.679	1.326	50	40	BDGB	
CC1=C(C#N)O[C@H](N2CCCC2=O)C[C@@H]1C	4267425	KPYAHKORMFXMTB-UFBFGSQYSA-N	220.272	1.789	50	40	BDGB	biogenic
O=C(O)[C@H](Cl)c1ccc([N+](=O)[O-])cc1	98090361	DMFWSPKIXOHWGL-SSDOTTSWSA-N	215.592	1.959	50	40	BDGB	
C/C(=C/C=N/NC(N)=O)c1ccccc1	1607183	RLOGXRXJCMJVRS-OKFFXAGVSA-N	203.245	1.744	50	40	BDGB	
O=C(Cl)c1scc2c1OCCO2	5177768	ZHPVCHMDVVGUMV-UHFFFAOYSA-N	204.634	1.898	50	40	BDGB	
O=C[C@@H](Br)/C=N/c1nccs1	100446538	AAAXJPLFDZTYTN-QKEWHEQXSA-N	233.090	1.808	50	40	BDGB	in-vitro
CCOC(=O)N/N=C/c1cccc(O)c1	172010	GXSROHNWXDVICS-YRNVUSSQSA-N	208.217	1.472	50	40	BDGB	
O=C1ON=C(CCl)[C@@H]1Cc1ccc(O)cc1	102403980	UZRILJLZDJAQRF-VIFPVBQESA-N	239.658	1.703	50	40	BDGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc[nH]1	409387197	OIEOSDPUFRHTAF-CXUHLZMHSA-N	248.330	1.387	50	40	BDGB	
COc1ccc(C(=O)NN=C(C)C)cc1	5283326	BEAFDHDDQHQFGD-UHFFFAOYSA-N	206.245	1.821	50	40	BDGB	
CC(=O)Nc1ccc(C2=CC(=O)OC2=O)cc1	100023214	AUUIKYKAEDRJIC-UHFFFAOYSA-N	231.207	1.112	50	40	BDGB	
O=C(Cl)C1CCC2(CC1)OCCO2	95930943	RNVLYGFZBWJGTQ-UHFFFAOYSA-N	204.653	1.685	50	40	BDGB	
CN1CCC[C@@H](N(C(=O)CCl)C2CC2)C1	79406723	FHOOJYVEWZIHON-SNVBAGLBSA-N	230.739	1.310	50	40	BDGB	
NNC(=O)c1ccc(Cn2cccc2)cc1	212880163	FSVOQFUROJFKIG-UHFFFAOYSA-N	215.256	1.140	50	40	BDGB	
ClCCCN1CCN(CCCl)CC1	19364792	QPTRATAVQVHORS-UHFFFAOYSA-N	225.163	1.472	50	40	BDGB	
CC(C)(C)OC(=O)N1CCOC[C@H]1CCl	159446488	GMMQLVFFMKDMJC-MRVPVSSYSA-N	235.711	1.861	50	40	BDGB	
CC(C)(C(Cl)Cl)S(=O)(=O)O	1721867	DYDYMSCHKIEBBR-UHFFFAOYSA-N	207.078	1.457	50	40	BDGB	
C/C(=N/NC(N)=O)c1ccc(C)cc1C	4507173	BBMCJKHHVSYPSO-LCYFTJDESA-N	205.261	1.696	50	40	BDGB	
COC(=O)c1cc(Cl)nc(CCl)n1	62701760	DWVKNRSGTMYYFF-UHFFFAOYSA-N	221.043	1.655	50	40	BDGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1ccoc1	95957135	HAANCCDLRSMOHN-VIFPVBQESA-N	234.255	1.397	50	40	BDGB	
O=C(Cl)c1cc(=O)c2cccc(O)c2[nH]1	199559649	VDPCMOSDKAUYPD-UHFFFAOYSA-N	223.615	1.613	50	40	BDGB	
Br[C@@H]1CNC[C@H](Br)C1	100232814	AQKWBBJYFVHMRO-SYDPRGILSA-N	242.942	1.507	50	40	BDGB	
COc1ccc([N+](=O)[O-])c(/C(C=O)=C/O)c1	100071778	KVUMNTHFLUOEPQ-FNORWQNLSA-N	223.184	1.701	50	40	BDGB	
Cc1occc1C(=O)NNC(=O)C1CCCC1	3426549	PUMMTXSQJCWDBZ-UHFFFAOYSA-N	236.271	1.539	50	40	BDGB	
CN1CCC[C@@H](I)C1	79436935	IELOUGOZFCNFEG-ZCFIWIBFSA-N	225.073	1.516	50	40	BDGB	
CC(C)N(C)[C@@H]1CCCC[C@@H]1NC(=O)CCl	79419172	KFRQHTJCURFRJF-WDEREUQCSA-N	246.782	1.993	50	40	BDGB	
CCN(C(=O)CCl)[C@@H]1CCCC[C@H]1N(C)C	79406597	FBHJEFCCGRIVEX-GHMZBOCLSA-N	246.782	1.947	50	40	BDGB	
O=C(CCl)NCc1ccc(Cl)nc1	43220318	PGBDRVRZGZPHNP-UHFFFAOYSA-N	219.071	1.590	50	40	BDGB	
NNC(=O)C(F)(F)Sc1ccccc1	85397051	CTFQWMBHTZGRLP-UHFFFAOYSA-N	218.228	1.361	50	40	BDGB	
CCn1ncc(C2=NO[C@@H](C(=O)Cl)C2)c1C	85347606	WOHOTMKEDSODPL-SECBINFHSA-N	241.678	1.470	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)C(F)(F)C(F)(F)F	115465144	BCSLFGSDBHBISQ-SNAWJCMRSA-N	242.147	1.722	50	40	BDGB	
O=C(CCl)Nc1nnc(C2CC2)o1	20282939	QNGRBBRNODNUHS-UHFFFAOYSA-N	201.613	1.124	50	40	BDGB	in-vitro
COC(=O)c1cc(CNC(=O)CCl)cs1	369354	IXCJUMIKWIRPDJ-UHFFFAOYSA-N	247.703	1.390	50	40	BDGB	
C[C@H]1CN(C(=O)CCl)[C@H](C)CC1=O	72433991	XYSFKXFNBIMWCN-NKWVEPMBSA-N	203.669	1.051	50	40	BDGB	
C[C@H]1CN1[P@](=O)(Nc1ncccn1)N1CC1	100855204	HMPLJIBDNSNMQE-KZUALNCLSA-N	239.219	1.016	50	40	BDGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](C)O)cc1	59515357	IJONZWPJKNLZGI-RSYJBZMQSA-N	248.282	1.082	50	40	BDGB	
O=C(CCl)N1CCC[C@H](Br)C1	100177024	TVBFJRYBFFQTLG-LURJTMIESA-N	240.528	1.611	50	40	BDGB	
O=C(CCl)NC(=O)NCc1cccs1	4218719	GFTJVDPPLMXOTB-UHFFFAOYSA-N	232.692	1.313	50	40	BDGB	
CN(C)/C=N/C(=O)/C(C#N)=C/c1ccccc1	18118656	YUZSKQGHJIYDRW-AMHPPWGGSA-N	227.267	1.710	50	40	BDGB	
O=C(CN(C(=O)CCl)C1CC1)c1ccc[nH]1	79436496	FCWQZVZEXYJFFA-UHFFFAOYSA-N	240.690	1.427	50	40	BDGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C1CC1	31649137	JBEUVAKIVBODGP-GHXNOFRVSA-N	233.227	1.455	50	40	BDGB	
O=C1OC(=O)c2cc(N3CCCCC3=O)ccc21	199791961	KXKODEKQFCESHC-UHFFFAOYSA-N	245.234	1.514	50	40	BDGB	
COC(=O)CCC[C@@H]1O[C@H]1/C=C/C=C\C=O	299888733	VNDZNEGDVPXXAI-SVOLTYPCSA-N	224.256	1.408	50	40	BDGB	
CCOC(=O)N(C)N(C)C(=O)OCC	1579675	LMDVFFHOTJYTLU-UHFFFAOYSA-N	204.226	1.078	50	40	BDGB	
O=C(N/N=C/c1ccsc1)c1ccncc1	3593470	URJHXSYJVDRYHK-NTUHNPAUSA-N	231.280	1.907	50	40	BDGB	
Cc1csc([C@@H](C#N)C(=O)CCl)n1	4206008	PNGLQTHQSOANNR-LURJTMIESA-N	214.677	1.867	50	40	BDGB	in-vitro
NNC(=O)Cc1ccc(-n2cccc2)cc1	27881356	DJTWCUVOEIDFJZ-UHFFFAOYSA-N	215.256	1.010	50	40	BDGB	
O=S(=O)(O)CCCCCBr	65735014	CEZZUAFORKHEDJ-UHFFFAOYSA-N	231.111	1.439	50	40	BDGB	in-vitro
Cc1cc(/C=N/NC(N)=O)ccc1N1CCCC1	5570681	YJSQXHOHEXPQFD-OQLLNIDSSA-N	246.314	1.597	50	40	BDGB	
O=C(CCl)NCCSCc1ccco1	2383423	WCIBPOVANIANTL-UHFFFAOYSA-N	233.720	1.868	50	40	BDGB	
CN(C)NC(=O)Nc1ccccc1[N+](=O)[O-]	4683404	NCSOCNIPAFAXLK-UHFFFAOYSA-N	224.220	1.193	50	40	BDGB	
Cc1cccc(O[C@H](C)C(=O)NNC(C)C)c1	35653714	DKMPDHKSNBKFOR-LLVKDONJSA-N	236.315	1.792	50	40	BDGB	
CCCOc1ccc(/C=N/NC(=O)CC#N)cc1	59382511	SOWZEMXRLIVYIA-XNTDXEJSSA-N	245.282	1.839	50	40	BDGB	
CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	5927002	FJBRCPHBVNDMKK-YFHOEESVSA-N	216.240	1.435	50	40	BDGB	
COc1ccc(-n2cccc2C(=O)NN)cc1	223735926	DCTXVXGDUHUGFA-UHFFFAOYSA-N	231.255	1.089	50	40	BDGB	
CO[Si](C)(CC[Si](C)(OC)OC)OC	196869710	KFGSXJLKKLOVNP-UHFFFAOYSA-N	238.432	1.716	50	40	BDGB	
O=C/C=C(/C(=O)O)N1CCOc2ccccc21	1504308200	HBHNDGCWGXUVSD-YHYXMXQVSA-N	233.223	1.053	50	40	BDGB	
CC(/C=C/c1ccccc1)=N/NC(=O)CN(C)C	5641340	IHGZNSZPOZABHV-ADCBRGLKSA-N	245.326	1.754	50	40	BDGB	
COc1cc(/C=C(/C#N)[N+](=O)[O-])ccc1O	16195970	VFBDDOROPMRGEH-YWEYNIOJSA-N	220.184	1.542	50	40	BDGB	
Br[C@H]1CNC[C@H](Br)C1	100232816	AQKWBBJYFVHMRO-RFZPGFLSSA-N	242.942	1.507	50	40	BDGB	
C[C@H](Br)C(=O)NCc1ccco1	41693431	VBKARLYZQNTJRI-LURJTMIESA-N	232.077	1.679	50	40	BDGB	
BrC[C@H]1CN2CCSC2=N1	332956	JEEUNVXITWIQAP-YFKPBYRVSA-N	221.123	1.168	50	40	BDGB	
ClCCCc1nnnn1-c1ccccc1	32938004	DALGHUJUPOTHSH-UHFFFAOYSA-N	222.679	1.834	50	40	BDGB	in-vitro
CN(C)/C=C(\C#N)N1C(=O)c2ccccc2C1=O	2732437	MRWUQTOLOSSIDI-CMDGGOBGSA-N	241.250	1.209	50	40	BDGB	
CCc1ccc(/C=C(\C#N)C(N)=O)cc1	5477249	WLCFHCBHGZHWGG-YRNVUSSQSA-N	200.241	1.641	50	40	BDGB	
C[C@H](Cl)C(=O)NNC(=O)c1cccc(F)c1	95883588	YTPYMKXXSYHDPC-LURJTMIESA-N	244.653	1.214	50	40	BDGB	
NNC(=O)NCc1cccc(C(F)(F)F)c1	36948044	UYCCSNYUCWJHSH-UHFFFAOYSA-N	233.193	1.378	50	40	BDGB	in-vitro
C=C(C#N)CS(=O)(=O)c1ccc(C)cc1	356652	SDMHKNRXCMIZSA-UHFFFAOYSA-N	221.281	1.849	50	40	BDGB	
C/C=C/C=N/NC(=O)c1ccc(OC)c(OC)c1	2742787	LRHQTKYIHHYSBN-DLBFRJOTSA-N	248.282	1.996	50	40	BDGB	
CCCn1ccc2nc(CCl)cc(=O)n21	12398302	YBHLPNRBYYLHNT-UHFFFAOYSA-N	225.679	1.645	50	40	BDGB	
C[C@@H]1CCC[C@H](NC(=O)NC(=O)CCl)[C@@H]1C	3887962	HMBFDDSLYMRBIX-HLTSFMKQSA-N	246.738	1.876	50	40	BDGB	
COC(=O)/C(C#N)=C\c1cccc(O)c1	4962493	XNXWRKJBJPQBJK-UITAMQMPSA-N	203.197	1.472	50	40	BDGB	
CCOc1cccc(C(=O)NNC(=O)OC)c1	8159281	ZBQNZXYTANHAOM-UHFFFAOYSA-N	238.243	1.086	50	40	BDGB	
CS(=O)(=O)/C(C#N)=C\c1ccc(F)c(F)c1	96765714	ISNDWVINWORYCF-YWEYNIOJSA-N	243.234	1.874	50	40	BDGB	
CN(C)c1ccc(/C=N\NC=O)c(Cl)c1	31686926	DTTLPLBVDCUAQH-SDQBBNPISA-N	225.679	1.486	50	40	BDGB	
OB(O)c1cc(Cc2ccccc2)cs1	198032293	LARLHBSXIPODKP-UHFFFAOYSA-N	218.086	1.019	50	40	BDGB	
O=[N+]([O-])c1ccc(CSS(=O)(=O)O)cc1	6092914	MILSHAWIUIPRBH-UHFFFAOYSA-N	249.269	1.631	50	40	BDGB	
Cc1ccc2c(c1)/C(=N/NC(N)=O)C[C@@H]2C	4266874	QFFIUHBDNPEEOZ-OOQSBHPRSA-N	217.272	1.875	50	40	BDGB	
Cc1ccc(Oc2ccc(B(O)O)cc2)cc1	202555360	AXBNVRIPFXSBOB-UHFFFAOYSA-N	228.056	1.467	50	40	BDGB	
C/C(=N/NC(N)=O)[C@@H]1CCc2ccccc2C1	5539113	OSAGCSVVFPJEPD-PDICVPPASA-N	231.299	1.836	50	40	BDGB	
C[C@H](Cc1ccccc1)NNC(=O)CC#N	1583760	VWXNEVMMUJWVOP-SNVBAGLBSA-N	217.272	1.152	50	40	BDGB	
Cc1cc(C)n(Cc2cccc(C(=O)NN)c2)n1	2578459	XZYXONAHJYYPPT-UHFFFAOYSA-N	244.298	1.152	50	40	BDGB	
CN(C)C(=O)Cc1nc(CCl)cs1	20283857	PEKLALMWHHXMKL-UHFFFAOYSA-N	218.709	1.513	50	40	BDGB	
CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2OCCC[C@@H]21	4267485	VGTJSJZCANETMB-CKYFFXLPSA-N	237.255	1.356	50	40	BDGB	biogenic
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(F)cc1	100223890	SOALIFSSNYGTMQ-BJMVGYQFSA-N	238.225	1.993	50	40	BDGB	
COC(=O)c1cc2c(cc1N=C=S)OCO2	45918755	FSHFVEVRNZWLMB-UHFFFAOYSA-N	237.236	1.936	50	40	BDGB	
CC1(C)CC(=O)[C@@H]2C(CCCl)=NN[C@@H]2C1	228923871	FZSPQGBUUKBNQV-PSASIEDQSA-N	228.723	1.948	50	40	BDGB	
C[C@H]1CN(CCBr)C[C@@H](C)O1	40989700	FZUMZQZVVFIUOM-OCAPTIKFSA-N	222.126	1.491	50	40	BDGB	
C[C@@H]1NN[C@@H](C(F)(F)F)[C@@H]1Br	585665284	RAGJAWZFQWQCFB-PZGQECOJSA-N	233.031	1.177	50	40	BDGB	
Cc1nn(CCCl)c(C)c1C(=O)O	62152050	RXGFXRKWRWNSIX-UHFFFAOYSA-N	202.641	1.437	50	40	BDGB	in-vitro
N/C(CCl)=N\OC(=O)c1ccccc1	4280752	HOUUAIGUOYWWNK-UHFFFAOYSA-N	212.636	1.354	50	40	BDGB	
CO[C@@H](C)CCOC(=O)CBr	2042349	KQNWDIIRTPLEQE-LURJTMIESA-N	225.082	1.350	50	40	BDGB	
O=c1cc([C@H]2CCCO2)nc(CCl)[nH]1	72209930	JHCLDFQFWYJSOS-SSDOTTSWSA-N	214.652	1.360	50	40	BDGB	
NC(=O)N/N=C\c1ccc(Br)o1	17288974	FOGHSNXQLBFKQP-OQFOIZHKSA-N	232.037	1.044	50	40	BDGB	
CC[C@H](C)[C@@H](NC(=O)C(Cl)Cl)C(=O)O	1608643	RWSLEAKLDZVALS-CRCLSJGQSA-N	242.102	1.406	50	40	BDGB	
CC1=CS(=O)(=O)C[C@H]1Br	3865759	DEUTYJVGWAZEKM-RXMQYKEDSA-N	211.080	1.082	50	40	BDGB	
O=C(O)[C@@H](Cl)I	72399593	ORHUCRGLFVRTJV-SFOWXEAESA-N	220.393	1.071	50	40	BDGB	in-vitro
CNC(=O)c1ccc(CBr)cc1	41695851	DEZOBYZCLMFHLC-UHFFFAOYSA-N	228.089	1.941	50	40	BDGB	in-vitro
CCCCN(/C=C/C#N)[C@@H]1CCS(=O)(=O)C1	5614875	YOIWZAPLOVPEBJ-SOZJPDODSA-N	242.344	1.313	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccc(C)cc1	5539407	FIAQRVYKURLKDB-GXDHUFHOSA-N	215.256	1.749	50	40	BDGB	
CN(C(=O)CCl)c1ccc([N+](=O)[O-])cc1	12505024	JAWLWNKATJAODJ-UHFFFAOYSA-N	228.635	1.796	50	40	BDGB	in-vitro
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccco1	4646343	YKSLVXUPCZDIFI-GSHHHWRASA-N	216.240	1.961	50	40	BDGB	
Cc1nc2cc(NC(=O)NN(C)C)ccc2n1C	409149121	XTIFLGJQRPJCBB-UHFFFAOYSA-N	247.302	1.480	50	40	BDGB	
CCCn1nccc1NC(=O)CCl	38341985	VGFIIMADDPCLFZ-UHFFFAOYSA-N	201.657	1.470	50	40	BDGB	in-vitro
CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(N)=O)C2	100045290	QCEFOIDJHJPYIB-FBMYWWAJSA-N	209.293	1.857	50	40	BDGB	
Br[C@H]1COC2(CCNCC2)C1	13609500	RQNCOCBSTBVUCB-SSDOTTSWSA-N	220.110	1.292	50	40	BDGB	
N#C/C(N)=C(C#N)\N=C\c1ccccc1[N+](=O)[O-]	165115	GWSCSOMMIYMXOK-AKUQYVLISA-N	241.210	1.231	50	40	BDGB	
COc1ccc(C(C)=NNC(N)=O)cc1	111715	BDWNPKPUKNYIOF-UHFFFAOYSA-N	207.233	1.088	50	40	BDGB	
CCNC(=O)c1cccc(NC(=O)CCl)c1	8324063	ULTGCJLPHZXKHN-UHFFFAOYSA-N	240.690	1.614	50	40	BDGB	
Cc1sc(C(=O)NN)cc1Br	85393212	DRULJGOBYUSKFC-UHFFFAOYSA-N	235.106	1.423	50	40	BDGB	
ClCc1nnn([C@@H]2CCCCO2)n1	199793624	KIEKKXUIBFJTFB-ZETCQYMHSA-N	202.645	1.111	50	40	BDGB	
O=C1COc2ccc([C@H](O)CCl)cc2N1	96361312	RTTFWKSVQQGLDF-MRVPVSSYSA-N	227.647	1.290	50	40	BDGB	
COc1ccc(C#N)c(CBr)n1	95098107	FUDYGURZHPBJTG-UHFFFAOYSA-N	227.061	1.857	50	40	BDGB	
CC(C)Oc1ccccc1/C=N\NC(N)=O	95938750	ZDXBVLYTQIQSHK-QPEQYQDCSA-N	221.260	1.476	50	40	BDGB	
COC(=O)Cc1ccc(C(=O)CCl)s1	12505639	JEMPMPWJBAEHNE-UHFFFAOYSA-N	232.688	1.885	50	40	BDGB	
N#CCC(=O)N/N=C/c1ccc2c(c1)CCC2	1709563	SKOCQMRINLUPCK-OQLLNIDSSA-N	227.267	1.539	50	40	BDGB	
C#CCN1C(=O)C(=C(C#N)C#N)c2ccccc21	565380	DFBZHHPSVVCIFJ-UHFFFAOYSA-N	233.230	1.467	50	40	BDGB	
CC(C)O[P@](=O)(CCl)OCCO	1581004	XSFSLBAJGQKTEZ-LBPRGKRZSA-N	216.601	1.810	50	40	BDGB	
O=S(=O)(CCl)C(Cl)(Cl)Cl	4403761	WATNRNMXVATJLV-UHFFFAOYSA-N	231.915	1.925	50	40	BDGB	
Cc1ccc(N/C=C(\C#N)C(N)=S)nc1	101637617	JXNPIKZGTRXCDA-SOFGYWHQSA-N	218.285	1.496	50	40	BDGB	
C[C@H](O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	58883523	CPMRGNKNJCEENE-CNOAHFENSA-N	248.326	1.815	50	40	BDGB	
CCN(C(C)=O)[C@H]1CCCN(C(=O)CCl)C1	83320872	QQHXQYSDCHABOT-JTQLQIEISA-N	246.738	1.085	50	40	BDGB	
CCOC(=O)CC(=O)[C@H](C)Br	39284829	GRRGNEZVXPTAEH-YFKPBYRVSA-N	223.066	1.292	50	40	BDGB	in-vitro
N#C/C(=C/c1ccco1)C(=O)NC1CC1	82077455	NVLQKVXLIXQLGN-VURMDHGXSA-N	202.213	1.465	50	40	BDGB	
NNC(=O)c1ncoc1-c1ccc(Cl)cc1	107246	KFQZSOVNOURDLB-UHFFFAOYSA-N	237.646	1.599	50	40	BDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1	7782058	PAPQDKPEFSJUJQ-GMROUXNLSA-N	247.298	1.051	50	40	BDGB	
NC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	7894778	WHWUZXZZPQKUFJ-NYYWCZLTSA-N	242.622	1.250	50	40	BDGB	
CCOC(=O)C[C@H](Br)C(C)=O	39343161	JMBHNRDFFCWPHT-LURJTMIESA-N	223.066	1.292	50	40	BDGB	in-vitro
O=C(O)C1=CC=C[C@H](Br)[N+]1=O	306145202	IWZAAWIFVRILMQ-RXMQYKEDSA-O	219.014	1.025	50	40	BDGB	in-vitro
N#Cc1c(NC(=O)CCl)cn2ccccc12	32603887	WFQZHQHPUZQCHQ-UHFFFAOYSA-N	233.658	1.988	50	40	BDGB	
CC[C@H](C)[C@H](NC(=O)C(Cl)Cl)C(=O)O	1608641	RWSLEAKLDZVALS-WHFBIAKZSA-N	242.102	1.406	50	40	BDGB	
CC1(C)OC[C@@H](CCBr)O1	34619594	SCINDQADIBQHKD-ZCFIWIBFSA-N	209.083	1.923	50	40	BDGB	in-vitro
O=C(NN=C(CCl)CCl)c1ccccn1	100244270	UQUHOGJLEDUKCG-UHFFFAOYSA-N	246.097	1.645	50	40	BDGB	
CCOC(=O)/C=C\CI	31750074	LGYZOJAAYSPBDU-ARJAWSKDSA-N	240.040	1.541	50	40	BDGB	
CCCC(=O)NNc1ccccc1OC	526059845	VFQGSCQOHJUMTC-UHFFFAOYSA-N	208.261	1.938	50	40	BDGB	
OC[C@H]1CCCCN1CCCCCl	43646846	KFGDXRIEIPOOOA-SNVBAGLBSA-N	205.729	1.852	50	40	BDGB	
ClC[C@H]1CCCN(c2ncccn2)C1	71063909	ZRRVPSMHLUSCGK-SECBINFHSA-N	211.696	1.932	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc(OC)cc1	31687313	TWYYCLOUUFXRNE-WQLSENKSSA-N	222.244	1.775	50	40	BDGB	
O=C(CCBr)NC1CCCC1	41709548	CUKAMHVKOAEBPY-UHFFFAOYSA-N	220.110	1.830	50	40	BDGB	
CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	7946288	JBLLOLOPHCLSCF-VZUCSPMQSA-N	241.634	1.718	50	40	BDGB	
C[C@H](O)C(=O)N/N=C\c1c(F)cccc1Cl	83293716	SAVPOYPOZOUORX-IKKFZSDSSA-N	244.653	1.310	50	40	BDGB	
Cn1c(=O)n(C)c2cc(C=C(C#N)C#N)ccc21	522017	YDYXPYMPQROSMU-UHFFFAOYSA-N	238.250	1.308	50	40	BDGB	
O=C(N/N=C1/CCCN1)c1c[nH]c2ccccc12	3170967	OUGYSGSJNKCIHG-UHFFFAOYSA-N	242.282	1.595	50	40	BDGB	
COc1ccc(CCNC(=O)[C@@H](C)Cl)cc1	12504906	BHALFLNGLIZOFA-SECBINFHSA-N	241.718	1.981	50	40	BDGB	
CCCC[C@H]1C[C@H](/C(C)=N/NC(N)=O)OC1=O	4616255	ULLVAEDJJLRJMU-IWLYLNEASA-N	241.291	1.153	50	40	BDGB	
NC(=O)[C@H](Br)c1ccc(F)cc1	9646680	FDWUBKJXMHZBKT-SSDOTTSWSA-N	232.052	1.747	50	40	BDGB	
C[C@@H]1C=C(C#N)O[C@@H](N2CCCC2=O)C1	4267416	FNQIWCGDICPDOC-LDYMZIIASA-N	206.245	1.399	50	40	BDGB	biogenic
Cc1ccc(-n2cccc2C(=O)NN)cc1C	223724666	SVCKDRLJSFAKJB-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
Cc1ccc(C(=O)N/N=C\c2cccn2C)cn1	30742806	IYQCFMYJHAEKEY-DHDCSXOGSA-N	242.282	1.492	50	40	BDGB	
N#CCn1cc(/C=N/NC(N)=O)c2ccccc21	33651548	HLTFODCRHRODQD-VIZOYTHASA-N	241.254	1.167	50	40	BDGB	
CC1(C)CC(=O)[C@H]2C(CCCl)=NN[C@H]2C1	228923840	FZSPQGBUUKBNQV-WPRPVWTQSA-N	228.723	1.948	50	40	BDGB	
NNC(=O)c1c2c(nc3ccccc13)CCCC2	3158864	YBFSBORXRMUSGJ-UHFFFAOYSA-N	241.294	1.717	50	40	BDGB	
NNC(=O)c1cc(-c2ccccc2)sc1N	160425	KYCHQJZDQRLUJQ-UHFFFAOYSA-N	233.296	1.601	50	40	BDGB	
COCCOC(=O)/C(C#N)=C/c1cccn1C	36799274	YFGFIVKIOPZFEV-CSKARUKUSA-N	234.255	1.122	50	40	BDGB	
CC(C)C(=O)N/N=C1\C(=O)Nc2c(F)cccc21	223760549	ZEAGJQDIJWECJT-UHFFFAOYSA-N	249.245	1.254	50	40	BDGB	
C[C@@H]1C[C@@H](NNC(=O)OC(C)(C)C)CCO1	95347629	ZHXQHAOHWHLGSX-BDAKNGLRSA-N	230.308	1.583	50	40	BDGB	
N#C/C(=C\c1ccccc1)C(=O)N1CCOCC1	3171246	GYLMFSLZKFDNDY-JLHYYAGUSA-N	242.278	1.452	50	40	BDGB	
COc1ccc(/C=C(/C#N)C(=O)O)cc1OC	12366846	DMACYVMZKYRYSL-UITAMQMPSA-N	233.223	1.695	50	40	BDGB	
CCCCOc1ccc(NC(=O)NN)cc1	1771484	OTRAAKAGUIVNTK-UHFFFAOYSA-N	223.276	1.861	50	40	BDGB	
Cc1[nH]c2ccc(C(=O)NN)cc2c1C	352041	ZLLQSKNEZHGOSH-UHFFFAOYSA-N	203.245	1.388	50	40	BDGB	
CC(=O)Nc1cccc(/C(C)=N\NC(N)=O)c1	4776855	VSHZJOXCZCAAJU-AUWJEWJLSA-N	234.259	1.037	50	40	BDGB	
CC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21	4894735	MGAFCJQULOZDKA-IMTBSYHQSA-N	232.287	1.934	50	40	BDGB	
CC(C)(C)c1ccc(/C=N/NC(N)=O)cc1	3160798	GOSSPRFLJFXHNK-RIYZIHGNSA-N	219.288	1.986	50	40	BDGB	
O=NN(CCCl)C(=O)N[C@@H]1CCC[C@@H](O)C1	5134617	RLVBEHFQVMKVOD-HTQZYQBOSA-N	249.698	1.222	50	40	BDGB	
O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	104130695	NCIFOAQKJBQKSO-SASUGWTJSA-N	242.230	1.156	50	40	BDGB	
CCC12C[C@@H]3C[C@H](C1)CC(C(=O)NN)(C3)C2	12436470	DONLGDYVQBVZQI-ASZHBFLOSA-N	222.332	1.973	50	40	BDGB	
C[C@@H](Cl)C(=O)NNc1cccc(Cl)n1	1394446	ZXJRKLKRLVRTFE-RXMQYKEDSA-N	234.086	1.805	50	40	BDGB	
COc1cc(Br)ccc1C(=O)NN	116938284	HMRCWERTJDRYHQ-UHFFFAOYSA-N	245.076	1.061	50	40	BDGB	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCl	8707048	BWWNRHWCVSGBGF-UHFFFAOYSA-N	240.734	1.950	50	40	BDGB	in-vitro
C=CCNC(=O)/C(C#N)=C/c1cccn1C	96663241	ADZZNKNFFBCRES-CSKARUKUSA-N	215.256	1.234	50	40	BDGB	
NC(=O)N/N=C/c1cc(Cl)c(O)c(Cl)c1	36617150	FWDQLRVVVXFOFG-KGVSQERTSA-N	248.069	1.701	50	40	BDGB	
CN(C)C[C@@H]1CCCN(C(=O)CCl)C1	79419107	QAMAGDODMZTMKF-VIFPVBQESA-N	218.728	1.025	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)[C@H](O)C(C)(C)C	96518977	FDDFZUFTPPNSOT-NKWVEPMBSA-N	228.741	1.393	50	40	BDGB	
Cc1ccc([C@H]2NC(=O)OC2=O)cc1C	1772714755	QSVBHPRGVOQNJJ-SECBINFHSA-N	205.213	1.611	50	40	BDGB	
Cc1cc(C)c(NCC(=O)NN)c(C)c1	2656614	VPPSGTKPGQFWNW-UHFFFAOYSA-N	207.277	1.014	50	40	BDGB	in-vitro
C[C@@H](F)c1cc(B(O)O)cc(C(F)(F)F)c1	1857794676	GTWVBVBMCZXACM-RXMQYKEDSA-N	235.973	1.416	50	40	BDGB	
CO[Si](OC)(OC)[C@@H]1CC[C@H]2O[C@@H]2C1	195766624	ZQDWUJIBGXKPDZ-IWSPIJDZSA-N	218.325	1.186	50	40	BDGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@H]2OCCC[C@H]12	4267486	VGTJSJZCANETMB-JFGNBEQYSA-N	237.255	1.356	50	40	BDGB	
COC(=O)/C(C#N)=C/Nc1ccc(Cl)cn1	101645864	CVIHSEGWJYYVRQ-FNORWQNLSA-N	237.646	1.727	50	40	BDGB	
CCCC(=O)NNc1ncnc2ccccc12	6550415	YXODJSLTUAGVHL-UHFFFAOYSA-N	230.271	1.873	50	40	BDGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nn[nH]n1	6862926	DAIUEFICGIICPM-WAYWQWQTSA-N	248.196	1.454	50	40	BDGB	
O=C(NN=Cc1ccccc1O)c1ccncc1	254401078	VBIZUNYMJSPHBH-UHFFFAOYSA-N	241.250	1.551	50	40	BDGB	
NC(=O)N/N=C1\CCCc2ccccc21	100229659	XUKCXUHWMJPPSM-JLHYYAGUSA-N	203.245	1.395	50	40	BDGB	
Cn1cccc1/C=N/NC(=O)c1ccncc1	136916	LRRSXFFFFBRIJH-NTEUORMPSA-N	228.255	1.184	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)NC1CCCC1	12504927	IEPMHLKRBOVULO-ZCFIWIBFSA-N	218.684	1.382	50	40	BDGB	
C[C@@H](Cl)C(=O)NNC(=O)c1ccccc1	4206397	YRXSIGFCYFVJPY-SSDOTTSWSA-N	226.663	1.075	50	40	BDGB	in-vitro
C=C(C#N)[C@@](O)(c1nccn1C)C(F)(F)F	8725303	UEJLSDHZGOZSHN-MRVPVSSYSA-N	231.177	1.250	50	40	BDGB	
O=C(CBr)N1C2CCC1CC2	39055740	GYVOTJWWATULAR-UHFFFAOYSA-N	218.094	1.535	50	40	BDGB	
O=C(COc1ccccc1F)N=C=S	70461502	SWWVJWSDNLURIA-UHFFFAOYSA-N	211.217	1.834	50	40	BDGB	
Cc1cccc(C)c1-n1ccc(C(=O)NN)c1	223724413	AXRWXRJEDVNRGK-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
C/C(=N\NC(=O)[C@@H]1CCCO1)c1ccc(O)cc1	43973951	FKLVGKAMASIULZ-IGVUGNCQSA-N	248.282	1.411	50	40	BDGB	
CCCCCOc1ccc(B(O)O)c(F)c1F	169806894	RCVQAXDDFSTKKQ-UHFFFAOYSA-N	244.046	1.214	50	40	BDGB	
COC(=O)/C(C#N)=C/Nc1cccc(OC)c1	100025597	YLXKXVRYMSAIEC-CMDGGOBGSA-N	232.239	1.688	50	40	BDGB	
O=C(N/N=C/c1ccccc1)c1cnccn1	228528	IXDUNTSAFDFMPK-OVCLIPMQSA-N	226.239	1.241	50	40	BDGB	
O=C(NCCCl)NCc1ccco1	1627419	VVYXILGQLAJZQA-UHFFFAOYSA-N	202.641	1.318	50	40	BDGB	
NC(=O)[C@H](Br)c1ccccc1	1681751	AHAHDSZRVUVAGH-SSDOTTSWSA-N	214.062	1.608	50	40	BDGB	
CO[C@@H](NC(=O)C(C)(C)C)C(Cl)Cl	3109711	KSCIVDJITIKPBO-ZCFIWIBFSA-N	228.119	1.925	50	40	BDGB	
Cc1cc(/C=N/NC(=O)CC#N)cc(C)c1O	105153244	YMXNMAJTYKJQJS-VGOFMYFVSA-N	231.255	1.373	50	40	BDGB	
COC(=O)/C(C#N)=C/c1c[nH]nc1C(C)(C)C	60528939	SQVPTXYGPCLBAK-VMPITWQZSA-N	233.271	1.787	50	40	BDGB	
CN(C)/C=C(\C#N)C(=O)NCc1ccc(F)cc1	95913034	FNUMROZITGUGAZ-PKNBQFBNSA-N	247.273	1.411	50	40	BDGB	
C/C(=C(/C#N)C(N)=O)c1cccc(F)c1	252508368	XLTPPCYMUJFEEY-JXMROGBWSA-N	204.204	1.608	50	40	BDGB	
CCOc1ccc([C@@H]2NC(=O)OC2=O)cc1	1772715086	ZEXNICGFYZMYLO-VIFPVBQESA-N	221.212	1.393	50	40	BDGB	
N#C/C(=C/c1cc(Cl)ccc1O)C(N)=O	1735393	FNOYJMPRVSISDW-CLTKARDFSA-N	222.631	1.438	50	40	BDGB	
CCOC(=O)[C@H]1CCC(=O)[C@@H](Br)C1	39340291	IGOWSOGBQMBHIY-BQBZGAKWSA-N	249.104	1.682	50	40	BDGB	
CCCCCNC(=O)CBr	41719793	NMECVQPHNRFVHP-UHFFFAOYSA-N	208.099	1.688	50	40	BDGB	
CCC[C@@H](C(=O)NN)N1CCCCCC1	22123667	GBSHAPUOYOCSDV-JTQLQIEISA-N	213.325	1.021	50	40	BDGB	
CCCCN1CCC[Si]1(OC)OC	195893269	HMXFDVVLNOFCHW-UHFFFAOYSA-N	203.358	1.724	50	40	BDGB	
O=C(CN1CCCCC1)NNc1ccccc1	5684111	IIPZTVRYFZCVRX-UHFFFAOYSA-N	233.315	1.616	50	40	BDGB	
O=S1(=O)C[C@H](/N=C/c2ccoc2)[C@@H](Cl)C1	5906518	BDWCKLLSYPIWKK-CNOJAYMYSA-N	247.703	1.103	50	40	BDGB	
O=C(O)CCSSCCC[S@](=O)O	17175441	PBVHYVHIZXBWQG-UHFFFAOYSA-N	244.359	1.454	50	40	BDGB	
CC1=C(/C=N/NC(N)=O)C(=O)[C@@H](C(C)C)C=C1	4266505	YLIYKAGEEOMVEF-ISKYKNHCSA-N	235.287	1.368	50	40	BDGB	
CC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	5437439	VPKVLOQKXKHSRZ-POHAHGRESA-N	207.189	1.065	50	40	BDGB	
N#C[C@@H](NC(=O)NCCCl)c1ccccc1	1627488	OOFLZNYWYLBUQX-SNVBAGLBSA-N	237.690	1.789	50	40	BDGB	
O=C1CC[C@@H](NCCc2ccccc2)C(=O)O1	104194955	QHKCHZISMKLFJM-LLVKDONJSA-N	233.267	1.051	50	40	BDGB	
CCNC(=S)NNC(=O)/C=C/c1ccccc1	6447270	YAAVTZBWIUPELY-CMDGGOBGSA-N	249.339	1.215	50	40	BDGB	
NNC(=O)c1cccn1-c1ccccc1	40176405	IWJGSCRGINQNFG-UHFFFAOYSA-N	201.229	1.081	50	40	BDGB	
CC(C)(C)[C@@H](O)[C@@H](Cl)S(C)(=O)=O	96518899	QXAOPBFAOMFYPF-WDSKDSINSA-N	214.714	1.003	50	40	BDGB	
NNC(=O)Nc1ccc(OC(F)(F)F)cc1	34457813	TYFYWJUGQMIDIZ-UHFFFAOYSA-N	235.165	1.580	50	40	BDGB	
CC(=O)Oc1ccccc1/C=N/N(C)C(C)=O	1708004	WBYSRWBKVXOPDZ-MDWZMJQESA-N	234.255	1.424	50	40	BDGB	
Br[C@H]1OCCO[C@@H]1Br	2524732	HZDLDQRLDYAQRU-IMJSIDKUSA-N	245.898	1.475	50	40	BDGB	
CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@@H]1Cl	8558884	QFGSVRMOEYSJPL-MRVPVSSYSA-N	238.678	1.423	50	40	BDGB	
N#CSc1cccc(C(=O)O)c1[N+](=O)[O-]	3067791	PRZWXCHNXJRCLI-UHFFFAOYSA-N	224.197	1.866	50	40	BDGB	
CCn1cc([N+](=O)[O-])c(C(=O)Cl)n1	6125745	LJLPOLASQPARAW-UHFFFAOYSA-N	203.585	1.190	50	40	BDGB	
COC(=O)N/N=C/c1cccc(OC)c1	491963	NAOARSASRULYQN-YRNVUSSQSA-N	208.217	1.385	50	40	BDGB	
NC(=O)N/N=C/c1c(Cl)cccc1Cl	1719928	UGYGQHWYUOUTJE-UUILKARUSA-N	232.070	1.996	50	40	BDGB	
CCCCOCCOC[C@@H](O)CCl	6397662	FAKYOCLCEHXDQD-VIFPVBQESA-N	210.701	1.419	50	40	BDGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccco1	12900197	IKWLNAYFLXJWQX-SECBINFHSA-N	234.255	1.397	50	40	BDGB	
O=C(NNc1ccccc1[N+](=O)[O-])C(F)(F)F	4671916	UZSMRNNIYRAAHO-UHFFFAOYSA-N	249.148	1.600	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-]	46327	LJIGRDXCIMUCHL-RMKNXTFCSA-N	232.195	1.675	50	40	BDGB	
C[C@@H](Cl)C(=O)c1ccccc1C(=O)C(N)=O	2271647	DLRQDPRVEOFDHT-ZCFIWIBFSA-N	239.658	1.165	50	40	BDGB	
C=CCOC[C@@H](CCl)OC(=O)CC	2046267	FYTSIQVTVHOXQO-MRVPVSSYSA-N	206.669	1.750	50	40	BDGB	
Cc1nn(C)c(C(=O)Cl)c1Br	2521289	JKGPXKIVYCKEHI-UHFFFAOYSA-N	237.484	1.870	50	40	BDGB	
C[C@@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1	196314024	PSOXFYKJSWSUAG-MRVPVSSYSA-N	249.222	1.691	50	40	BDGB	
CN(C)NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C	16739560	ZOWUKHDWXBXXHT-OLZOCXBDSA-N	238.331	1.365	50	40	BDGB	
N#C/C(=C/N1CCOCC1)c1ccccc1	4838531	RVDAXHHFWRWCAW-QBFSEMIESA-N	214.268	1.883	50	40	BDGB	
N#CC1=C[C@H](c2ccccc2)[C@H]2OC(=O)N[C@@H]2O1	4267596	PEJFPXVYSOHJBX-IJLUTSLNSA-N	242.234	1.642	50	40	BDGB	biogenic
CC(C)(O)C(=O)N/N=C1\CCCc2ccccc21	32578396	GVBJKXRAICBAKM-NTCAYCPXSA-N	246.310	1.614	50	40	BDGB	
O=C(Cl)COc1ccccc1-n1cnnc1	40544631	IWMQSGBUSZTZLK-UHFFFAOYSA-N	237.646	1.412	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc(NC(C)=O)cc1	1578152	ZZKGGAYDHNIOPZ-YRNVUSSQSA-N	244.250	1.725	50	40	BDGB	
CCOC(=O)CC[C@]1(C)OC[C@H](CCl)O1	1676996	BWLBXNPVFFWRIS-WCBMZHEXSA-N	236.695	1.700	50	40	BDGB	
O=C(CCl)Nc1noc2ncccc12	26421544	QIAQSOOPCGMYEF-UHFFFAOYSA-N	211.608	1.400	50	40	BDGB	
CC1=C(C)[C@@H]2C=CC=C[C@@H]1C2=NNC(N)=O	101044315	MQLNCNWEIJOVDH-UWVGGRQHSA-N	217.272	1.719	50	40	BDGB	
Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1C	408770963	BISQWHXWCBYBHN-ZSOIEALJSA-N	245.282	1.999	50	40	BDGB	
COC(=O)[C@@H](Cc1ccc(F)cc1)N=C=O	16158551	LGHLKJBYUBBGNR-SNVBAGLBSA-N	223.203	1.246	50	40	BDGB	
CCN1CCC(=NNC(=O)c2ccc(C)o2)CC1	55074045	VPHDVDIAFYIZAX-UHFFFAOYSA-N	249.314	1.790	50	40	BDGB	
CN(C)/C(=C\C=C(/C#N)C(N)=O)c1ccccc1	82306623	SQVPRZPJMZLJCJ-UQXQTEIVSA-N	241.294	1.524	50	40	BDGB	
C[C@@H](C(=O)O)N(N=[N+]=[N-])C(=O)OC(C)(C)C	33753776	NOAOACNYCMDXCJ-YFKPBYRVSA-N	230.224	1.922	50	40	BDGB	
NNC(=O)c1cccc(OCc2cccnc2)c1	193371181	QLWPDQXYWFEWOR-UHFFFAOYSA-N	243.266	1.264	50	40	BDGB	
O=S(OCCCCl)OCCCCl	1083812512	MSCOHBWYZVORME-UHFFFAOYSA-N	235.132	1.856	50	40	BDGB	
CC(/C=C/c1ccco1)=N\NC(=O)CC#N	4539113	JKRSRMDKSCJPSX-CCKNLQGCSA-N	217.228	1.699	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1	59333582	QPRDIQJIPBPZFC-POHAHGRESA-N	245.238	1.590	50	40	BDGB	
O=C(NNc1ncccn1)c1cc(Cl)c[nH]1	44716581	GWUSMFNUFSTUIQ-UHFFFAOYSA-N	237.650	1.215	50	40	BDGB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=N\NC(N)=O	16102437	UKSZPQBTXXUTND-RDIYIRADSA-N	223.276	1.036	50	40	BDGB	
CC(C)(C)[Si](C)(C)OC[C@H](N)CO	195869205	LPLDCSWTBSTLOX-MRVPVSSYSA-N	205.374	1.328	50	40	BDGB	
CC1=C(C#N)C(=N)O[C@]1(C)[C@@H]1CC(=O)C=CC1=O	5759976	CQBBLLLOEBHVOC-MFKMUULPSA-N	244.250	1.307	50	40	BDGB	
COCCNC(=O)/C(C#N)=C/c1ccc(C)o1	5007794	AQPCZSJVPUGQGW-JXMROGBWSA-N	234.255	1.258	50	40	BDGB	
CC(=O)N1CCC[C@H]1CBr	19783896	VEORRLMAIMETPN-ZETCQYMHSA-N	206.083	1.392	50	40	BDGB	
CC(C)(O)[C@H](Br)CBr	1848532	PJEOPLWYHUCKPD-SCSAIBSYSA-N	245.942	1.916	50	40	BDGB	
C[C@@]12C=C[C@@](C)(O1)[C@@H](Cl)C(=O)[C@H]2Cl	4293595	PXHBVEGSUFMYSU-OJOKCITNSA-N	221.083	1.888	50	40	BDGB	
N#CS[C@@H]1CS(=O)(=O)C=C1Cl	4575221	SRIUCLVPWUBZHR-RXMQYKEDSA-N	209.679	1.078	50	40	BDGB	
NNC(=O)N=Cc1ccc(Cl)c(Cl)c1	245239196	GIVIBQWXWMJNBC-UHFFFAOYSA-N	232.070	1.996	50	40	BDGB	
O=C(CSS(=O)(=O)O)Nc1ccccc1	1737288	GEGDUMSGCWIGOL-UHFFFAOYSA-N	247.297	1.161	50	40	BDGB	
COc1c(O)ccc(C=C(C#N)C#N)c1[N+](=O)[O-]	6380390	JZAFLJTUVGJGFX-UHFFFAOYSA-N	245.194	1.740	50	40	BDGB	
CCC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](C)C1	22123609	QDLVTGWISNJXDD-GMTAPVOTSA-N	227.352	1.123	50	40	BDGB	
CC(C)COc1ccc(/C=C/C(=O)NN)cc1	216883282	CSRPPARIDADSQV-VMPITWQZSA-N	234.299	1.725	50	40	BDGB	
CC(C)(C)NC(=S)NNC(=O)c1ccco1	78472050	VRLARVMADXNHTI-UHFFFAOYSA-N	241.316	1.187	50	40	BDGB	
C=CCOC(=O)NCCBr	216089389	PVHUBYKHHACXLU-UHFFFAOYSA-N	208.055	1.294	50	40	BDGB	
CCOC(=O)C1(CCCl)CCNCC1	116182889	MDLBWAGFEGFSFI-UHFFFAOYSA-N	219.712	1.548	50	40	BDGB	
CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	102188513	LEVGEMOUBVHJCN-KHUVANEUSA-N	204.225	1.454	50	40	BDGB	
CC(=O)NNC(=S)Nc1cccc(C)c1	3194671	SCPAGQYRWPSVEU-UHFFFAOYSA-N	223.301	1.333	50	40	BDGB	
O=S1(=O)CCc2ccccc2[C@@H](Cl)C1	1641122	DWFHOYZCDGUMAH-JTQLQIEISA-N	230.716	1.937	50	40	BDGB	
CO[C@H](C)CCOC(=O)CBr	1707046	KQNWDIIRTPLEQE-ZCFIWIBFSA-N	225.082	1.350	50	40	BDGB	
CCCOc1ccc(/C=C(\C#N)C(N)=O)cc1	3570177	AMYLJJQRJUYHHA-DHZHZOJOSA-N	230.267	1.868	50	40	BDGB	
Cc1ccc(C)n1Cc1cccc(C(=O)NN)c1	226032451	OWJOVMXJCQVKLB-UHFFFAOYSA-N	243.310	1.757	50	40	BDGB	
COc1ccc(-n2c(C)ccc2C(=O)NN)cc1	223748981	OPDJUYYXGORUBP-UHFFFAOYSA-N	245.282	1.398	50	40	BDGB	
CC(C)[C@@H](/C=N/NC(N)=O)CC[C@@H](C)C(=O)O	4266518	NDWFETOVNYWBHY-MCONXBQISA-N	243.307	1.414	50	40	BDGB	
C=CCOc1c(/C=N\NC(N)=O)cccc1OC	13138770	QHZSAFXFYFNVJW-ZSOIEALJSA-N	249.270	1.262	50	40	BDGB	
O=NN(CCF)C(=O)NC1CCSCC1	4995700	RASQWFNMYUIFFE-UHFFFAOYSA-N	235.284	1.545	50	40	BDGB	
CC[C@@H](C)NC(=O)[C@@H](C)Br	34196685	HFJATYJXQDZHGW-PHDIDXHHSA-N	208.099	1.685	50	40	BDGB	
CN(Cc1cncs1)C(=O)CCl	79422028	LNWQXXMTQJJXOP-UHFFFAOYSA-N	204.682	1.340	50	40	BDGB	
COC(=O)c1ccc(C(=O)CCl)o1	85394239	VPFJMHLPUNVWNL-UHFFFAOYSA-N	202.593	1.488	50	40	BDGB	
COc1ccc(OCC(=O)CCl)cc1	32013003	ZSIWUEDDISZVHD-UHFFFAOYSA-N	214.648	1.882	50	40	BDGB	
NC(=O)NN=CCc1c[nH]c2c1C=CCC2	380500962	DVZDYCDPKDQZLK-UHFFFAOYSA-N	218.260	1.171	50	40	BDGB	
N#C/C(=C\c1ccco1)C(=O)NC[C@H]1CCCO1	2682526	VOKPOWPYVFWWJL-OFFHKIPUSA-N	246.266	1.482	50	40	BDGB	
CCOC(=O)C1=C(C)C/C(=N/NC(N)=O)CC1	5539595	GUIQSZKOYGNAJD-MDWZMJQESA-N	239.275	1.074	50	40	BDGB	
Cn1cc(Cl)c(/C=C(/C#N)C(N)=S)n1	12410575	VWDFWFWYOPNAAM-DJWKRKHSSA-N	226.692	1.267	50	40	BDGB	
CC(=O)C(OCCCl)OCCCl	1868604	VGXPZSKODPUVDS-UHFFFAOYSA-N	215.076	1.412	50	40	BDGB	
CNC(=O)[C@H](Br)c1ccccc1	6126095	FIXINOVVDGQNIZ-MRVPVSSYSA-N	228.089	1.869	50	40	BDGB	
S=C=NC[C@@H]1COc2ccccc2O1	26422588	DOPVFRWYYKZSOZ-MRVPVSSYSA-N	207.254	1.929	50	40	BDGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](C)O)cc1	59515348	SCBXBPHRUBNABP-CEITULEQSA-N	234.299	1.641	50	40	BDGB	
O=C(Cl)c1ccc(CO[N+](=O)[O-])cc1	34017229	UELBBICIIRBQJB-UHFFFAOYSA-N	215.592	1.774	50	40	BDGB	
CCN(CC)CCI	82880118	WYHOFOZPBHOEGE-UHFFFAOYSA-N	227.089	1.763	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(N)=S)cc1O	54728	HOBLIVBWLVPRTR-XBXARRHUSA-N	234.280	1.594	50	40	BDGB	
CC1CCN(CCNC(=O)CCl)CC1	40438580	PHDQTDRPOAWTDL-UHFFFAOYSA-N	218.728	1.073	50	40	BDGB	
Cc1cccc[n+]1CI	96954	WOWHFNGNHKDZOH-UHFFFAOYSA-N	234.060	1.675	50	40	BDGB	
C=C(C#N)[C@H](O)c1ccccc1[N+](=O)[O-]	20064321	ZQZVKSQUPWEOJT-JTQLQIEISA-N	204.185	1.708	50	40	BDGB	
BrCCCCCN1CCOCC1	70050440	AHCZFIIYXHTRLT-UHFFFAOYSA-N	236.153	1.884	50	40	BDGB	
COc1ccc(/C=N/NC(=O)CC#N)cc1OC	143669	MSTGEGLMWQNHML-RIYZIHGNSA-N	247.254	1.068	50	40	BDGB	
N#C/C(=C\c1ccccc1)C(=O)NC1CC1	3309168	KSHDAYYEBNUTFU-DHZHZOJOSA-N	212.252	1.872	50	40	BDGB	
C/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	5612761	BLPBAGKJLINMEE-BIIKFXOESA-N	221.216	1.259	50	40	BDGB	
COC(=O)CCCCCCC/C=N/NC(N)=O	6379237	YRPRVKRLDYSZBO-UKTHLTGXSA-N	243.307	1.544	50	40	BDGB	
CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1	5620815	QFHVNDCNXZUWFJ-YRNVUSSQSA-N	221.216	1.455	50	40	BDGB	
C[C@H](F)c1cc(B(O)O)cc(C(F)(F)F)c1	1857794679	GTWVBVBMCZXACM-YFKPBYRVSA-N	235.973	1.416	50	40	BDGB	
C[C@@H](Br)[C@@H](Br)CO	2022024	RZUXIYDMQGCCDD-DMTCNVIQSA-N	231.915	1.526	50	40	BDGB	
NC(=O)N/N=C\c1ccc(Cl)s1	8603274	DSEPUMWEHVVIII-OQFOIZHKSA-N	203.654	1.404	50	40	BDGB	
COc1ccc(C(=O)NNC(=O)C2CCC2)cc1	3306510	JUGBTLIGUUAJBU-UHFFFAOYSA-N	248.282	1.256	50	40	BDGB	
CC(C)CC(=O)NNC(=O)c1ccccc1O	11638583	WPJPFOIHAIJXDY-UHFFFAOYSA-N	236.271	1.199	50	40	BDGB	
CCNC(=O)NC(=O)[C@@H](Cl)c1ccccc1	2647847	FXGOPOUEIMROAX-VIFPVBQESA-N	240.690	1.812	50	40	BDGB	in-vitro
O=C(CCl)N1CCC(c2ccccc2)=N1	3888025	CDCJUMGCXOOIGU-UHFFFAOYSA-N	222.675	1.862	50	40	BDGB	in-vitro
CC(=O)Nc1cccc(/C(C=O)=C/N(C)C)c1	71625182	SYGBYQIOMKEFPX-XYOKQWHBSA-N	232.283	1.746	50	40	BDGB	
CCc1ccc(/C(C)=N/NC(N)=O)cc1	5911279	NXXOKKAFRUVZKJ-MDWZMJQESA-N	205.261	1.641	50	40	BDGB	
O=C(CCl)Nc1ccc2c(c1)NC(=O)C2	3845245	ZHRVBMAXQNGOET-UHFFFAOYSA-N	224.647	1.359	50	40	BDGB	biogenic
CC(C)Cc1ccc(C(=O)NN)n1CC(C)C	226022839	GIJVQEMAKMEKNH-UHFFFAOYSA-N	237.347	1.946	50	40	BDGB	
C[C@H](Br)[C@H](NN)c1ccccc1	199539374	ZJCPBALQKHRVFL-CBAPKCEASA-N	229.121	1.974	50	40	BDGB	
COc1cncc(C(=O)CBr)c1	95761491	KMGYGCFRCYYRAO-UHFFFAOYSA-N	230.061	1.668	50	40	BDGB	
Cc1cc(C(=O)NN=C2CCCC2)[nH]n1	510530	AHTOLQMHNBNDNL-UHFFFAOYSA-N	206.249	1.378	50	40	BDGB	
O=C(NCCCl)Nc1ccc(C(=O)O)cc1	1580901	QXPXBJOWVUHUCM-UHFFFAOYSA-N	242.662	1.745	50	40	BDGB	
CCC[C@H](Oc1ccc(Cl)cc1)C(=O)NN	7262861	KPFFKZYYMSHHOG-JTQLQIEISA-N	242.706	1.877	50	40	BDGB	
NC(=O)N/N=C1/CCSc2c(F)cccc21	96297728	GRHUBWRYXHKGLQ-JYRVWZFOSA-N	239.275	1.694	50	40	BDGB	
CSc1nsc(NC(=O)CCl)n1	8855827	VNFBSTKRPXRHHL-UHFFFAOYSA-N	223.710	1.437	50	40	BDGB	in-vitro
CCOC(=O)CC(=O)[C@H](Br)CC	39284831	NUJFFRSXUKQHPG-ZCFIWIBFSA-N	237.093	1.682	50	40	BDGB	
C#CCO[C@@H]1CCC[C@@H]1Br	39118000	SQQPFWGVBRZKRC-JGVFFNPUSA-N	203.079	1.952	50	40	BDGB	
CC1(C)OC[C@H]1I	606301354	KEHVGOVPDSPAOK-SCSAIBSYSA-N	212.030	1.599	50	40	BDGB	
NC(=S)NNC(=O)c1ccc2ccccc2c1	15423264	WIQZCZVJIVVMJR-UHFFFAOYSA-N	245.307	1.318	50	40	BDGB	
CN(NC(=O)c1ccncc1)c1ccccc1	32732279	WFHYDFDUBAVOCQ-UHFFFAOYSA-N	227.267	1.863	50	40	BDGB	
CCOC(=O)CC[C@]1(C)OC[C@@H](CCl)O1	1676994	BWLBXNPVFFWRIS-PSASIEDQSA-N	236.695	1.700	50	40	BDGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccccc1	101638086	GMJSZJBCHRADSZ-IZZDOVSWSA-N	220.235	1.854	50	40	BDGB	
COc1cccc(/C=N/N(CCC#N)C(C)=O)c1	2752581	OYPZKEPZOVOICL-XNTDXEJSSA-N	245.282	1.791	50	40	BDGB	
O=C1CCc2cc([C@@H](O)CCl)ccc2N1	39309022	OQHJYCOOKFSMPC-JTQLQIEISA-N	225.675	1.844	50	40	BDGB	
O=C(CCl)OCC[C@H]1CCCNC1	42768586	IOEWZXQZGPLYCI-MRVPVSSYSA-N	205.685	1.158	50	40	BDGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=N\NC(N)=O	100923221	UKSZPQBTXXUTND-SBUPKHTPSA-N	223.276	1.036	50	40	BDGB	
COc1ccc(N/C(C)=C(/C#N)C(N)=O)cc1	100328016	LYTQVYDRODJKFH-FLIBITNWSA-N	231.255	1.390	50	40	BDGB	
CN1C(=O)N(C)P12(Cl)N(C)C(=O)N2C	102931815	IBTDLMFATJWOHG-UHFFFAOYSA-N	238.615	1.348	50	40	BDGB	
CCCC[C@H]1C[C@@H](/C(C)=N/NC(N)=O)OC1=O	4616257	ULLVAEDJJLRJMU-KWMFLURBSA-N	241.291	1.153	50	40	BDGB	
ClCc1ccc(N2CCOCC2)nc1	40884489	DUSHMCNMZOYNGA-UHFFFAOYSA-N	212.680	1.657	50	40	BDGB	
N#CC(C#N)=CNC(=S)c1ccncc1	13000831	JQDJDCUBYJRAGG-UHFFFAOYSA-N	214.253	1.278	50	40	BDGB	
Cc1ccc(N/C=C(/C#N)C(N)=S)nc1	3176731	JXNPIKZGTRXCDA-VURMDHGXSA-N	218.285	1.496	50	40	BDGB	
O=C(O)C(=O)CCCCCBr	16125387	WTQLOILEMWBNTR-UHFFFAOYSA-N	223.066	1.595	50	40	BDGB	
IC[C@@H]1CCCO1	1622487	BMZJORGYEOQMFR-YFKPBYRVSA-N	212.030	1.600	50	40	BDGB	
CC(C)=NNC(=O)Cc1ccc([N+](=O)[O-])cc1	5283324	DGXDEQXELMCSMH-UHFFFAOYSA-N	235.243	1.649	50	40	BDGB	
C/C(=N\NC(=O)c1ccccc1O)C1CC1	4471676	AHTYQYUTENJTHF-MDWZMJQESA-N	218.256	1.908	50	40	BDGB	
O=C(Cl)CNC(=O)OCc1ccccc1	39189382	HJJNNRNPEWJNSR-UHFFFAOYSA-N	227.647	1.678	50	40	BDGB	
CN(Cc1cccc(C#N)c1)C(=O)CCl	37830365	BOMSMPGMLMCLSL-UHFFFAOYSA-N	222.675	1.755	50	40	BDGB	
NNC(=O)c1ncoc1-c1ccc(F)cc1	223465270	ITMCTEOGMGDECH-UHFFFAOYSA-N	221.191	1.084	50	40	BDGB	
CC(/C=C/c1ccc([N+](=O)[O-])o1)=N\NC(N)=O	4722187	CINUUHOYDXCJFA-PDGXAJGZSA-N	238.203	1.245	50	40	BDGB	
CCOc1ccc(/C=C(/C#N)C(N)=O)cc1	12340154	JBVCLCDZCHMRCV-YFHOEESVSA-N	216.240	1.478	50	40	BDGB	
C/C(=N/NC(=O)c1ccncc1)c1ccco1	1498	GNDPAVKYAUIVEB-ZROIWOOFSA-N	229.239	1.829	50	40	BDGB	
CC(=O)[C@H]1C(=O)CC(C)(C)[C@@H](Cl)C1=O	100001596	BHVFIYRNSPTPPG-CBAPKCEASA-N	216.664	1.367	50	40	BDGB	
N#C/C(=C\c1c(F)cccc1F)C(N)=O	3570161	MQEFFQIPYYZKGS-GQCTYLIASA-N	208.167	1.357	50	40	BDGB	
COCCCNC(=O)/C(C#N)=C/c1ccccc1	23724276	MBEFHAQTWAQECQ-JLHYYAGUSA-N	244.294	1.746	50	40	BDGB	
Cc1nc2n(n1)C(=O)[C@H](CCCl)S2	38700856	ZYPSXEHEBRENTL-YFKPBYRVSA-N	217.681	1.330	50	40	BDGB	
BrCCI	85856336	HKQCJJOXYWQRFN-UHFFFAOYSA-N	234.862	1.816	50	40	BDGB	
C#CCCC1(CCSS(C)(=O)=O)N=N1	1776010178	BUXPGBGDYNOUHW-UHFFFAOYSA-N	232.330	1.645	50	40	BDGB	
CC(C)(C)C(=O)NNC(=O)c1cccc(O)c1	11639098	SSEVUSFVFKOXEY-UHFFFAOYSA-N	236.271	1.199	50	40	BDGB	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)s1	12410547	RVTZGLOIHGPJLM-RUDMXATFSA-N	206.270	1.757	50	40	BDGB	
COc1ccc(N/C=C(\C=O)[N+](=O)[O-])cc1	1713543	LASJPCKYTAPTHS-RMKNXTFCSA-N	222.200	1.424	50	40	BDGB	
O=[N+]([O-])c1ccc(SS(=O)(=O)O)cc1	2314802	INFSNMXNXHLXBX-UHFFFAOYSA-N	235.242	1.490	50	40	BDGB	
COc1ccc(/C=C(\C#N)C(N)=S)c(OC)c1	317893	XNRXHMJBCZFABC-WEVVVXLNSA-N	248.307	1.897	50	40	BDGB	
Cc1ccc2c(c1)/C(=N\NC(N)=O)CCC2	31778046	HVWRKLPHNBPWQE-KAMYIIQDSA-N	217.272	1.704	50	40	BDGB	
CC(=N/NC(=O)c1ccc(C)cc1)/C(C)=N/O	4524449	IPGQTCDZQDKWFH-AYMWWVTDSA-N	233.271	1.951	50	40	BDGB	
C/C(=C(/C#N)C(=O)NN)c1ccc(F)cc1	407398	CNQJMGLDRYSXNY-JXMROGBWSA-N	219.219	1.113	50	40	BDGB	
COC(=O)c1cc(SC#N)c(N)s1	12417746	ULLPSNBPFYVPDS-UHFFFAOYSA-N	214.271	1.690	50	40	BDGB	
CNC(=O)Oc1coc(CCl)cc1=O	1709047	NAQLXNWQALQJTC-UHFFFAOYSA-N	217.608	1.097	50	40	BDGB	
Cc1cc(N(C)C(=O)CCl)ccc1O	199756257	YOLAHEDFZZIGOJ-UHFFFAOYSA-N	213.664	1.902	50	40	BDGB	
Cc1c(/C=N\NC(N)=O)c2ccccc2n1C	169974489	UMDVSUJILPTRRV-AUWJEWJLSA-N	230.271	1.489	50	40	BDGB	
CC/C(C)=N\NC(=O)CO/N=C/c1ccccc1	5482083	LWAKMFAWSCKRAC-PVMFERMNSA-N	247.298	1.939	50	40	BDGB	
COc1ccc(OCC(=O)NN=C(C)C)cc1	261299	SIVJRZVBCHYCCA-UHFFFAOYSA-N	236.271	1.586	50	40	BDGB	
Br[C@H]1CCO[C@H]1Br	100076539	SJWJMCVIJLKQIT-IUYQGCFVSA-N	229.899	1.891	50	40	BDGB	
CCN(C[C@@H]1CCCN1C(=O)CCl)C(C)=O	79417024	YDUWKSOTAQVEBG-JTQLQIEISA-N	246.738	1.085	50	40	BDGB	
CCCc1nn2c(=O)cc(CCl)nc2s1	41077908	RQQMBZWYIQZRHK-UHFFFAOYSA-N	243.719	1.842	50	40	BDGB	
CC1(CC(=O)NN=C2CCCCC2)OCCO1	5415360	DILOOELEMYTCRD-UHFFFAOYSA-N	240.303	1.576	50	40	BDGB	
C[N+](C)(C)CC(=O)N/N=C/CCc1ccccc1	17002384	GLJFHZOBHRBQHD-RVDMUPIBSA-O	248.350	1.427	50	40	BDGB	
NNC(=O)CNc1cc(Cl)cc(Cl)c1	1732060	QUQDURMBJUFIEB-UHFFFAOYSA-N	234.086	1.395	50	40	BDGB	
C[N+](C)(C)CCOC(=O)CCBr	6268819	UFSXODUAOKSALH-UHFFFAOYSA-N	239.133	1.021	50	40	BDGB	in-vitro
Cc1ccc(CNC(=O)/C(C#N)=C/N(C)C)cc1	68575488	NZWZTTXIMSMNJR-JLHYYAGUSA-N	243.310	1.580	50	40	BDGB	in-vitro
CCOC(=O)/C(C#N)=C/Nc1cc(C)on1	100251459	QRKIETFXQTUBFJ-SOFGYWHQSA-N	221.216	1.366	50	40	BDGB	
O=N[C@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@H]1COC[C@H]21	100498167	IYAJFQMOIACNQB-QGMREWSDSA-N	201.653	1.641	50	40	BDGB	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)O	8198676	JZLVVCLFZFBBPJ-IZZDOVSWSA-N	239.234	1.864	50	40	BDGB	
COC(=O)[C@@H]1[C@H]2C[C@@H](Br)[C@@H]1CC2=O	225629749	HJVJEVYKBDLXPL-FEEAIGFJSA-N	247.088	1.148	50	40	BDGB	
COC(=O)/C=C1\CCCCN1C(=O)[C@H](C)Cl	96528465	MFZZZWVIUWSOQI-INTFFVIUSA-N	245.706	1.683	50	40	BDGB	
O=C(O)[C@H]1CC[C@H](I)C1	168682278	GZQHEJRBBBSWBA-WHFBIAKZSA-N	240.040	1.675	50	40	BDGB	
Cn1c(=O)n(CCCl)c2ccccc21	301648	FAYWLMRKCVLGHO-UHFFFAOYSA-N	210.664	1.579	50	40	BDGB	
CC(C)Cc1nnc(NC(=O)CCl)s1	3016612	LCHPALYUNYHSIQ-UHFFFAOYSA-N	233.724	1.914	50	40	BDGB	
O=C(c1ccccc1)[C@H](Br)[N+](=O)[O-]	6514713	ZBVSOJZWZUGUAY-MRVPVSSYSA-N	244.044	1.867	50	40	BDGB	
CCOC(=O)[C@H]1C=C(C#N)O[C@@H]2OCCC[C@@H]21	4267489	VGTJSJZCANETMB-SCVCMEIPSA-N	237.255	1.356	50	40	BDGB	
CCN(CC)P(=O)(N1C[C@@H]1C)N1C[C@@H]1C	104371434	XJQYOBYQBFQJBV-YYQOKVQXSA-N	231.280	1.845	50	40	BDGB	
COC(=O)N/N=C\c1ccc(N(C)C)cc1	29763942	WSBYAMLSZOGPJK-WQLSENKSSA-N	221.260	1.443	50	40	BDGB	
CC(=O)N[C@@]12CCCC(=O)[C@H]1CC=C(C#N)O2	68591913	KSGJHSUTDPAWEL-ZYHUDNBSSA-N	234.255	1.016	50	40	BDGB	
Cc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	82068212	VSJGSXSLWVNVGQ-XFFZJAGNSA-N	221.281	1.904	50	40	BDGB	
Cn1cccc1/C=N\NC(=O)c1cccs1	32313638	ZBARXLYVCNLMDC-WQLSENKSSA-N	233.296	1.851	50	40	BDGB	
CC(C)C(=O)NNC(=O)Nc1ccc(C#N)cc1	32779426	CHQZIMAKFRNJPC-UHFFFAOYSA-N	246.270	1.367	50	40	BDGB	
O=C(O)c1ccccc1N(CCO)CCCl	1762989	IYSIZFVGTYHRMO-UHFFFAOYSA-N	243.690	1.422	50	40	BDGB	
COc1cccc(/C=N/NC(=O)C2CC2)c1	1698771	LYGIJAWRJAONGO-MDWZMJQESA-N	218.256	1.555	50	40	BDGB	
COc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1	28496210	YRXLQVLCETVGGT-YRNVUSSQSA-N	242.278	1.881	50	40	BDGB	
O=C1OC(=O)C2=C1CC1=C(CC=CC1)C2	68568720	OFEAWVINAQSYGM-UHFFFAOYSA-N	202.209	1.807	50	40	BDGB	
CC[C@@H](Br)C(=O)OCCCl	5599218	LPBGILZUSWZKLI-RXMQYKEDSA-N	229.501	1.942	50	40	BDGB	
C/C(=N\NC(N)=O)c1cc2ccccc2oc1=O	4701573	YWXRHZSDLBBODR-VGOFMYFVSA-N	245.238	1.185	50	40	BDGB	
C/C=C(\C)C(=O)N/N=C/c1ccc(O)cc1O	1573979	OUYUXAASAYULAM-MTCUMXRMSA-N	234.255	1.514	50	40	BDGB	
CC(C)CC(=O)OCCBr	1584036	IVMBUHLVMUAWEL-UHFFFAOYSA-N	209.083	1.971	50	40	BDGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ncccn1	2518597	GGINKVJHGLEZTE-HJWRWDBZSA-N	230.271	1.911	50	40	BDGB	
O=C(O)CN1CCCC[C@@H]1CBr	79390361	TVMQRSHOXFFHMT-SSDOTTSWSA-N	236.109	1.320	50	40	BDGB	
O=C1[C@@H]2[C@@H](C(=O)N1CCCl)[C@H]1C=C[C@H]2C1	101027488	WBCYUPGJTFWHCV-JBDRJPRFSA-N	225.675	1.032	50	40	BDGB	
CCC[C@@H]1C[C@H](C#N)N(N(C)C)C1=C(C#N)C#N	4729892	OQKDHUQGASVMFK-ZYHUDNBSSA-N	243.314	1.778	50	40	BDGB	
C=CCOC[C@@H](CCl)OC(=O)C(C)C	2046265	AMLQYMDFIMMIAW-SECBINFHSA-N	220.696	1.996	50	40	BDGB	
CO[C@@H](C(=O)NN=C(C)C)c1ccccc1	20248920	RKCGWSNTAKILFI-LLVKDONJSA-N	220.272	1.886	50	40	BDGB	
O=C1N[C@H](Cc2ccc(F)cc2)C(=O)O1	118043636	FUXSSMSAWSOUSN-MRVPVSSYSA-N	209.176	1.003	50	40	BDGB	
CNC(=S)NNC(=O)c1ccccc1Cl	13659027	UKIBSYDNANYUAR-UHFFFAOYSA-N	243.719	1.079	50	40	BDGB	
COc1ccc(CBr)nn1	79438425	YQOVXILUIVATLU-UHFFFAOYSA-N	203.039	1.380	50	40	BDGB	
O=C1CC[C@@H](CI)O1	39186873	JINVQKMSBSYTHN-BYPYZUCNSA-N	226.013	1.127	50	40	BDGB	in-vitro
COc1ccc(/C=N\NC(C)=O)cc1[N+](=O)[O-]	33304745	DXLXXQHTQPGTFF-WDZFZDKYSA-N	237.215	1.073	50	40	BDGB	
CC1(C)C[C@H](CI)O1	72267061	NVLLHQRFWYOVSO-RXMQYKEDSA-N	226.057	1.989	50	40	BDGB	
Cc1cccc(/C=N/NC(=O)c2ccncc2)n1	254210	UKVYCOSAJCTRBN-OQLLNIDSSA-N	240.266	1.549	50	40	BDGB	
CCOc1ccccc1/C=N/NC(=O)C1CC1	1698764	SMAGFBBEGWRXFK-NTEUORMPSA-N	232.283	1.945	50	40	BDGB	
N#CC1=C(Cl)C(=O)C(C#N)=C(Cl)C1=O	155381	GLLMIZVPZWPYGP-UHFFFAOYSA-N	227.006	1.171	50	40	BDGB	
C/C=C/C=N/NC(=O)[C@H](O)c1ccccc1	3161538	ZDDJBQROXSWLJB-VYOMFSAXSA-N	218.256	1.398	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	2678411	MMVXNKVKGCZHLO-DHZHZOJOSA-N	228.251	1.601	50	40	BDGB	
NC(=O)N/N=C1\CCC[C@H]1c1ccccn1	4994762	VSICCGSPJVOABD-NGHKRQAXSA-N	218.260	1.373	50	40	BDGB	
O=C(CNC1CCCCC1)N/N=C/c1ccco1	409388891	XOZYSSRCQOPHLP-OQLLNIDSSA-N	249.314	1.652	50	40	BDGB	
CO[C@H]1CC[C@@H]2N[C@@H](Cl)C[C@@H](C(=O)O)[C@@H]2C1	4532487	CWGRCZUHVKLQCS-GENCIFFESA-N	247.722	1.429	50	40	BDGB	
CCOc1ccc(/C(C)=N/NC(N)=O)cc1	4723046	VLCOIGQWNPUBQS-MDWZMJQESA-N	221.260	1.478	50	40	BDGB	
CCOc1cccc(/C=C(\C#N)C(N)=O)c1O	5475917	PWQYARNAJPAXOO-RMKNXTFCSA-N	232.239	1.183	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccccc1C(=O)O	83259619	QJQLYUOBMQOZDL-QPEQYQDCSA-N	234.255	1.491	50	40	BDGB	
O=C(NCCCl)N1CCOc2ccccc21	95215876	IQERVULEENSFFI-UHFFFAOYSA-N	240.690	1.834	50	40	BDGB	
N#CCC(=O)N/N=C/c1c(F)cccc1Cl	58915838	SIWSTRCQNJXPRJ-MKMNVTDBSA-N	239.637	1.843	50	40	BDGB	
CCOc1ccc(/C=N/NC(=O)CC#N)cc1	143689	ZSIBVFTYIYGRQK-NTEUORMPSA-N	231.255	1.449	50	40	BDGB	
N#CCC(=O)N/N=C/c1ccc(Cl)s1	382193	GVZXOWCQWISPKT-VZUCSPMQSA-N	227.676	1.765	50	40	BDGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccncc1	5705273	RZILNFWTGIFZHJ-FXWNEQAGSA-N	227.267	1.763	50	40	BDGB	
CC1CCN([C@H](C)C(=O)NCCCCl)CC1	575423421	NEYQJQCNOFSIAP-LLVKDONJSA-N	246.782	1.852	50	40	BDGB	
N#C/C(=C/c1ccc(Br)o1)C(N)=O	288876	DSPQMKOMBMQWDD-HYXAFXHYSA-N	241.044	1.434	50	40	BDGB	
C/C(=N\NC(N)=O)[C@H]1CC2CCC1CC2	16999730	SMFGICBZVLOMMN-IPYLQQTPSA-N	209.293	1.857	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1cccn1C	43671	LCAXOSSYUVBPDH-VQHVLOKHSA-N	204.229	1.495	50	40	BDGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@@H]3O[C@@H]3C2)O1	5376988	NBDKOJSGJIGOBM-SOYHJAILSA-N	218.680	1.534	50	40	BDGB	
C[C@]1(Cl)CC(C#N)(C#N)C(C#N)=C(N)O1	539514	OFTISCQJIJAQLI-MRVPVSSYSA-N	222.635	1.089	50	40	BDGB	
CC1(C)[C@H]2CC[C@]1(CBr)C(=O)C2=O	2703511	XJXZFLDQSFSDQK-WKEGUHRASA-N	245.116	1.956	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(N(C)C)cc1	1684158	UFPYMTLVBJSQJK-UKTHLTGXSA-N	235.287	1.833	50	40	BDGB	
O=C1OC(=O)[C@]2(Br)[C@@H]3C=C[C@H](C3)[C@@H]12	100968459	CLTOWDKISUFHLB-SPPFEBNGSA-N	243.056	1.026	50	40	BDGB	
NNC(=O)[C@@H]1SCCc2ccccc21	62714333	WEJCQPITYOSFKE-SECBINFHSA-N	208.286	1.007	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(C#N)cc1	97990614	AZIXGCTUDHQAEM-QPEQYQDCSA-N	239.278	1.990	50	40	BDGB	
NNC(=O)c1cc(C(F)(F)F)ccc1F	75848436	NFCHFMBDKPBYBH-UHFFFAOYSA-N	222.141	1.448	50	40	BDGB	
COC1[C@H](OC)CC(C(=O)Cl)C[C@H]1OC	3847330	CTUAUKULOYQIOE-OMRMXDSLSA-N	236.695	1.207	50	40	BDGB	biogenic
OCc1ncccc1CBr	199710961	VEDUBEUQCHXFLO-UHFFFAOYSA-N	202.051	1.469	50	40	BDGB	
O=C(N/N=C/c1ccccn1)c1cccnc1	61843	COOCBOGUOCCDNY-OQLLNIDSSA-N	226.239	1.241	50	40	BDGB	
CCOC(=O)N/N=C/c1ccc(OC)cc1	171959	TWYYCLOUUFXRNE-XYOKQWHBSA-N	222.244	1.775	50	40	BDGB	
Cn1cc(C(=O)CCl)c(C(F)F)n1	1535639601	SPCIDFPILCUUKF-UHFFFAOYSA-N	208.595	1.779	50	40	BDGB	
O=C(N/N=C/c1ccccc1O)c1ccco1	62090	XWQSEQXGWIZLCN-MDWZMJQESA-N	230.223	1.749	50	40	BDGB	
COCCOC(=O)/C(C#N)=C/c1ccoc1	6453458	PWNASIGUTYXWHT-UXBLZVDNSA-N	221.212	1.376	50	40	BDGB	
COc1cc(/C=C(\C#N)C(N)=S)cc(OC)c1	408544637	WCAPCLSNBSDVEF-YCRREMRBSA-N	248.307	1.897	50	40	BDGB	
Cc1ccc(-c2ocnc2C(=O)NN)cc1	226101073	KJGHBRKPTMOKGU-UHFFFAOYSA-N	217.228	1.254	50	40	BDGB	
C[C@@H](Cl)c1nnnn1-c1ccccc1	32627402	NDGJFKRTKOOXHR-SSDOTTSWSA-N	208.652	1.962	50	40	BDGB	in-vitro
CC(=O)NNC(=O)c1ccc(Cl)cc1	304973	QGBZAMHUFINYCY-UHFFFAOYSA-N	212.636	1.121	50	40	BDGB	
CC(=N/O)/C(C)=N\NC(=O)c1ccncc1	8615423	FCDLMCBKQLRKSA-FFNMSDODSA-N	220.232	1.037	50	40	BDGB	
CN(C)c1ccc(SS(=O)(=O)O)cc1	1817417	YUILLBPAMAHZBQ-UHFFFAOYSA-N	233.314	1.648	50	40	BDGB	
Cc1nc2ccc(NC(=O)NN)cc2nc1C	408920676	KGQLCCWMNXUJMJ-UHFFFAOYSA-N	231.259	1.242	50	40	BDGB	
C[C@H](Cl)C(=O)NCc1cnn2ccccc12	77193726	ABBKEOIMPFJVKX-QMMMGPOBSA-N	237.690	1.578	50	40	BDGB	
C=CCOC[C@H](CCl)OC[C@@H]1CO1	5377401	GMSLBWASKZPQBY-DTWKUNHWSA-N	206.669	1.212	50	40	BDGB	
O=[N+]([O-])O[C@H]1CCCC[C@@H]1Br	1712222	FZGAJVREXRKCDM-WDSKDSINSA-N	224.054	1.901	50	40	BDGB	
O=C(CCl)NCc1cnn(-c2ccccc2)c1	36962975	WRVQAZRWHRUITH-UHFFFAOYSA-N	249.701	1.727	50	40	BDGB	in-vitro
COC(=O)N/N=C(\C)c1cccc(N)c1	12362409	QEGHHRIFYVTRME-KPKJPENVSA-N	207.233	1.349	50	40	BDGB	
COc1ccccc1/C=N\NC(=O)C(C)C	36092241	IEHCCCPQJIBUKU-JYRVWZFOSA-N	220.272	1.801	50	40	BDGB	
COc1cc([N+](=O)[O-])cc(C(=O)Cl)c1OC	57339939	QSUHFGZFNNOZIS-UHFFFAOYSA-N	245.618	1.991	50	40	BDGB	
COc1ccc2c(c1)C1=C(CC2)C(=O)OC1=O	104256221	GAPHZUOZXHMVEX-UHFFFAOYSA-N	230.219	1.478	50	40	BDGB	
N#CC(C#N)=C(N)CSc1ccccn1	15988086	XUHKWUAOAJHKEQ-UHFFFAOYSA-N	216.269	1.434	50	40	BDGB	
COc1ccc(/C=N/NC(C)=O)c(C)c1	409009700	HOCRNJWLKQBHNJ-KPKJPENVSA-N	206.245	1.474	50	40	BDGB	
BrC[C@@H]1CC(c2ccccn2)=NO1	217844280	RUWIOEDAIIHJBJ-ZETCQYMHSA-N	241.088	1.970	50	40	BDGB	
CCc1ccccc1-n1cccc1C(=O)NN	223733356	MVXOFCAROTYACK-UHFFFAOYSA-N	229.283	1.643	50	40	BDGB	
OB(O)c1cc2cccc(C(F)(F)F)c2s1	201310566	UMBJBSWXQQEIQK-UHFFFAOYSA-N	246.018	1.600	50	40	BDGB	
Cc1ccc2c(=O)c(/C=N/NC(N)=O)coc2c1	2356732	DUNOVRHSHAWBLK-LHHJGKSTSA-N	245.238	1.104	50	40	BDGB	
Cc1ccccc1/C=N/NC(=O)c1ccn(C)n1	6217895	LAQRMZSMNKPYCG-NTEUORMPSA-N	242.282	1.492	50	40	BDGB	
O=[N+]([O-])c1ccc([C@@H](O)CCl)cc1	28348	ZUJVGRUIXVTXOX-QMMMGPOBSA-N	201.609	1.867	50	40	BDGB	
CC1=C/C(=N\NC(=O)[C@@H]2CCCO2)CC1	43971127	VWKUTLUVHQBDSD-JMZICWNOSA-N	208.261	1.378	50	40	BDGB	
CCCCn1nccc1NC(=O)CCl	57214333	YABYFUUAITUBQF-UHFFFAOYSA-N	215.684	1.861	50	40	BDGB	
CN1CCC[C@H](CI)C1	79436938	MCRCECHTCHRKAM-SSDOTTSWSA-N	239.100	1.763	50	40	BDGB	
O=C(N/N=C\c1ccccc1O)C(F)(F)F	83328733	KYAULHVCLMZWIK-ACAGNQJTSA-N	232.161	1.405	50	40	BDGB	
Cc1cc(C(=O)O)ccc1NC(=O)CCl	9235599	HFRKTMHATDTBTC-UHFFFAOYSA-N	227.647	1.871	50	40	BDGB	in-vitro
NC(=O)N/N=C(\c1ccccc1)C1CCC1	5081708	XSKGLCLDBBJUDK-SDNWHVSQSA-N	217.272	1.859	50	40	BDGB	
[N-]=[N+]=CC(=O)CCCCC(=O)CCl	5429340	MAOZTBGQBVUKHR-UHFFFAOYSA-N	202.641	1.224	50	40	BDGB	
CCC[C@H](CC/C(C)=N\NC(N)=O)[N+](=O)[O-]	17158050	XWQLHAHPXYWCBK-XNYAHFKXSA-N	230.268	1.256	50	40	BDGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(N)=O	573830	KXLAEPIJKFCFMN-OQLLNIDSSA-N	246.314	1.597	50	40	BDGB	
CCC[C@@H](C(=O)NN)N1C[C@H](C)C[C@@H](C)C1	22123613	QDLVTGWISNJXDD-MXWKQRLJSA-N	227.352	1.123	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@H](CCCC3)[C@@H]12	104238576	URCPRWSOPFAFOE-AXTSPUMRSA-N	206.241	1.678	50	40	BDGB	
O=C(CCl)c1cn(-c2ccc(F)cc2)nn1	72266363	SRENTSCNVMTEKF-UHFFFAOYSA-N	239.637	1.828	50	40	BDGB	in-vitro
Cc1ccc(/C=C(/C#N)S(C)(=O)=O)s1	96765715	RPCYYTGKKKEHOP-UITAMQMPSA-N	227.310	1.966	50	40	BDGB	
O=C(N/N=C/c1ccncc1)c1cccnc1	59525	CVVWKZPOWLJYJW-OVCLIPMQSA-N	226.239	1.241	50	40	BDGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)C(F)(F)F	3921229	MFMFFPZXWWECFM-UHFFFAOYSA-N	249.148	1.600	50	40	BDGB	
O=C(CCOc1ccccc1)NNC(=O)C1CC1	7777032	NXZNBDWRTPIHRM-UHFFFAOYSA-N	248.282	1.013	50	40	BDGB	
CO[Si](C)(C)CCCOC[C@@H]1CO1	195755639	FBNXYLDLGARYKQ-SECBINFHSA-N	204.342	1.643	50	40	BDGB	
CC(=O)OCCCI	39241933	LSHRXKHZRVFVOU-UHFFFAOYSA-N	228.029	1.375	50	40	BDGB	
NS(=O)(=O)c1ccc(CCCl)cc1	39700	WKYSWWZJELJZLO-UHFFFAOYSA-N	219.693	1.115	50	40	BDGB	in-vitro
O=C(NCCCl)NC(C1CC1)C1CC1	1673718	QIIOQYAACVZBNH-UHFFFAOYSA-N	216.712	1.713	50	40	BDGB	
Cc1c(C(=O)NN)sc2ccccc12	1701062	WHDIYDYDOLXNND-UHFFFAOYSA-N	206.270	1.813	50	40	BDGB	
Cc1n[nH]c2c1[C@@H](C(C)C)C(C#N)=C(N)O2	6498619	PLRSBOAHFFFGNK-QMMMGPOBSA-N	218.260	1.544	50	40	BDGB	
O=C(O)c1ccccc1C(=O)OCCCl	3161530	YTFGPKHKZPYPFL-UHFFFAOYSA-N	228.631	1.780	50	40	BDGB	biogenic
CSc1nnc(NC(=O)CCl)s1	41011246	DISVIZDJLHHFCC-UHFFFAOYSA-N	223.710	1.437	50	40	BDGB	
O=C(NN=C1CCCCCC1)[C@@H]1CCCO1	43971030	HKDLWXNGZJCECG-NSHDSACASA-N	224.304	1.992	50	40	BDGB	
COc1ccccc1/C=C(/C#N)C(N)=S	5918777	BZQCVYKTBIVOBO-TWGQIWQCSA-N	218.281	1.888	50	40	BDGB	
O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	104130687	NCIFOAQKJBQKSO-HJQYOEGKSA-N	242.230	1.156	50	40	BDGB	
CC(=O)/C(C#N)=C1/Nc2ccccc2N1C	100745809	QMZKRDICJCUPOI-XFXZXTDPSA-N	213.240	1.872	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccccc1F	38205102	ZMKHHGBYRBWDMJ-QPEQYQDCSA-N	208.236	1.932	50	40	BDGB	
N#Cc1ccc(C(=O)N/N=C/c2ccco2)cc1	1094401	JRSVOWLSFLIVLL-OQLLNIDSSA-N	239.234	1.915	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccncc1	59333596	PGEXYCDMRVOUMI-YFHOEESVSA-N	201.229	1.077	50	40	BDGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NN)c2c1	4588632	ATEAZSURPXIWSE-UHFFFAOYSA-N	231.299	1.626	50	40	BDGB	
C[C@H]1CC(=O)[C@H](C)CN1C(=O)CCl	72433989	XYSFKXFNBIMWCN-RQJHMYQMSA-N	203.669	1.051	50	40	BDGB	
CC(C)OC(=O)C(F)(F)[S@@](=O)Cl	137625900	UJRYYXKEZOZJPB-LBPRGKRZSA-N	220.624	1.433	50	40	BDGB	
CCn1cc(-c2cc(=O)[nH]c(CCl)n2)cn1	96525769	VBBUNFGPTNFIDG-UHFFFAOYSA-N	238.678	1.392	50	40	BDGB	
NNC(=O)c1cccn1-c1ccccc1F	223731612	FGVNNVOLDRLMCP-UHFFFAOYSA-N	219.219	1.220	50	40	BDGB	
COC(=O)c1nn(CCl)cc1Cl	12394579	HCHLXRYCTHARKQ-UHFFFAOYSA-N	209.032	1.519	50	40	BDGB	
O=C(Cc1ccccc1)N/N=C\c1ccco1	33842836	UAELNGZUSDDWHP-UVTDQMKNSA-N	228.251	1.972	50	40	BDGB	
NCC(Br)Br	78198851	WLRXFHDCVUUTBF-UHFFFAOYSA-N	202.877	1.061	50	40	BDGB	
Br[C@@H]1CCc2oncc2C1	575425877	ZKVHWAVWGBLCEG-ZCFIWIBFSA-N	202.051	1.927	50	40	BDGB	
N#C[C@@]1(O)CCCN(Cc2ccccc2)C1	59261517	ZGGPVFSWIRIZNF-ZDUSSCGKSA-N	216.284	1.537	50	40	BDGB	in-vitro
O=c1oc(NCCCl)nc2ccccc12	1581408	KFSRFZLPZZONHH-UHFFFAOYSA-N	224.647	1.839	50	40	BDGB	
CCCCC(=O)N/N=C/c1ccc(O)cc1O	1702903	UTABSRCUIZJNJU-MDWZMJQESA-N	236.271	1.738	50	40	BDGB	
N[C@H]1CCCC[C@H]1I	1712374	RYTVLRWQAKLNTM-RITPCOANSA-N	225.073	1.691	50	40	BDGB	
O=C1CO[C@@H](CCl)CN1Cc1ccccc1	15019601	QSXZAOJHAYKPIB-NSHDSACASA-N	239.702	1.653	50	40	BDGB	
CN1CC[C@@H](I)C1	79436916	JRYHSOYEKJWMIB-RXMQYKEDSA-N	211.046	1.126	50	40	BDGB	
O=C(CCCl)Nc1cccc(CO)c1	37007000	XFQRCQQWXTYJKM-UHFFFAOYSA-N	213.664	1.746	50	40	BDGB	
NNC(=O)CSc1cccc2cccnc12	278538	VLEPVICXHRXSDR-UHFFFAOYSA-N	233.296	1.317	50	40	BDGB	
CCC(=O)NNC(=O)c1ccc(C)cc1	485203	WWMLHOGTPXFOHK-UHFFFAOYSA-N	206.245	1.166	50	40	BDGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	104057138	JQYGJEFBLOYFRC-BKFJMODKSA-N	206.241	1.678	50	40	BDGB	
O=C(N/N=C/c1ccccc1Cl)c1ccn[nH]1	4697397	PDHWFJRRCSBSPZ-VGOFMYFVSA-N	248.673	1.827	50	40	BDGB	
CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	97941736	LEVGEMOUBVHJCN-BKFJMODKSA-N	204.225	1.454	50	40	BDGB	
O=C1N[C@]2(CCc3ccccc3C2)C(=O)O1	95876481	XLMLWCKRUXEQDD-LBPRGKRZSA-N	217.224	1.181	50	40	BDGB	
SC1=NCCN=C(S)SS1	18323221	TTXSXEZBTCFTQU-UHFFFAOYSA-N	210.374	1.953	50	40	BDGB	
CN1[C@H]2CC[C@@H]1CC(OC(=O)CCCl)C2	2759601	YJHIXVZNCIVBIO-ULKQDVFKSA-N	231.723	1.784	50	40	BDGB	
N[P@](=O)(N(CCCl)CCCl)N1CC1	104392651	CFHGTHKTQFLBEK-ZDUSSCGKSA-N	246.078	1.148	50	40	BDGB	
O=C(CCl)NCC1(O)CCCCC1	82276892	NAQTWGAJEWJWAS-UHFFFAOYSA-N	205.685	1.037	50	40	BDGB	
O=P(c1ccc[nH]1)(c1ccc[nH]1)c1ccc[nH]1	80499101	AZMXXHRVPGTXRT-UHFFFAOYSA-N	245.222	1.310	50	40	BDGB	
CCC(=O)NNc1ccc([N+](=O)[O-])cc1	3921232	QHYSTAXXSKHOQP-UHFFFAOYSA-N	209.205	1.448	50	40	BDGB	
C/C(=N\NC(=O)C(C)C)C1(C)COCOC1	18194413	RVKHOLBBNOKQFQ-FMIVXFBMSA-N	228.292	1.145	50	40	BDGB	
Nc1ccccc1C(=O)N/N=C/C1=COCCC1	66089594	UNQOHTGUDFEYOY-OVCLIPMQSA-N	245.282	1.679	50	40	BDGB	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1occc1C	78904219	BYKGPZGDOPRYJF-VUUNSECVSA-N	248.282	1.646	50	40	BDGB	
C=CC(=O)OCCCCBr	5377188	WEHSKQWLOHYQNH-UHFFFAOYSA-N	207.067	1.891	50	40	BDGB	
COc1ccc(/C(C=O)=C\N(C)C)cc1	12504944	WPKNYBNGZIOLDO-FLIBITNWSA-N	205.257	1.797	50	40	BDGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)CC(=O)N2	11770395	BESQJFHKNJTFCI-LURJTMIESA-N	223.659	1.991	50	40	BDGB	
CCCCC#Cc1cncc(C(=O)NN)c1	2570482	IJXSAUYUKUXSHR-UHFFFAOYSA-N	217.272	1.227	50	40	BDGB	
CC1(C)[C@H]2CC[C@]1(C(=O)Cl)C(=O)C2=O	100198116	VSGWZEXTHLODJA-XUOSJQGZSA-N	214.648	1.326	50	40	BDGB	
COCC(CI)COC	72194266	SMYDQHPDCWXLDS-UHFFFAOYSA-N	244.072	1.330	50	40	BDGB	
CC(C)n1c(CCl)cnc1S(C)(=O)=O	47219281	DHBCHSCBCLUCEH-UHFFFAOYSA-N	236.724	1.606	50	40	BDGB	
CC(C)CC1C(C#N)=C(N)SC(N)=C1C#N	19848316	KLEHPSKPKZWBSH-UHFFFAOYSA-N	234.328	1.783	50	40	BDGB	
COC[C@H]1CCCCN1C(=O)CCl	79392014	FDMLFZOJDQDBIU-MRVPVSSYSA-N	205.685	1.253	50	40	BDGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccco1	2353723	OIGJLQGALITQTM-NTUHNPAUSA-N	246.222	1.455	50	40	BDGB	
O=C(CCl)NCc1ccc(C(=O)O)cc1	2650192	VZLSDUUGXHOISG-UHFFFAOYSA-N	227.647	1.240	50	40	BDGB	in-vitro
CN(C)C1=NC[C@H](CBr)S1	4462541	BJQQHLDEBIPOEE-YFKPBYRVSA-N	223.139	1.414	50	40	BDGB	
CCCc1ccc(C(=O)NN)n1CCC	226025717	AIIKRNNUPIGTDA-UHFFFAOYSA-N	209.293	1.454	50	40	BDGB	
Cc1ccoc1/C=N/NC(=O)c1ccncc1	28466	YUZSYYJXAJHYBH-RIYZIHGNSA-N	229.239	1.747	50	40	BDGB	
O=S1(=O)[C@H]2C=CC[C@@H]1[C@@H](Cl)CC2	1659981	ZEAOMAZLLAHTAP-BIIVOSGPSA-N	206.694	1.500	50	40	BDGB	
O=C(CCl)Nc1ccsc1C(=O)O	159899	JAJLPBZRUPBQIK-UHFFFAOYSA-N	219.649	1.624	50	40	BDGB	
N#C[C@H](Cl)CNC(=O)Oc1ccccc1	6575463	XWLMBCKYIMKTHI-QMMMGPOBSA-N	224.647	1.906	50	40	BDGB	
O=C(NNC(=S)S)c1ccccc1	6578643	JMMKGTUOCKZWFD-UHFFFAOYSA-N	212.299	1.136	50	40	BDGB	
O=C(CCl)Nc1nnc(CC(F)(F)F)o1	57218453	RSQOVNGMOGJHNI-UHFFFAOYSA-N	243.572	1.352	50	40	BDGB	in-vitro
COCCOc1ccc(/C=C(/C#N)C(N)=O)cc1	71885893	WVBSPGIYRSPJAD-FLIBITNWSA-N	246.266	1.104	50	40	BDGB	
CCn1cc(C2CC(=O)OC(=O)C2)c(C)n1	217688816	PCBVORZUVKLETO-UHFFFAOYSA-N	222.244	1.159	50	40	BDGB	
N#CC1=C(N)CN(c2cccc(F)c2)C1	96526615	KPXFBCNOQWJSMI-UHFFFAOYSA-N	203.220	1.382	50	40	BDGB	
OC[C@@H](Br)Cc1ccccc1	36467400	HDBKHJLRENAESY-VIFPVBQESA-N	215.090	1.985	50	40	BDGB	
C/C(=N\NC(N)=O)[C@@H]1CC2CCC1CC2	16999727	SMFGICBZVLOMMN-SCEWVMLLSA-N	209.293	1.857	50	40	BDGB	
O=[N+]([O-])O[C@H]1CCCC[C@H]1Br	1712220	FZGAJVREXRKCDM-RITPCOANSA-N	224.054	1.901	50	40	BDGB	
O=C1N[C@H](CCCl)Oc2ccccc21	138	YEKMWXFHPZBZLR-VIFPVBQESA-N	211.648	1.764	50	40	BDGB	in-man
Cc1cc(C)nc(NNC(=O)[C@@H]2CC=CCC2)n1	22233984	ISQCCFPGVGUSGA-LLVKDONJSA-N	246.314	1.893	50	40	BDGB	
CCn1nccc1NC(=O)[C@H](C)Br	225814066	ZSDYBBNOFVKXHJ-LURJTMIESA-N	246.108	1.625	50	40	BDGB	
O=C1[C@@H]2[C@H]3[C@@H](Br)[C@H]4[C@@H]5C[C@@H]([C@H]2[C@@H]35)[C@@H]14	245263905	BMBLHKXXRVKSGM-BYIXFQRLSA-N	239.112	1.707	50	40	BDGB	
COc1cc(C(=O)NN)ccc1OC(C)C	2650775	ZFWGCOPUKPGJNY-UHFFFAOYSA-N	224.260	1.086	50	40	BDGB	
N#CSCC(=O)Nc1ccc2c(c1)OCO2	216874846	NEAWHEOAGPTGLP-UHFFFAOYSA-N	236.252	1.568	50	40	BDGB	
N#C/C(N)=C(C#N)\N=C/c1ccccc1[N+](=O)[O-]	91302303	GWSCSOMMIYMXOK-CAYYYLOZSA-N	241.210	1.231	50	40	BDGB	
O=C1N[C@H](c2c(F)cccc2F)C(=O)O1	1772714901	CJRZQZGKKBOSQG-SSDOTTSWSA-N	213.139	1.272	50	40	BDGB	
Cc1cc(NNC(=O)c2cccnc2)nc(C)n1	530553	PWAILUMSZCEZOH-UHFFFAOYSA-N	243.270	1.245	50	40	BDGB	
C[C@H]1CN(C(=O)[C@@H](C)Cl)C[C@H](C)O1	6047022	CQXVMOSWWGTUHF-BIIVOSGPSA-N	205.685	1.250	50	40	BDGB	
N#CC1=C(O)SC(N)=C2C(=N)n3cccc3[C@H]12	20459272	FAJGGZJUMYDNKF-ZETCQYMHSA-N	244.279	1.621	50	40	BDGB	
CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1	59515994	XSFPJAOQRRPLAP-NTEUORMPSA-N	247.298	1.051	50	40	BDGB	
Cc1ccc2[nH]c(C)c(CC(=O)NN)c2c1	4575578	SFYUPBJYDHUABM-UHFFFAOYSA-N	217.272	1.317	50	40	BDGB	
CC(=O)C/C(C)=N\NC(=O)c1ccncc1	100053450	ZCQNZSDBAMZCED-JYRVWZFOSA-N	219.244	1.166	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc([N+](=O)[O-])o1	5196442	BPWJVJQGZGBDJH-UITAMQMPSA-N	227.176	1.268	50	40	BDGB	
N[C@H](C(=O)O)c1ccc(CBr)cc1	6512329	JYOLFOPMVNJWKP-QMMMGPOBSA-N	244.088	1.666	50	40	BDGB	
O=C(CCl)NCCN1CCc2ccccc21	62146621	ASFHHDDCCDCZQY-UHFFFAOYSA-N	238.718	1.404	50	40	BDGB	in-vitro
O[C@@H](CCl)CI	85903765	NNKLXTNMYBPXIB-VKHMYHEASA-N	220.437	1.021	50	40	BDGB	
O=C(N/N=C\c1ccccc1)c1[nH]nnc1Cl	33428846	VUFIMEXSQYSTSC-SDQBBNPISA-N	249.661	1.222	50	40	BDGB	
O=CN1CCc2cc(C(=O)CCl)ccc21	32627296	LLCRAYZJRHFGOQ-UHFFFAOYSA-N	223.659	1.627	50	40	BDGB	in-vitro
COCc1cccc(CNC(=O)CCl)c1	37993138	KDLUQLLJSZKKCN-UHFFFAOYSA-N	227.691	1.688	50	40	BDGB	in-vitro
COC(=O)c1cccc(NC(=O)CCl)n1	96034512	LANIZQHHVOCSBP-UHFFFAOYSA-N	228.635	1.046	50	40	BDGB	in-vitro
C[C@H](Cl)C(=O)N1CC(=O)Nc2ccccc21	8231185	WAXPDZKONOCMDU-ZETCQYMHSA-N	238.674	1.599	50	40	BDGB	
CC(C)Oc1ccc(/C=C(\C#N)C(N)=O)cc1	408869494	SIYGZYWRJGDXRY-YRNVUSSQSA-N	230.267	1.866	50	40	BDGB	
CN(C)C(=O)CCCCBr	41217027	JVDQMLSBQJHGMR-UHFFFAOYSA-N	208.099	1.640	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1ccccn1	235869	ZVPIXOUQAVXJRI-VQHVLOKHSA-N	202.213	1.552	50	40	BDGB	
CCCOC(=O)[C@]1(CCl)CCC(=O)O1	5785183	OMPVWYUIUKQOQX-SECBINFHSA-N	220.652	1.254	50	40	BDGB	
COC(=O)N/N=C/c1ccc(OC)c(O)c1	491885	LKLNXYAXPOZXKS-IZZDOVSWSA-N	224.216	1.091	50	40	BDGB	
ClCc1noc(C2CCOCC2)n1	57217722	STSMBDHYMUONLN-UHFFFAOYSA-N	202.641	1.702	50	40	BDGB	in-vitro
O=C(NCCCl)Nc1ccc2c(c1)OCO2	15020384	BTFJOSDYSXVDDD-UHFFFAOYSA-N	242.662	1.776	50	40	BDGB	
COc1ccc(N(C)C(=O)CCl)cc1	8375166	QJCJMBSFRSSXCB-UHFFFAOYSA-N	213.664	1.897	50	40	BDGB	
CCOC(=O)C(C#N)=C1SCCS1	4293602	WDHGYYSNZDLPIH-UHFFFAOYSA-N	215.299	1.765	50	40	BDGB	biogenic
CC1=C(C#N)O[C@@H](N2CCCC2=O)C[C@@H]1C	4267422	KPYAHKORMFXMTB-QPUJVOFHSA-N	220.272	1.789	50	40	BDGB	biogenic
CC[C@H](C)NC(=O)[C@@H](C)Br	34196687	HFJATYJXQDZHGW-NTSWFWBYSA-N	208.099	1.685	50	40	BDGB	
C/C(=N\NC(=O)C[n+]1ccccc1)C(C)C	5380188	CNTVSAPNHXEEGP-ACCUITESSA-O	220.296	1.122	50	40	BDGB	
COC(=O)C1CCN(C(=O)[C@H](C)Cl)CC1	19430746	XDISJWHUULUQQM-ZETCQYMHSA-N	233.695	1.025	50	40	BDGB	in-vitro
COC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1	6312293	RJWCVONMIFUSFL-RIYZIHGNSA-N	249.270	1.725	50	40	BDGB	
COc1ccc(OC(C)=O)c(/C=C\C=O)c1	17426917	XPJKYWMUQGDKNE-ARJAWSKDSA-N	220.224	1.833	50	40	BDGB	
Cc1cccc2c1N=C(O)/C2=N\NC(=O)C1CC1	6684294	SVIYOSJBZSDJQH-UHFFFAOYSA-N	243.266	1.827	50	40	BDGB	
O=C(Cl)CN1CCc2ccccc2C1	22011014	NJXAWHRJXPRXPS-UHFFFAOYSA-N	209.676	1.810	50	40	BDGB	
CC(=O)N/N=C(\C)c1ccc2c(c1)OCO2	15938572	SXZFSXLMTDKIQO-KPKJPENVSA-N	220.228	1.275	50	40	BDGB	
CC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)CCl	79417009	MFDRIYREDBHJTD-ZJUUUORDSA-N	246.738	1.131	50	40	BDGB	
Cc1ccc(SC(F)(F)C(=O)NN)cc1	85397063	GHKBTJKVTLZXAS-UHFFFAOYSA-N	232.255	1.670	50	40	BDGB	
Nc1ccc2c(c1)C(=O)N[C@H](CCCl)O2	28	PCYLDXMXEPSXFW-VIFPVBQESA-N	226.663	1.346	50	40	BDGB	
CCCC(=O)NNC(=O)c1ccccc1F	8569524	WWWMSHYUAXNEPH-UHFFFAOYSA-N	224.235	1.387	50	40	BDGB	
C[C@@H](O)C(=O)N/N=C/c1cccc(Cl)c1	59515971	NSJKJIBLBOYIHN-LFKKQGMHSA-N	226.663	1.171	50	40	BDGB	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1	3201549	IFLXDVZKUJKDHB-UHFFFAOYSA-N	236.271	1.856	50	40	BDGB	
FC(F)(F)[C@H](Br)COC[C@H]1CO1	1083807918	CLVRTYMKWAIHGQ-CRCLSJGQSA-N	249.026	1.728	50	40	BDGB	
C[C@H]1CCCC[C@H]1OCCNC(=O)CCl	60273317	RVMIESYPNSHJQN-VHSXEESVSA-N	233.739	1.937	50	40	BDGB	in-vitro
CC[C@H](C)c1ccc(OCC(=O)NN)cc1	586031	LHAGSMCHWJZCGT-VIFPVBQESA-N	222.288	1.569	50	40	BDGB	in-vitro
CCC(=O)OC[C@H](CCl)OC(=O)CC	1676997	GKBJJKSFBRKTIY-ZETCQYMHSA-N	222.668	1.500	50	40	BDGB	
O=C(Cl)N1CCN(c2ccccn2)CC1	19702388	BRRZSLZZTOPNLG-UHFFFAOYSA-N	225.679	1.562	50	40	BDGB	in-vitro
CCOC(=O)N/N=C1/CCCc2c1cnn2C	95949800	YRELIRKXOOIFDH-LCYFTJDESA-N	236.275	1.207	50	40	BDGB	
CCCOc1ccccc1/C=N\NC(N)=O	33346400	CALANLIQWQFMJL-JYRVWZFOSA-N	221.260	1.478	50	40	BDGB	
CC(=O)N1CCC[C@H](Br)C1	79436803	ZLEFMBFCUAGCCW-ZETCQYMHSA-N	206.083	1.392	50	40	BDGB	
N#C/C(=C/c1ccccc1Cl)C(=O)NC(N)=O	222259022	KCRLPDSQLXHDPU-YVMONPNESA-N	249.657	1.442	50	40	BDGB	
CN1CCC[C@H](CN(C)C(=O)CCl)C1	79406473	CEIIIVSFGBJANK-VIFPVBQESA-N	218.728	1.025	50	40	BDGB	
O=C1CC(c2cnn(CC3CC3)c2)CC(=O)O1	217687596	QUFGPWWKKAPJTM-UHFFFAOYSA-N	234.255	1.240	50	40	BDGB	
NN[C@@H]1c2ccccc2CC[C@@H]1Br	199539307	RDNNJBOPJQATNR-VHSXEESVSA-N	241.132	1.901	50	40	BDGB	
CC1=CC(C)(C)N(CC(=O)NN)c2ccccc21	223188349	CTPOUSUIXGVELD-UHFFFAOYSA-N	245.326	1.678	50	40	BDGB	
Cc1cccc([C@@H](O)[C@@H](Cl)S(C)(=O)=O)c1	96518891	HUVAKZASXOADTD-ZJUUUORDSA-N	248.731	1.638	50	40	BDGB	
Cc1cc(/C=C(/C#N)C(N)=O)ccc1F	71857478	KRACWDOAAIWHTI-UITAMQMPSA-N	204.204	1.526	50	40	BDGB	
CCOC(=O)/C(C#N)=C/Nc1ccsn1	100206140	AYRQQYHZDCTLFY-VOTSOKGWSA-N	223.257	1.526	50	40	BDGB	
CCCCC[C@@H]1C[C@H](O)C=C(C)[C@@H]1C(=O)NN	5156275	PPCFHJICCBNMPT-UTUOFQBUSA-N	240.347	1.500	50	40	BDGB	
COc1cc(/C=N\O)cc(SC#N)c1O	409058843	UBPGLMYFRABZLZ-WCIBSUBMSA-N	224.241	1.782	50	40	BDGB	
Cc1ccc2ccc(C(=O)NN)nc2c1	39119581	XCLFAFWOKHTTOC-UHFFFAOYSA-N	201.229	1.147	50	40	BDGB	
N#C/C(=C/c1ccc(F)cc1F)C(=O)O	45010067	UQLFCBBYHQBVQY-CLTKARDFSA-N	209.151	1.956	50	40	BDGB	
O=C(CBr)c1cccnc1F	140748739	NOXWVWKWMQBJRT-UHFFFAOYSA-N	218.025	1.798	50	40	BDGB	
CN1C(c2ccccc2)=C(C=O)Cn2ncnc21	96300590	ZLSUYTROCDPTMU-UHFFFAOYSA-N	240.266	1.338	50	40	BDGB	
CC(C)(C)[Si](C)(C)OC[C@H]1COCC(=O)N1	265540646	LHEXPJVHTNJFSZ-SECBINFHSA-N	245.395	1.523	50	40	BDGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1C	555332	NCCRGMVETIHOJT-KPKJPENVSA-N	243.310	1.828	50	40	BDGB	
CCn1c(C)c(/C=N/NC(N)=O)c2ccccc21	5985904	VSHVHWBZGUPNIF-OVCLIPMQSA-N	244.298	1.972	50	40	BDGB	
CC/C(C)=N/NC(=O)c1ccccc1O	5295026	DGHXOUMYRXAXMJ-XYOKQWHBSA-N	206.245	1.908	50	40	BDGB	
O=C(O)[C@H](c1ccccc1)[C@@H](Cl)C(=O)O	1753261	NGZHTYMBEZQKIN-HTQZYQBOSA-N	228.631	1.547	50	40	BDGB	
CCCCCCNC(=S)NNC(=O)OC	6264051	XYKGKGLXTDBWGV-UHFFFAOYSA-N	233.337	1.302	50	40	BDGB	
CC(=O)N/N=C/c1ccccc1OC(C)C	58629050	MSLIEDZYZYWTCC-MDWZMJQESA-N	220.272	1.944	50	40	BDGB	
CC(=O)N/N=C/c1ccc(OC(C)=O)cc1	58822286	YUXCNCURNZNQRA-KPKJPENVSA-N	220.228	1.082	50	40	BDGB	
NNC(=O)c1ccc2cc(O)ccc2c1	67802532	SDYWVFWTKNGYJW-UHFFFAOYSA-N	202.213	1.149	50	40	BDGB	
N#Cc1cccc(CNC(=O)CCl)c1	35248235	RAMQKHGLXFTLFI-UHFFFAOYSA-N	208.648	1.413	50	40	BDGB	
C[C@@H](Cl)C(=O)Nc1ccnc(N(C)C)c1	257197694	GNMYGOLNMUITPL-SSDOTTSWSA-N	227.695	1.713	50	40	BDGB	
C/C(=N\NC(N)=O)[C@H]1C[C@H](CC(C)C)C(=O)O1	270754	XGSGWQPVGYSNRK-IWLYLNEASA-N	241.291	1.008	50	40	BDGB	
CCC[C@H](C(=O)NN)N1CCCC[C@@H]1C	22123579	NWRJGDWUGCHPSY-VHSXEESVSA-N	213.325	1.019	50	40	BDGB	
CC(C)N(C[C@@H]1CCCN(C)C1)C(=O)CCl	79406654	XFOQRXZPNUYVBQ-LLVKDONJSA-N	246.782	1.804	50	40	BDGB	
CCn1ncc(C2=NO[C@H](C(=O)Cl)C2)c1C	85347604	WOHOTMKEDSODPL-VIFPVBQESA-N	241.678	1.470	50	40	BDGB	
O=C(N/N=C/c1cccc(O)c1)c1cccnc1	244544	VVBHZYORPZZPPE-OVCLIPMQSA-N	241.250	1.551	50	40	BDGB	
Cc1ccc(C[C@@H](C#N)C(N)=C(C#N)C#N)cc1	6565333	XJCIWJVUIOKHDP-LBPRGKRZSA-N	236.278	1.937	50	40	BDGB	
O=C(N/N=C1\C[C@H]2C=CC[C@@H]12)c1ccncc1	20754361	RZILNFWTGIFZHJ-JUPAPPBASA-N	227.267	1.763	50	40	BDGB	
CCOc1cc(C(=O)NN)ccc1OC(C)C	216882758	PMBDZBSTGZTLHD-UHFFFAOYSA-N	238.287	1.476	50	40	BDGB	
O=CN/N=C/c1cc(Br)ccc1O	1710942	PESMXXQWCZSXOS-ONNFQVAWSA-N	243.060	1.235	50	40	BDGB	
O=C(CCl)NCC(=O)c1ccccc1	20428697	FQSDPNWLPHANMB-UHFFFAOYSA-N	211.648	1.224	50	40	BDGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)O)cc1	59515347	SCBXBPHRUBNABP-WWNSAXIVSA-N	234.299	1.641	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(C5CC5)=C[C@@H]43)[C@@H]12	104188401	CFDWKHCYBDTMRV-OWYQUSFFSA-N	242.274	1.700	50	40	BDGB	
COc1cccc(/C=N\NC(=O)C(C)C)c1O	58885410	JUQPYUXDMPDMKR-QPEQYQDCSA-N	236.271	1.507	50	40	BDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)NC1CC1	2768367	ZAHFISIONJEVNP-FNORWQNLSA-N	247.210	1.373	50	40	BDGB	
Cc1cc(C)n(CCCNC(=O)CCl)n1	3415941	ABYNLYLKWXQFBW-UHFFFAOYSA-N	229.711	1.245	50	40	BDGB	
O=C(N/N=C\c1cccnc1)c1ccccc1	33287674	JCVMRRDGCPODBY-GDNBJRDFSA-N	225.251	1.846	50	40	BDGB	
CCOC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	31623969	CIWVKNCZQCVDAY-XFFZJAGNSA-N	237.215	1.675	50	40	BDGB	
O=C(NNc1cccc(F)c1)C1CCNCC1	228937074	UEPYGCXRLVBUSE-UHFFFAOYSA-N	237.278	1.268	50	40	BDGB	
O=C(CCl)N(C[C@H]1CCOC1)C1CC1	37834587	VFMDBZPXRIDRPD-MRVPVSSYSA-N	217.696	1.253	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	3162903	AZRGXWOJBFHMQW-NYYWCZLTSA-N	242.622	1.250	50	40	BDGB	
NNC(=O)[C@H](S)Cc1ccccc1Cl	12274182	GXCSOTDNCKIIBZ-MRVPVSSYSA-N	230.720	1.171	50	40	BDGB	
CN(C)NC(=O)Nc1cccc([N+](=O)[O-])c1	2164759	LTNWWUDRMNCZAZ-UHFFFAOYSA-N	224.220	1.193	50	40	BDGB	
O=C1OC(=O)[C@@H]2CCCC3CCC[C@@H]1C32	73370056	WDIMUBDLUKCUID-DSAQSWLYSA-N	208.257	1.902	50	40	BDGB	
BrCCOC[C@@H]1CCCCO1	19415135	HYKIMIVKNMYPNW-QMMMGPOBSA-N	223.110	1.967	50	40	BDGB	in-vitro
ICN1CCCC1	14983070	IRDXQTMQWOPUMQ-UHFFFAOYSA-N	211.046	1.475	50	40	BDGB	
CC/C(C)=N\NC(=O)c1n[nH]c2c1CCC2	16577092	LVPVQFOKGXIACA-GHXNOFRVSA-N	220.276	1.414	50	40	BDGB	
N#C/C(=C\c1ccc2c(c1)CCC2)C(N)=O	1709569	BCGUVFPXGYUASF-KPKJPENVSA-N	212.252	1.568	50	40	BDGB	
Cc1ccc(C(=O)N/N=C/c2ccc[nH]2)o1	6278902	IGQCYKPYROWLLZ-NTUHNPAUSA-N	217.228	1.680	50	40	BDGB	
CC(C)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3161182	SIPOYKIAGXMWSH-KPKJPENVSA-N	235.243	1.701	50	40	BDGB	
O=C(O)CC[C@@H](Br)CC(=O)O	1654172	SSEAMBYEAMGZFC-SCSAIBSYSA-N	225.038	1.089	50	40	BDGB	
CCCCC[C@H]1[C@@H](O)CC[C@@H]1CC(=O)NN	4587575	LEMDCLIXAOKCTJ-MXWKQRLJSA-N	228.336	1.334	50	40	BDGB	
O=C(CCl)NC(=O)Cc1ccccc1	3886231	SLFPDCYXEHCGCK-UHFFFAOYSA-N	211.648	1.111	50	40	BDGB	
O=C(CCl)Nc1cccc2c1OCCO2	4843977	WZNWRMVHEMQJPJ-UHFFFAOYSA-N	227.647	1.635	50	40	BDGB	
CN1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	33377935	CCWZOESDAWOVDA-MKMNVTDBSA-N	245.301	1.938	50	40	BDGB	
NC(=O)N/N=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	104120482	QFGGWQCIRBTVNP-CRHOGPCLSA-N	207.277	1.467	50	40	BDGB	
N#CC(C#N)=C(N)[C@H](C#N)Cc1ccc(C#N)cc1	16043875	IUYXZVKLRACNRA-LBPRGKRZSA-N	247.261	1.501	50	40	BDGB	
CC(C)(C)n1cc(C2CC(=O)OC(=O)C2)cn1	217687413	GQPUWDAQQVADKV-UHFFFAOYSA-N	236.271	1.585	50	40	BDGB	
C=CCn1c(CCl)cnc1S(C)(=O)=O	47219298	RECDIYJMTHCOQI-UHFFFAOYSA-N	234.708	1.211	50	40	BDGB	
CCO[Si](C)(CCCCN)OCC	195751657	YHFFINXFNYQPQA-UHFFFAOYSA-N	205.374	1.870	50	40	BDGB	
COc1ccc(NP2(=O)NCCCN2)cc1	95570085	BLVCWKNHVJTARZ-UHFFFAOYSA-N	241.231	1.798	50	40	BDGB	
O=C(CCl)Nc1cccc2c1C(=O)C=CC2=O	78549621	AYKGUUZSEHCUDV-UHFFFAOYSA-N	249.653	1.799	50	40	BDGB	
O=C(CCl)N1CCO[C@H]2CCCC[C@@H]21	37654186	UVKJCEYCJSFAEU-IUCAKERBSA-N	217.696	1.395	50	40	BDGB	in-vitro
NNC(=O)Nc1ccc(Cl)c(Cl)c1	2169717	GJSBGSQJDXDYQD-UHFFFAOYSA-N	220.059	1.989	50	40	BDGB	
BrC[C@@H]1CN=C(N2CCCC2)S1	3099590	IEGIUJRRGFFJNZ-SSDOTTSWSA-N	249.177	1.949	50	40	BDGB	
CC1(C)CC(NC(=O)CCl)CC(C)(C)N1	3885235	QIPFOZDVGCESRF-UHFFFAOYSA-N	232.755	1.651	50	40	BDGB	
COCCOCCI	34721526	CJXAGOKSVZAZAI-UHFFFAOYSA-N	230.045	1.084	50	40	BDGB	in-vitro
Cc1ccc2nc(C)cc(OCC(=O)NN)c2c1	98087191	UPEUHCGPTRRYOH-UHFFFAOYSA-N	245.282	1.220	50	40	BDGB	
COc1c(/C=C\C=O)cc2c(c1OC)OCO2	15119207	UQBPCDWQJZVCPU-ARJAWSKDSA-N	236.223	1.645	50	40	BDGB	endogenous,in-man
Cc1ccc2c(c1)C(=O)N1CC(=O)C(C#N)=C1N2	102141009	VWZAMWSAVPCRPU-UHFFFAOYSA-N	239.234	1.181	50	40	BDGB	
CCOc1cccc(CNC(=O)CCl)c1	37654257	FHZFHAJJOWTUGH-UHFFFAOYSA-N	227.691	1.940	50	40	BDGB	in-vitro
COc1ccc(CNC(=O)[C@@H](C)Cl)cc1	3252710	VFZAWPSHQDNJNP-MRVPVSSYSA-N	227.691	1.939	50	40	BDGB	
N#CCC(=O)N/N=C1\CCCc2ccccc21	5670033	UFCUKFYFFKYVEP-NTCAYCPXSA-N	227.267	1.757	50	40	BDGB	
CCn1c(C)cc(/C=N/NC(N)=O)c1C	112633148	MJBLMTMDQXFGPP-WUXMJOGZSA-N	208.265	1.127	50	40	BDGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC)o1	39127432	CXQOCVOAOFWVHL-NTMALXAHSA-N	247.298	1.779	50	40	BDGB	
CCOc1ccccc1/C=N\NC(=O)O	31628749	JTLXDXCWVADHAD-XFFZJAGNSA-N	208.217	1.687	50	40	BDGB	
CC(C)N(C[C@@H]1CCN(C)C1)C(=O)CCl	79406622	XPEXAPFQNXWOQC-SNVBAGLBSA-N	232.755	1.414	50	40	BDGB	
C[C@H](OC(=O)CCl)[C@H](C)OC(=O)CCl	2048072	GQLLNRQZPDXYSF-WDSKDSINSA-N	243.086	1.327	50	40	BDGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3CC[C@@H]4C3)[C@@H]12	104292912	WKFRPTFLKPBUEG-KEJAVOQRSA-N	230.263	1.678	50	40	BDGB	
CN(C)[C@@H](CNC(=O)CCl)c1ccccc1	2650721	RWCNXEVVCHMBOK-NSHDSACASA-N	240.734	1.644	50	40	BDGB	in-vitro
O=C(CN1CCCCC1)N/N=C/c1ccccn1	408859188	MSKBGRRZDGMRPS-XNTDXEJSSA-N	246.314	1.018	50	40	BDGB	
Cc1cccc(-n2cccc2C(=O)NN)c1C	223723449	YJHIZGJLNYBLBQ-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
Br[C@H]1CCc2n[nH]cc2C1	575425867	ZFCOPBXKMLHTCJ-LURJTMIESA-N	201.067	1.662	50	40	BDGB	
CC(C)[C@@H](Br)C(=O)N(C)C	19386155	POEPTKGZCYUKLO-ZCFIWIBFSA-N	208.099	1.494	50	40	BDGB	in-vitro
O=C(O)CC(Br)Br	1621865	NFWAKSARCKVZTF-UHFFFAOYSA-N	231.871	1.577	50	40	BDGB	
Cc1cccc(C)c1NC(=O)NNC(N)=S	6491269	WGKUZIANAHYXLK-UHFFFAOYSA-N	238.316	1.173	50	40	BDGB	
CC1=C/C(=N\NC(N)=O)[C@@H]2C[C@@H]1C2(C)C	100314846	AMCLRNJZSCFOAC-NQJWWLFLSA-N	207.277	1.633	50	40	BDGB	
Cc1nonc1-c1noc(CCl)n1	6658071	ZPXGENUHFOVFQE-UHFFFAOYSA-N	200.585	1.167	50	40	BDGB	
O=C(Cl)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Cl	95736149	KANQIAARVSWKKG-UMRXKNAASA-N	219.067	1.956	50	40	BDGB	
O=C(CBr)c1cncs1	39055419	ZKRUDPZDHZBPDZ-UHFFFAOYSA-N	206.064	1.721	50	40	BDGB	
COC(=O)NNC(=O)Nc1ccc(OC)cc1	5513795	BKJWKBLENOYCPT-UHFFFAOYSA-N	239.231	1.088	50	40	BDGB	
COc1c(O)c(/C=C\C(=O)NN)cc2ccoc12	5699338	PHEXJXQYHJMKPA-IHWYPQMZSA-N	248.238	1.150	50	40	BDGB	
Cc1noc2c1[C@@H](c1ccco1)C(C#N)=C(N)O2	5792693	YJCRTJYMUWNYHY-SNVBAGLBSA-N	243.222	1.794	50	40	BDGB	
C[C@H]1C=C[C@H]([C@@H]2CC(=O)OC2=O)C12CC2	68571800	ZNKNMJIBQGFVDL-XHNCKOQMSA-N	206.241	1.678	50	40	BDGB	
Cc1cc(C)n(CC(=O)CBr)n1	40227634	FYUXEQHXVJAXOL-UHFFFAOYSA-N	231.093	1.464	50	40	BDGB	
C=CCS/C(S)=C(/C#N)C(N)=O	100013652	LOSITGQBCUFRQL-ALCCZGGFSA-N	200.288	1.056	50	40	BDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CC1	565064	JBEUVAKIVBODGP-KPKJPENVSA-N	233.227	1.455	50	40	BDGB	
CN(C)C(=O)N(C)/N=C/c1ccc([N+](=O)[O-])o1	1693547	XUHGGWOYHOSEFF-UXBLZVDNSA-N	240.219	1.135	50	40	BDGB	
C=CCNC(=O)/C(C#N)=C\c1ccc(C#N)cc1	6054133	NDTDPUZNQJTIKE-JYRVWZFOSA-N	237.262	1.767	50	40	BDGB	
CCC[C@H]1C[C@H](C#N)N(N(C)C)C1=C(C#N)C#N	493119	OQKDHUQGASVMFK-CMPLNLGQSA-N	243.314	1.778	50	40	BDGB	
Cc1ccc(/C=C/C(=O)NNC(=O)C2CC2)cc1	567082	SRIJUQTWLWHDHK-RMKNXTFCSA-N	244.294	1.566	50	40	BDGB	
NC(=O)N/N=C/c1ccc(Cl)s1	111774	DSEPUMWEHVVIII-YCRREMRBSA-N	203.654	1.404	50	40	BDGB	
Cc1ccccc1-n1ncc(C(=O)NN)c1C	2532539	OLDPSCSHPWLVBV-UHFFFAOYSA-N	230.271	1.093	50	40	BDGB	
C/C(=N\NC(=O)c1cnccn1)c1ccncc1	4951454	FDOVHAATHTXBQP-CXUHLZMHSA-N	241.254	1.026	50	40	BDGB	
Cc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o1	100622060	MCTIJTMTMOLJCV-RUDMXATFSA-N	224.223	1.755	50	40	BDGB	
O=C(OC(=O)[C@@H](F)Cl)[C@@H](F)Cl	199502561	MAOTXBPNBZBSDM-JCYAYHJZSA-N	206.959	1.125	50	40	BDGB	
O=C(N/N=C/c1ccc(F)cc1)C1CC1	511031	GIPGXVIXPBNKON-NTUHNPAUSA-N	206.220	1.686	50	40	BDGB	
NC(=O)N/N=C1/CCCC[C@H]1c1ccccn1	100913456	BHSRKLPMJGOGMM-PPHKCDOESA-N	232.287	1.764	50	40	BDGB	
O=C(CNc1ccccc1)N/N=C/c1ccco1	251841	QWULNYGKIRRUJD-OQLLNIDSSA-N	243.266	1.842	50	40	BDGB	
CCO/C=C(/C#N)S(=O)(=O)C(C)(C)C	3132563	UEZQDEIGENVNHG-FPLPWBNLSA-N	217.290	1.601	50	40	BDGB	
N#C/C(N)=C(C#N)/N=C/c1ccc(F)cc1	24672301	MYBUSTUZLCUXDQ-OITKXYCYSA-N	214.203	1.462	50	40	BDGB	
CN(C)/C=C(/C#N)C(=O)C(F)(F)C(F)(F)F	115465141	BCSLFGSDBHBISQ-PLNGDYQASA-N	242.147	1.722	50	40	BDGB	
CC(C)NC(=O)/C(C#N)=C/c1ccco1	5845411	WSYLDNZQNXLKEB-RMKNXTFCSA-N	204.229	1.711	50	40	BDGB	
C/C(=N/NC(=O)c1cccnc1)c1ccco1	13685956	OJQKAGYTOAOMQT-ZROIWOOFSA-N	229.239	1.829	50	40	BDGB	
O=N[C@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@@H]1COC[C@@H]12	100498166	IYAJFQMOIACNQB-CMLZIERQSA-N	201.653	1.641	50	40	BDGB	
CS(=O)(=O)C1[C@@H]2CCC[C@@H]1C2Cl	100703190	CEUPCBDHUWSNRW-INFAEJQFSA-N	208.710	1.437	50	40	BDGB	
CS(=O)(=O)c1cccc(NC(=O)CCl)c1	8428180	DESZRBKDEHWJOV-UHFFFAOYSA-N	247.703	1.267	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(C)c1C	33651512	OQPOKHMRUUICDW-WDZFZDKYSA-N	217.272	1.295	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2CC[C@H]3CC[C@@H]1[C@H]32	43761573	ZIHBTTIOZKHGHZ-OHFPSRBASA-N	207.277	1.467	50	40	BDGB	
C[C@@H]1CN1P(=O)(N1C[C@H]1C)N1C[C@H]1C	197595538	AVUYXHYHTTVPRX-KOHOWYOSSA-N	215.237	1.207	50	40	BDGB	in-vitro
O[C@@H](CBr)[C@H]1CCCOC1	242688584	VTWVFVJCRIADFI-BQBZGAKWSA-N	209.083	1.169	50	40	BDGB	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(N)=O	303055	XMPSZTZMDNFAKA-CSKARUKUSA-N	245.282	1.662	50	40	BDGB	
CCO/N=C(/C)[C@H](C)SS(=O)(=O)O	6385476	AGSGVLMGOOFQBK-ZHURGCMGSA-N	227.307	1.323	50	40	BDGB	
CC(=O)Nc1cccc(NC=C(C#N)C#N)c1	3367992	LSIYJKIYHCRQIE-UHFFFAOYSA-N	226.239	1.988	50	40	BDGB	
CC(C)(CCl)C(=O)NCCCCl	2153378	PVEPLMHMDLDGJS-UHFFFAOYSA-N	212.120	1.997	50	40	BDGB	
O=C(N/N=C\c1ccco1)N/N=C\c1ccco1	8616883	CKCJEXVEYBYRIP-AJDRMPRJSA-N	246.226	1.540	50	40	BDGB	
C[C@@H]1CN1P(=O)(OCCCl)N1C[C@H]1C	16990684	TZZGPKWCRPWZFL-KYFIDKDASA-N	238.655	1.758	50	40	BDGB	
COC(=O)c1cc2c(cc1/C=C/C=O)OCO2	1589404	ORZAMBCSJFIEFK-NSCUHMNNSA-N	234.207	1.414	50	40	BDGB	
C/C(=N\NC(=O)c1ccncc1)C1CC1	4673437	MZJKLITVJAVTBG-MDWZMJQESA-N	203.245	1.597	50	40	BDGB	
CCC(=O)N/N=C/c1ccc(C(=O)O)cc1	7778055	ASSHKZKELVKMSZ-KPKJPENVSA-N	220.228	1.245	50	40	BDGB	
C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	53076	UCFAZPAUOIGREJ-ZCFIWIBFSA-N	204.229	1.354	50	40	BDGB	
CC1(C(=O)CBr)CCOCC1	952958888	YFSBVNMMZKMOND-UHFFFAOYSA-N	221.094	1.767	50	40	BDGB	
COP(=O)(CC(=O)O[Si](C)(C)C)OC	169806481	AOBJUHXMTGKIDR-UHFFFAOYSA-N	240.268	1.850	50	40	BDGB	
Cc1cc(C)c(/C=N\NC(=O)NN)c(C)c1	17376969	WKTFQTRUGAXDIK-MLPAPPSSSA-N	220.276	1.119	50	40	BDGB	
O=C(CCl)N1CCO[C@@H](c2ccccc2)C1	37832766	OGVOXTIUNFDZKC-LLVKDONJSA-N	239.702	1.825	50	40	BDGB	
CC(=O)[C@H]1C(=O)CC(C)(C)[C@H](Cl)C1=O	100001594	BHVFIYRNSPTPPG-IONNQARKSA-N	216.664	1.367	50	40	BDGB	
CC1=C(C)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@H]34)[C@@H]12	104281652	BDIHXCWQHPNJAL-WGWHJZDNSA-N	230.263	1.700	50	40	BDGB	
Cc1cc(C)c2c(=O)[nH]n(C(=O)CCl)c2n1	4206244	CXZCOJJJQGZASR-UHFFFAOYSA-N	239.662	1.220	50	40	BDGB	
CCN(C[C@H]1CCCCN1C)C(=O)CCl	79406563	WIMFDFPEDXYGME-SNVBAGLBSA-N	232.755	1.558	50	40	BDGB	
N#CC(C#N)=Cc1ccc(O)c([N+](=O)[O-])c1	14944535	BQOURLGXLYRASY-UHFFFAOYSA-N	215.168	1.731	50	40	BDGB	
NP(N)(=O)Nc1ccccc1[N+](=O)[O-]	77311829	GDPVISFVPDYFPN-UHFFFAOYSA-N	216.137	1.032	50	40	BDGB	in-vitro
CCCCCCCC(=O)NNC(=O)CCl	100960691	SCVUKTVLWUVYCG-UHFFFAOYSA-N	234.727	1.733	50	40	BDGB	
COC(=O)N/N=C(\C)c1ccccc1F	5889338	RYRQVTTYTNDTHK-KPKJPENVSA-N	210.208	1.906	50	40	BDGB	
COc1cccc(/C=C(\C#N)C(N)=S)c1OC	35681223	GRILRSBUKJNIHC-RMKNXTFCSA-N	248.307	1.897	50	40	BDGB	
CC(C)N(C(=O)CCl)[C@H]1CCCN(C)C1	79406634	COOURIVEHYRLLE-JTQLQIEISA-N	232.755	1.556	50	40	BDGB	
CN(CCOc1ccccc1F)C(=O)CCl	37654115	QIAXOTYGNHIHIG-UHFFFAOYSA-N	245.681	1.902	50	40	BDGB	in-vitro
CCOC(=O)C(CCCl)C(=O)OCC	1699811	ZBNRVCJGKAZEQW-UHFFFAOYSA-N	222.668	1.358	50	40	BDGB	
CCCCC(=O)NNC(=O)c1ccccc1C	1955077	VODYVIGGKVUCPT-UHFFFAOYSA-N	234.299	1.946	50	40	BDGB	
CO/C(N)=C(C#N)\N=C\c1ccccc1	104313804	IWTPAHMQALWGHK-FAPZBPDISA-N	201.229	1.403	50	40	BDGB	
Nc1ncccc1/C=C1/C(=O)ON=C1CCl	34926754	GKIHUGQQEYFNOJ-QPJJXVBHSA-N	237.646	1.199	50	40	BDGB	
O=C(NN=C1CCCC1)c1ccccn1	5705238	VJTOLDMFLSZHKP-UHFFFAOYSA-N	203.245	1.741	50	40	BDGB	
COc1ccc(/C=C\C(C)=N\NC(N)=O)cc1	5519344	KDKOYKPYFCGPBB-PJPNQUCHSA-N	233.271	1.753	50	40	BDGB	
CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1	84658	GZORTPUDCQBPOH-CMDGGOBGSA-N	212.256	1.989	50	40	BDGB	
NC(=O)N/N=C/c1ccccc1Br	3093542	YAMGYPUYYIRGSK-VZUCSPMQSA-N	242.076	1.451	50	40	BDGB	
BrC[C@H]1CN=C(N2CCCC2)S1	3099591	IEGIUJRRGFFJNZ-ZETCQYMHSA-N	249.177	1.949	50	40	BDGB	
CC(C)CCOCCNC(=O)CCl	36379796	YRVLRCSNGCAXSF-UHFFFAOYSA-N	207.701	1.404	50	40	BDGB	in-vitro
CCCCc1nn2c(=O)cc(CCl)nc2[nH]1	102467458	YGNCRNDHWRDRIB-UHFFFAOYSA-N	240.694	1.499	50	40	BDGB	
CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)OC	4523864	KIJFHZRXZBDISU-CLUBXZQOSA-N	230.264	1.308	50	40	BDGB	
Cc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)o1	16733908	WNFGSAOVKVEEKG-FLIBITNWSA-N	246.266	1.354	50	40	BDGB	
CN(C)[C@H]1CCCC[C@H]1NC(=O)CCl	79406445	UEFZHZMOIJOVJO-BDAKNGLRSA-N	218.728	1.214	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1sccc1C	40889128	ZJTLQPBCKVLRSA-YVMONPNESA-N	206.270	1.710	50	40	BDGB	
Nc1cc2c3c(cccc3c1)C(=O)OC2=O	95585010	JUFBFZSMKMBCBO-UHFFFAOYSA-N	213.192	1.733	50	40	BDGB	
CC[C@H](Br)C(=O)OCCCl	1586462	LPBGILZUSWZKLI-YFKPBYRVSA-N	229.501	1.942	50	40	BDGB	
O=C(CCl)NCCc1ccc(O)cc1	3652568	XLODVMFKUMEIJY-UHFFFAOYSA-N	213.664	1.290	50	40	BDGB	
O=C(CCl)NCc1ccc(F)cc1F	43830425	GPMUBKWHBVRMIP-UHFFFAOYSA-N	219.618	1.820	50	40	BDGB	
CC(C)C(=O)N(C)N(C)C(=O)Cc1ccccc1	20064362	RRSIHFSEFSOVFK-UHFFFAOYSA-N	248.326	1.717	50	40	BDGB	
N#CC(C#N)=Cc1ccc(N2CCOCC2)o1	4128374	GHVBOUKOURRNIB-UHFFFAOYSA-N	229.239	1.547	50	40	BDGB	
CN1CCC(CI)CC1	79436950	XQIPXRDZQGDWES-UHFFFAOYSA-N	239.100	1.763	50	40	BDGB	
COc1ccccc1/C=N/NC(=O)CC#N	175600	WBBRGTDADMJTSI-MDWZMJQESA-N	217.228	1.059	50	40	BDGB	
C=CCC(=S)NNC(=O)c1ccncc1	5426465	ATPMWMRQVBJZHL-UHFFFAOYSA-N	221.285	1.220	50	40	BDGB	
O=C(NNC(=O)c1ccco1)c1ccc(O)cc1	3071141	VPUGHUOZLBKCBF-UHFFFAOYSA-N	246.222	1.060	50	40	BDGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccccc1	59515444	SAWPZEZLHZNSJY-GXDHUFHOSA-N	247.298	1.005	50	40	BDGB	
CC1(C)[C@@]2(C(=O)Cl)CC[C@@]1(C)C(=O)C2=O	100260031	GCTJEIHNDXCZIY-QWRGUYRKSA-N	228.675	1.716	50	40	BDGB	
N#CC(C#N)=Cc1nc2ccccc2[nH]c1=O	5387655	FYSWIJVLGUJZQV-UHFFFAOYSA-N	222.207	1.354	50	40	BDGB	
CCCN1CCC(=NNC(=O)c2ccco2)CC1	5468453	IRIGOAHPVYFXTP-UHFFFAOYSA-N	249.314	1.871	50	40	BDGB	
C/C(=N/NC(=O)C(C)C)c1cc(O)ccc1O	4671766	UGCXYOBXPYTBHI-JYRVWZFOSA-N	236.271	1.594	50	40	BDGB	
NN[C@H]1c2ccccc2CC[C@H]1Br	199539349	RDNNJBOPJQATNR-ZJUUUORDSA-N	241.132	1.901	50	40	BDGB	
C/C(=N/NC(N)=O)[C@@H](C)Cc1ccccc1	4701341	DURKWDCMJGVGDW-DCMHDJSWSA-N	219.288	1.909	50	40	BDGB	
CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])o1	4697708	LCGVXJAZVXGZRJ-WEVVVXLNSA-N	211.177	1.048	50	40	BDGB	
Cc1ccc(NC2=CCC(=O)OC2=O)cc1	100251882	RBIDNXALBIHYDX-UHFFFAOYSA-N	217.224	1.764	50	40	BDGB	
N#C/C(=C\Nc1ncccc1Cl)C(N)=S	100423227	ITNZHYFXVMPAKO-AATRIKPKSA-N	238.703	1.840	50	40	BDGB	
COCCN(C(C)=O)c1nc(CCl)cs1	68591477	BCLOUSXYEDBALR-UHFFFAOYSA-N	248.735	1.881	50	40	BDGB	
CC(C)(C)SSC[C@@H](N)C(=O)O	1646880	TWMBHZTWEDJDRC-RXMQYKEDSA-N	209.336	1.578	50	40	BDGB	biogenic
N#C/C(=C\c1ccc(C#N)cc1)C(N)=S	33574171	UBRXJZYRGLBYEC-BJMVGYQFSA-N	213.265	1.751	50	40	BDGB	
Cn1c(CC2CCCCC2)ccc1C(=O)NN	226023569	IXCIEFPFIUABPZ-UHFFFAOYSA-N	235.331	1.751	50	40	BDGB	
CC1(C)CCC(=O)[C@H](Br)C1=O	115405985	VECZBRLUEAFWGF-LURJTMIESA-N	219.078	1.708	50	40	BDGB	
C=C(C#N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	7630	KSSHQPCVMZULSQ-SNVBAGLBSA-N	204.185	1.708	50	40	BDGB	in-vitro
NNC(=O)c1ccccc1NC(=O)c1ccco1	127508	CQJMFVHPHGDQGO-UHFFFAOYSA-N	245.238	1.135	50	40	BDGB	
CN(C)NC(=O)Oc1ccc(Cl)cc1	1655938	OVMJSWSCLIFJST-UHFFFAOYSA-N	214.652	1.905	50	40	BDGB	
C[C@H](Cl)C(=O)N1CCc2ncccc2C1	37484099	MJHFBFFKKHRFCS-QMMMGPOBSA-N	224.691	1.594	50	40	BDGB	
CS(=O)(=O)c1ccccc1C(=O)Cl	39249249	JJVRWECYWMHJCY-UHFFFAOYSA-N	218.661	1.469	50	40	BDGB	in-vitro
CC(C)CC/C(=N/NC(N)=O)C1CCOCC1	5715568	DGNLSQZAQZZJCJ-KAMYIIQDSA-N	241.335	1.874	50	40	BDGB	
COc1ccc(OCC(=O)OCCCl)cc1	1677847	OOJJLQFJNDVCBU-UHFFFAOYSA-N	244.674	1.856	50	40	BDGB	
CN(N)C(=O)Nc1ccc(Br)cc1	1870734	YGGOPBJOPIETDI-UHFFFAOYSA-N	244.092	1.787	50	40	BDGB	
CCOC(=O)[C@H](Br)C(=O)C(F)F	110768378	FDWKQXQWEPQWIZ-GSVOUGTGSA-N	245.019	1.147	50	40	BDGB	
C/C(=C\C(=O)NNC(=O)c1ccccn1)C1CC1	48666600	ZVSFOPCPBZHEGN-CMDGGOBGSA-N	245.282	1.199	50	40	BDGB	
COc1cc(C=C(C#N)C#N)cc2c1OCCO2	7155094	KOJDJKJLDZQDRM-UHFFFAOYSA-N	242.234	1.897	50	40	BDGB	
CCc1ccc(/C=C/C(=O)NNC(N)=S)cc1	62715410	NLIQIVOSEHLETJ-BQYQJAHWSA-N	249.339	1.127	50	40	BDGB	
O=C1[C@@H](Br)CCN1C1CC1	34481079	FLMMYHHUFMMQRD-LURJTMIESA-N	204.067	1.145	50	40	BDGB	
C/C(=N\NC(=O)C1CC1)c1ccc(O)cc1O	5638565	HRIPLNJJMNJAAA-NTUHNPAUSA-N	234.255	1.348	50	40	BDGB	
CCOc1ccc(/C=N/NC(=O)OC)cc1	491969	BBXKUCMBJDGRAA-XYOKQWHBSA-N	222.244	1.775	50	40	BDGB	
O=P(NC1CCCC1)(N1CC1)N1CC1	104382699	NQKLSALOTXPDHH-UHFFFAOYSA-N	215.237	1.258	50	40	BDGB	
NC(=O)N/N=C1/CCN2CCCc3cccc1c32	31719714	UVGFNXHHNWNTKR-PTNGSMBKSA-N	244.298	1.215	50	40	BDGB	
O=C(CCCC[C@H]1CCSS1)NCCO	79190755	UKKQRPFDGXMFAQ-VIFPVBQESA-N	249.401	1.809	50	40	BDGB	biogenic
BrCc1n[nH]c2ncccc12	39149611	AEWIVRMYTGWLOX-UHFFFAOYSA-N	212.050	1.853	50	40	BDGB	
CCCCn1c(CC)ccc1C(=O)NN	226022206	XFKXOYSYYYSVIM-UHFFFAOYSA-N	209.293	1.454	50	40	BDGB	
CC1(C)CC(=O)[C@@H]2C(CCl)=NN[C@@H]2C1	228920722	CHHSBGKQJRSGDO-MUWHJKNJSA-N	214.696	1.558	50	40	BDGB	
CC/C(=N\NC(N)=O)c1ccc(C)cc1O	55134850	UCBUIBCSFMAAJD-UKTHLTGXSA-N	221.260	1.483	50	40	BDGB	
COC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	1003623	WYBICGSVBZRQKS-XBXARRHUSA-N	229.217	1.346	50	40	BDGB	
O=S(=O)(CCCl)c1ccc(O)cc1	26894029	JJQZTSDDOIUMPZ-UHFFFAOYSA-N	220.677	1.405	50	40	BDGB	
COC(=O)COc1cccc(C(=O)Cl)c1	34413613	ZLSBUDMXCXRKTB-UHFFFAOYSA-N	228.631	1.617	50	40	BDGB	
N/C(CCl)=N\OC(=O)c1cccnc1Cl	4289121	SEGKGQSKUWWWRC-UHFFFAOYSA-N	248.069	1.403	50	40	BDGB	
CC(C)OC(=O)C(Cl)C(=O)OC(C)C	2560072	KQGSTSBVCSPBCN-UHFFFAOYSA-N	222.668	1.497	50	40	BDGB	
Cc1nn(C)c(C)c1NC(=O)CCCl	4293957	ZOUKSTRHIJHTFA-UHFFFAOYSA-N	215.684	1.604	50	40	BDGB	
Cc1cc(C(=O)NN)c2c(C)nn(C(C)C)c2n1	4294065	SSAJICBAUSLQKL-UHFFFAOYSA-N	247.302	1.233	50	40	BDGB	
C[C@@H]1CCc2sc(C(=O)NN)cc2C1	4204920	OXNMMXRMVHHCBQ-ZCFIWIBFSA-N	210.302	1.476	50	40	BDGB	in-vitro
CCN(C[C@@H]1CCN(C)C1)C(=O)CCl	79406533	QQMLHSOTMBKVJE-SECBINFHSA-N	218.728	1.025	50	40	BDGB	
CC(C)(C)c1ccc(C(C)(C)C)c(B(O)O)c1	199955510	VNKLXYSLUFNZQU-UHFFFAOYSA-N	234.148	1.961	50	40	BDGB	
COc1ccc(/C=C\C(C)=N/NC(N)=O)cc1	17140398	KDKOYKPYFCGPBB-HNOCESSGSA-N	233.271	1.753	50	40	BDGB	
ClCCNCCCCNCCCl	1691423	VBQRLJDYHFCMBG-UHFFFAOYSA-N	213.152	1.423	50	40	BDGB	
O=C(NN=C1CCCC1)C(=O)Nc1ccccc1	59515716	TYOZNJGZRFAYST-UHFFFAOYSA-N	245.282	1.671	50	40	BDGB	
O=C1CCCC[C@H]1CNCCBr	2451948	VGZLPEOTUFDULI-QMMMGPOBSA-N	234.137	1.730	50	40	BDGB	
NNC(=O)NCC12CC3CC(CC(C3)C1)C2	3306476	IINNCCNNLCKKGZ-UHFFFAOYSA-N	223.320	1.376	50	40	BDGB	
COCCCI	34079503	DFNCRJSFSDJOBT-UHFFFAOYSA-N	200.019	1.458	50	40	BDGB	in-vitro
COC(=O)NN(Cc1ccccc1)C(=O)OC	38337717	KFXCCYDDGLBXHR-UHFFFAOYSA-N	238.243	1.526	50	40	BDGB	
COC(=O)N1CC[C@H]2CC=C(C#N)O[C@H]21	4267684	YNIIXJPWGOROPD-VXNVDRBHSA-N	208.217	1.229	50	40	BDGB	biogenic
Cc1cc(SC#N)cc(C(=O)O)c1O	40545878	HQCOZYZMZUJDKU-UHFFFAOYSA-N	209.226	1.972	50	40	BDGB	
NC(=O)N/N=C1\C[C@H]2CC[C@H]3CC[C@H]1[C@H]32	43761571	ZIHBTTIOZKHGHZ-NCJYMEMXSA-N	207.277	1.467	50	40	BDGB	
CC(C)(C)OC(=O)NCC(=O)CCl	39093469	UCZJERMRQOJXHU-UHFFFAOYSA-N	207.657	1.319	50	40	BDGB	
C#CCN/C=C(\C#N)S(=O)(=O)c1ccccc1	33671808	PUTVJEBLPNJFSL-ZRDIBKRKSA-N	246.291	1.048	50	40	BDGB	
N#CC1=C[C@@H](c2ccccc2)[C@H]2OC(=O)N[C@@H]2O1	4267594	PEJFPXVYSOHJBX-QJPTWQEYSA-N	242.234	1.642	50	40	BDGB	
O=C(O)[C@H]1C[C@H](Cl)[C@H](Cl)C[C@@H]1C(=O)O	4792244	BNJOWVKINLETCR-OMMKOOBNSA-N	241.070	1.397	50	40	BDGB	
CC(C)(C)C(=O)NNC(=O)c1ccc(F)cc1	11639102	CRHUKAGMQZAHBY-UHFFFAOYSA-N	238.262	1.633	50	40	BDGB	
CN(C)c1ccc(CNC=C(C#N)C#N)cc1	13143378	UOPQMRKETSNHMK-UHFFFAOYSA-N	226.283	1.773	50	40	BDGB	
C[C@@H](Cl)C(=O)NCc1cccs1	7991075	FTWRCCDSFPYNQB-ZCFIWIBFSA-N	203.694	1.992	50	40	BDGB	in-vitro
O=C(CBr)N1CC2(CCC2)C1	217791825	PEQVZQAFQYSZBC-UHFFFAOYSA-N	218.094	1.394	50	40	BDGB	
CS/C(=C(\C#N)C(N)=O)N1CCC(C)CC1	1888916663	MAZBSYBANZCTMU-PKNBQFBNSA-N	239.344	1.302	50	40	BDGB	
CO[Si](OC)(OC)[C@@H]1CC[C@H]2O[C@H]2C1	256016337	ZQDWUJIBGXKPDZ-HLTSFMKQSA-N	218.325	1.186	50	40	BDGB	
COc1cccc(/C=C(/C#N)C(N)=O)c1	12408810	CQLYVMVFUXERSA-UITAMQMPSA-N	202.213	1.087	50	40	BDGB	
O=C(CCl)NNC(=O)CCc1ccccc1	41162381	LPJUAUOATRAECL-UHFFFAOYSA-N	240.690	1.005	50	40	BDGB	in-vitro
N#Cc1cccc(NC(=O)NCCCl)c1	36373349	FSRACBNBALMZQG-UHFFFAOYSA-N	223.663	1.919	50	40	BDGB	in-vitro
O=C1CC[C@H](NCCc2ccccc2)C(=O)O1	104194960	QHKCHZISMKLFJM-NSHDSACASA-N	233.267	1.051	50	40	BDGB	
NNC(=O)c1ccc(COc2ccccc2)cc1	3215138	PVXRWARELOUENL-UHFFFAOYSA-N	242.278	1.869	50	40	BDGB	
CC(C)C(=O)N/N=C/c1ccccc1O	4407106	NSGNCFAGFIEXGG-KPKJPENVSA-N	206.245	1.498	50	40	BDGB	
COc1cc2c(cc1C=C(C#N)C#N)OCO2	4559680	YUVGQCOLRDZQGM-UHFFFAOYSA-N	228.207	1.854	50	40	BDGB	
O=C(CCl)NC(=O)Nc1ccccc1	6550859	WYESSOGZWOBKGU-UHFFFAOYSA-N	212.636	1.574	50	40	BDGB	in-vitro
Cc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1	5641590	OYXKLISERVEUGU-RIYZIHGNSA-N	228.255	1.482	50	40	BDGB	
Cn1cccc1/C=N\NC(=O)Cc1cccs1	31841425	YVTWWSRTUKDMFP-LCYFTJDESA-N	247.323	1.779	50	40	BDGB	
O=C(N/N=C/c1ccc(O)cc1)[C@@H]1CCCO1	1740137	YJJLMBUKLXDVHG-ZWSXMNCCSA-N	234.255	1.021	50	40	BDGB	
CC[C@](C)(O)C#CCOCOCCCl	3163239	VRNLNQKCDSVAJL-JTQLQIEISA-N	220.696	1.380	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1	3190632	KTRGSRCVNPNFMP-UXBLZVDNSA-N	247.250	1.784	50	40	BDGB	
O=C(CCl)N1CCC(Br)CC1	100177044	YQFDAOZFEQIUSO-UHFFFAOYSA-N	240.528	1.611	50	40	BDGB	
CC(C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	4455563	HIGFYIBTPOEZDV-KPKJPENVSA-N	235.243	1.701	50	40	BDGB	
CCN(C[C@H]1CCCN1C(=O)CCl)C(C)=O	79417027	YDUWKSOTAQVEBG-SNVBAGLBSA-N	246.738	1.085	50	40	BDGB	
O=C=Nc1ccc(N2C(=O)CCC2=O)cc1	38392397	XRYWRFDDEBYCCN-UHFFFAOYSA-N	216.196	1.307	50	40	BDGB	
CCOC(=O)[C@@H](Br)C(=O)CCl	199565503	AEDSELRTPADNAU-YFKPBYRVSA-N	243.484	1.121	50	40	BDGB	
Cc1ccc(C(=O)CBr)cn1	84192910	UPWFYUIFTMKPFE-UHFFFAOYSA-N	214.062	1.968	50	40	BDGB	
O=C1N[C@H](Cc2ccc(F)c(Cl)c2)C(=O)O1	1772715030	RRHTWDBWUIIMQS-MRVPVSSYSA-N	243.621	1.657	50	40	BDGB	
C[C@@H](O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	58883526	CPMRGNKNJCEENE-KXUVPBGPSA-N	248.326	1.815	50	40	BDGB	
COC(=O)C(=O)[C@@H](Cl)c1ccccc1	36420838	LQGLOOLNAIZIIW-QMMMGPOBSA-N	212.632	1.709	50	40	BDGB	
N#CC(C#N)=Cc1ccc2c(c1)OCCO2	4342407	WIFOWLPMEWSCCS-UHFFFAOYSA-N	212.208	1.888	50	40	BDGB	in-vitro
O=C(N/N=C/c1ccccc1F)[C@H]1CCCO1	4685352	UKWKHLWEGASOQI-GYBQTFJISA-N	236.246	1.455	50	40	BDGB	
CC(=O)NNC(=O)Cc1cccc2ccccc12	5900038	ZIQANRNTUSTHBZ-UHFFFAOYSA-N	242.278	1.550	50	40	BDGB	
CCNC(=O)NNc1ccc(C(F)(F)F)cn1	408565896	CFNABAIFLCQSAR-UHFFFAOYSA-N	248.208	1.746	50	40	BDGB	
CC(C)CN1C[C@H](C(=O)Cl)CC1=O	33433012	JUARJBQXKWXSQY-SSDOTTSWSA-N	203.669	1.256	50	40	BDGB	
CNC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	33620945	JTXVSTKPVPYXTL-WDZFZDKYSA-N	230.267	1.662	50	40	BDGB	
NNC(=O)c1ncoc1-c1ccccc1F	226101136	NEDNLONTSBRVBZ-UHFFFAOYSA-N	221.191	1.084	50	40	BDGB	
O=C(NNC(=O)[C@@H]1CC=CCC1)C1CCCC1	40512028	RFASIOKYWTWQJO-SNVBAGLBSA-N	236.315	1.680	50	40	BDGB	
FC(F)(F)COCCOCCCl	82513552	LBXFZIQITQPIQC-UHFFFAOYSA-N	206.591	1.821	50	40	BDGB	
Cc1cccc2c1N(CCCl)C(=O)/C2=N/O	100110275	VHNRWELESGEBTI-UKTHLTGXSA-N	238.674	1.759	50	40	BDGB	
C[C@]1(C(=O)Cl)Oc2ccccc2NC1=O	215666133	HXXBJYSMBVZLSY-SNVBAGLBSA-N	225.631	1.542	50	40	BDGB	
CN1CC[C@@H](CN(C(=O)CCl)C2CC2)C1	79406714	JYSHTPVNABPUNX-SECBINFHSA-N	230.739	1.168	50	40	BDGB	
CCOC(=O)/C(C#N)=C(C)/C=C/N(C)C	91695886	VDGOQCNJUUVNIU-AVQMFFATSA-N	208.261	1.465	50	40	BDGB	
CC(C)C/C=N/NC(=O)c1cc(O)ccc1O	16971872	WRIZIXIIBGLJFK-AWNIVKPZSA-N	236.271	1.860	50	40	BDGB	
O=C(N/N=C/c1ccc[nH]1)c1cc(O)cc(O)c1	370349	SYARZFNVSXMHAM-VGOFMYFVSA-N	245.238	1.190	50	40	BDGB	
O=C(CCl)NC(=O)c1cccc([N+](=O)[O-])c1	3249592	HDUQBMIFHWFGJS-UHFFFAOYSA-N	242.618	1.090	50	40	BDGB	
FC(F)(F)OCCI	84178724	BSZSPBABRXNBIE-UHFFFAOYSA-N	239.962	1.958	50	40	BDGB	
CCOC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1	96071	STWDHFNLNIGHOF-FNORWQNLSA-N	236.183	1.658	50	40	BDGB	
COc1c(C)cc(Cl)c(C)c1C(=O)NN	57339762	WEMYOEJUZXMFEV-UHFFFAOYSA-N	228.679	1.569	50	40	BDGB	
CCOC(=O)/C(C#N)=C1/CCCCCN1C	31829107	XKJCLSCLYLWEIS-KHPPLWFESA-N	222.288	1.833	50	40	BDGB	
CSc1ccc(B(O)O)cc1C(F)(F)F	169994813	ZGVHSZHWKMOCEZ-UHFFFAOYSA-N	236.023	1.107	50	40	BDGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)O	1718310	PJGINNBZKZIMNJ-YWEYNIOJSA-N	218.168	1.586	50	40	BDGB	
Cc1ccc(-n2cccc2C(=O)NN)c(C)c1	223723671	ISOXHCUPSDFGJP-UHFFFAOYSA-N	229.283	1.698	50	40	BDGB	
COC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	34881509	ODSZZQGHAUWOKY-POHAHGRESA-N	245.234	1.538	50	40	BDGB	
CC12[C@H]3C4[C@H]1[C@H]1C([C@H]5C(=O)OC(=O)[C@H]45)[C@H]3C12C	104281660	VSXGOCWVVVTOMM-HCFURALBSA-N	230.263	1.080	50	40	BDGB	
Cn1cc(CCCBr)cn1	36378508	IFOGCDKQKBWMGC-UHFFFAOYSA-N	203.083	1.748	50	40	BDGB	in-vitro
NNC(=O)c1cccc(COc2ccccc2)c1	110558185	RTRAWHQUQUCQHE-UHFFFAOYSA-N	242.278	1.869	50	40	BDGB	
CO[Si](C)(C)CCCOC[C@H]1CO1	195755641	FBNXYLDLGARYKQ-VIFPVBQESA-N	204.342	1.643	50	40	BDGB	
CCCCC#CCOC[C@H](O)CCl	5782143	CPZOLJNZOUPWGJ-SNVBAGLBSA-N	204.697	1.796	50	40	BDGB	
Cc1cc(Br)c(Cl)cc1B(O)O	169995335	QUSLUGGNEDZERY-UHFFFAOYSA-N	249.300	1.091	50	40	BDGB	
NC(=O)N/N=C1/C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21	102886620	VFNYTWHRVSBLAG-MBDXLZIFSA-N	205.261	1.243	50	40	BDGB	
O=C(Cl)c1ccncc1C(=O)Cl	100054525	HUIAQNXMBCJOCK-UHFFFAOYSA-N	204.012	1.840	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1ccccc1O	20248131	VLEMTIXYSCCNJU-MDWZMJQESA-N	217.228	1.146	50	40	BDGB	
Cc1nc2ncnn2c(Cl)c1CCCl	5881559	PKMDDDPAUYOZEB-UHFFFAOYSA-N	231.086	1.867	50	40	BDGB	
O=C(CCl)N1CCc2ccc([N+](=O)[O-])cc21	68581026	HZENLBQVZSRAMH-UHFFFAOYSA-N	240.646	1.723	50	40	BDGB	
C/C(=N\NC(=O)C(C)C)c1ccc(N)cc1	18194424	KWNJHYDYAPQFBZ-NTEUORMPSA-N	219.288	1.765	50	40	BDGB	
O=S(=O)(c1ccc(CCl)o1)N1CCCC1	32627826	ITIWKPRYBBDOPP-UHFFFAOYSA-N	249.719	1.803	50	40	BDGB	in-vitro
CC(C)C(=O)NNC(=O)c1ccc2c(c1)CCO2	32674023	QUFAMTQZVDVSHC-UHFFFAOYSA-N	248.282	1.039	50	40	BDGB	
O=C(CCCC[C@@H]1CCSS1)NCCO	79190753	UKKQRPFDGXMFAQ-SECBINFHSA-N	249.401	1.809	50	40	BDGB	biogenic
CCNC(=S)NNC(=O)c1cccc(C)c1	5027118	UYCOVDUNQQSSQH-UHFFFAOYSA-N	237.328	1.124	50	40	BDGB	
C/C=C(/C)C(=O)N/N=C\c1cccc(OC)c1O	17128861	QAKBMXFHYAQRRC-SAFJBEETSA-N	248.282	1.817	50	40	BDGB	
O=c1cc(CCl)c2cc(O)c(O)cc2o1	491033	MXYJYDJSJKEKSN-UHFFFAOYSA-N	226.615	1.943	50	40	BDGB	biogenic,in-vitro
O=C(CCl)Nc1ccc2c(c1)NC(=O)CO2	12119299	JIGISEVSUCGRQC-UHFFFAOYSA-N	240.646	1.195	50	40	BDGB	
CC(C)(C)[C@@H](Cn1cccn1)NC(=O)CCl	2781183	JUFAVKMWNQTQJP-SECBINFHSA-N	243.738	1.653	50	40	BDGB	
OB(O)C(c1ccccc1)c1ccccc1	197957151	IASBJRDAGUROKC-UHFFFAOYSA-N	212.057	1.831	50	40	BDGB	
O=C1CCCN1C[C@H](Cl)CN1CCCCC1	506268	GQDVMGHRZNTXLX-LLVKDONJSA-N	244.766	1.702	50	40	BDGB	
O=C(O)[C@@H]1CC[C@@H](C(=O)O)SS1	1684999	NQRRVGBUZRSXRF-IMJSIDKUSA-N	208.260	1.068	50	40	BDGB	
CS(=O)(=O)[C@@H]1CCCC[C@@H]1SC#N	1768081	BPTWEHOUUDRHON-JGVFFNPUSA-N	219.331	1.556	50	40	BDGB	
N#Cc1nccnc1N1CCSSCC1	95437062	FMNVCMAUGKPMAQ-UHFFFAOYSA-N	238.341	1.550	50	40	BDGB	
CCOC(=O)/C=C1\CCCN1C(=O)[C@@H](C)Cl	96528451	DIHHXTPWLCBJBO-KGOFQHAKSA-N	245.706	1.683	50	40	BDGB	
COC(=O)c1cccc(NC(=O)CCl)c1O	57218552	CRHWVLRCALYRQO-UHFFFAOYSA-N	243.646	1.356	50	40	BDGB	
C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CCl)[C@@H]1C	3887964	HMBFDDSLYMRBIX-IWSPIJDZSA-N	246.738	1.876	50	40	BDGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1O	14796364	CHRUJLVTJPLDFE-CMDGGOBGSA-N	232.239	1.775	50	40	BDGB	
COc1ccccc1C(=O)N/N=C/c1ccc[nH]1	5880586	LDKXQFNTCYIPTR-OQLLNIDSSA-N	243.266	1.787	50	40	BDGB	
C[C@H]1CN1[P@](=O)(OCCCl)N1C[C@H]1C	301054482	TZZGPKWCRPWZFL-MFIVJQOWSA-N	238.655	1.758	50	40	BDGB	
O[C@H](CCl)c1ccc2c(c1)OCO2	34380984	YWPJZZBYTIRESV-SSDOTTSWSA-N	200.621	1.688	50	40	BDGB	
O=C1Nc2ccccc2[C@]12OC[C@@H](CCl)O2	319761	CQNUSAFUUVZRFL-RDDDGLTNSA-N	239.658	1.446	50	40	BDGB	
O=C(N/N=C/c1cccc(O)c1)C1CC1	2780107	WPBOTQXJVSDHOL-KPKJPENVSA-N	204.229	1.252	50	40	BDGB	
O=C(NNc1ncccn1)[C@H]1C[C@@H]1c1ccco1	49376543	ROAWBSUKCWZRIF-IUCAKERBSA-N	244.254	1.316	50	40	BDGB	
Cc1cccn1Cc1ccc(C(=O)NN)o1	226032267	GLCSQSREKLICRM-UHFFFAOYSA-N	219.244	1.041	50	40	BDGB	
COc1cccc(/C=N\C(C#N)=C(\N)C#N)c1O	91302306	HYPOJQUWLSUZGN-FRDMBNLXSA-N	242.238	1.037	50	40	BDGB	
CCOC(=O)N/N=C\c1cccc(OC)c1O	16972170	JFJXTAHWPNCJKG-GHXNOFRVSA-N	238.243	1.481	50	40	BDGB	
CC[C@H]1S[C@@H](C)C/C(=N/NC(N)=O)[C@H]1C	4815003	CXEKRAUJXURPPU-DKNQZBDXSA-N	229.349	1.951	50	40	BDGB	
Cc1ccc(C(=O)OCCCl)cc1N	26893590	LBGGAUWOOUUZMV-UHFFFAOYSA-N	213.664	1.973	50	40	BDGB	
CCOC(=O)NNC(=O)c1ccc(C)s1	23241730	ZARUBQSGFSOIKR-UHFFFAOYSA-N	228.273	1.447	50	40	BDGB	
O=C(O)c1cc(CBr)ccc1O	1596845	SGFUPZVGBKOKFJ-UHFFFAOYSA-N	231.045	1.985	50	40	BDGB	
C/C(=N\NC(=O)CC#N)c1cccc([N+](=O)[O-])c1	20248336	XBCHHZFBKCUNKM-MDWZMJQESA-N	246.226	1.349	50	40	BDGB	
COC(=O)c1coc(CBr)n1	26896249	NXXLIQGNOSXXHB-UHFFFAOYSA-N	220.022	1.356	50	40	BDGB	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)Cl	38478343	HZZLMAFZSKHYPB-HZGVNTEJSA-N	212.632	1.980	50	40	BDGB	
C[C@H](c1cnccn1)N(C(=O)CCl)C1CC1	79435586	QAVUWZWFGXNQFB-MRVPVSSYSA-N	239.706	1.767	50	40	BDGB	
COc1cncc(CBr)c1	96102417	CIPYZEUCBAXHSO-UHFFFAOYSA-N	202.051	1.985	50	40	BDGB	
O=C(O)[C@@H](Br)[C@H](O)c1ccccc1	1614499	PNZTVDQYHQRHKB-JGVFFNPUSA-N	245.072	1.568	50	40	BDGB	
CCOC(=O)/C(C#N)=C\Nc1ccccn1	100205936	UUFLNGMDHRHDOH-HJWRWDBZSA-N	217.228	1.464	50	40	BDGB	
Cc1ccc(SCCC(=O)NN)cc1	3394150	BFSJHFNWCPVHBJ-UHFFFAOYSA-N	210.302	1.467	50	40	BDGB	
CC(=N/O)/C(C)=N\NC(=O)c1ccccc1	5725183	UIIJJIYQCSOSSY-RXAUVDRZSA-N	219.244	1.642	50	40	BDGB	
CCC(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl	1689457	WBBGWGCORSOFGS-UJURSFKZSA-N	248.537	1.632	50	40	BDGB	
O=S1(=O)[C@H]2CCCC[C@@H]1[C@@H](Cl)[C@@H]2Cl	104282343	XCLTYUCRBZFSLL-ULAWRXDQSA-N	243.155	1.941	50	40	BDGB	
C[C@]1(CI)CCO1	104823239	XLLYWHZRDSACKA-RXMQYKEDSA-N	212.030	1.600	50	40	BDGB	
O=C(Cl)[C@H]1CC(=O)N(Cc2cccnc2)C1	32026979	XAAQAPGVKPYJHI-VIFPVBQESA-N	238.674	1.196	50	40	BDGB	
C[n+]1cccc(C(=O)N/N=C\c2ccccc2)c1	31949332	JVVIBEVFRKFGHF-GDNBJRDFSA-O	240.286	1.275	50	40	BDGB	
CC(C)N(C)C1CCN(C(=O)CCl)CC1	79419150	GRGNGDCNUVXWNV-UHFFFAOYSA-N	232.755	1.556	50	40	BDGB	
O=C(Cl)c1c([N+](=O)[O-])cnn1CCF	238857023	XTEMOTCGDBYOMF-UHFFFAOYSA-N	221.575	1.140	50	40	BDGB	
CC(C)(C)OC(=O)NNC(=O)c1ccsc1	24968326	NLMDZPOUUBOAOV-UHFFFAOYSA-N	242.300	1.918	50	40	BDGB	
C[C@H](Cl)C(=O)NCC(=O)c1ccc(F)cc1	1536222107	ZHPBXPOQPZPIFR-ZETCQYMHSA-N	243.665	1.752	50	40	BDGB	
Cc1c(/C=C(/C#N)C(=O)O)cc(C#N)n1C	33413544	RHIYDJWFEBLROR-OQFOIZHKSA-N	215.212	1.197	50	40	BDGB	
N#CC1=C[C@H]2CC[C@H]1C(C#N)(C#N)C2(C#N)C#N	100436933	DZBBCDCSMLPFOW-GHMZBOCLSA-N	233.234	1.543	50	40	BDGB	
COC(=O)c1cc(CBr)ccn1	21985069	MAQCMFOLVVSLLK-UHFFFAOYSA-N	230.061	1.763	50	40	BDGB	
O=C1OC(=O)[C@H]2CCCC3CCC[C@H]1C32	73370060	WDIMUBDLUKCUID-ZNHWEVIXSA-N	208.257	1.902	50	40	BDGB	
CC(=O)N1CCC[C@H](CBr)C1	19783809	DXBAMFBOBICGSY-MRVPVSSYSA-N	220.110	1.640	50	40	BDGB	
COc1ccc(OC)c(C(=O)N=C=S)c1	2581839	CJRXQGBOCFAYEV-UHFFFAOYSA-N	223.253	1.947	50	40	BDGB	
O=C(O)c1ccc(NC[C@H](O)CCl)cc1	307812	KWNZZVPNMSOJGU-SECBINFHSA-N	229.663	1.396	50	40	BDGB	
CCCOc1ccc(/C=N/NC=O)c(O)c1	3225134	ALOXBODSEQPIHG-KPKJPENVSA-N	222.244	1.261	50	40	BDGB	
CCN1CCN(C[C@@H](C)CCl)CC1	70067341	TVPWCYXLUCOXRJ-JTQLQIEISA-N	204.745	1.499	50	40	BDGB	
CCCCn1c(CCC)ccc1C(=O)NN	226025968	UDHZBQJOMOKEBZ-UHFFFAOYSA-N	223.320	1.844	50	40	BDGB	
Cc1ccccc1-n1cccc1C(=O)NN	223722976	QBLVOYYGPDVWCB-UHFFFAOYSA-N	215.256	1.389	50	40	BDGB	
C[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	53075	UCFAZPAUOIGREJ-LURJTMIESA-N	204.229	1.354	50	40	BDGB	
CCC(=O)N/N=C/c1ccc(OC)cc1	3160794	GBPPVEMYMXMCRY-XYOKQWHBSA-N	206.245	1.555	50	40	BDGB	
ClCCn1cc(Br)cn1	38054217	NOFUQFJPUMIBER-UHFFFAOYSA-N	209.474	1.884	50	40	BDGB	
CN(C[C@@H]1CCCCN1C)C(=O)CCl	79406468	PMNKLPLJMKKDAF-VIFPVBQESA-N	218.728	1.168	50	40	BDGB	
N#CC1(O)CCN(CCc2ccccc2)CC1	95762860	XIUVZQCJSZGEJF-UHFFFAOYSA-N	230.311	1.580	50	40	BDGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(N)=O	5503158	OERIEMCNIQZZKL-KBEAGGLJSA-N	247.254	1.473	50	40	BDGB	
CC[C@@H]1S[C@@H](C)CC(=NNC(N)=O)[C@H]1C	4815005	CXEKRAUJXURPPU-OOZYFLPDSA-N	229.349	1.951	50	40	BDGB	
CN(C)c1ccc(/C=N/C(C#N)=C(\N)C#N)cc1	100254254	QPBXVINHXQCKKI-BMPCYJNPSA-N	239.282	1.389	50	40	BDGB	
O=C1[C@H](Br)CCN1c1ncco1	67802415	UMEKWGFIXKDCGJ-RXMQYKEDSA-N	231.049	1.175	50	40	BDGB	
CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1	408719090	CSTXNYDLSGMKRN-RIYZIHGNSA-N	233.271	1.505	50	40	BDGB	
CCO/C=C(/C#N)S(=O)(=O)c1ccccc1	2170097	PUKBSEPGZUQYAT-LUAWRHEFSA-N	237.280	1.862	50	40	BDGB	
O=C1OC(=O)[C@@]2(Br)[C@H]1[C@@H]1C=C[C@H]2C1	104105499	CLTOWDKISUFHLB-OLHMAJIHSA-N	243.056	1.026	50	40	BDGB	
COc1ccc2cc(C(=O)NN)c(C)nc2c1	68135135	YHIFAZUHFRLZPU-UHFFFAOYSA-N	231.255	1.155	50	40	BDGB	
COC(=O)c1cc(C(=O)Cl)n(CC(C)C)n1	408717631	LGJGYSIFAFOYEG-UHFFFAOYSA-N	244.678	1.705	50	40	BDGB	
O=C(N/N=C/c1cccs1)c1cnccn1	4898241	SGAOTMMINQIWFZ-AWNIVKPZSA-N	232.268	1.302	50	40	BDGB	
CC(=O)C/C(C)=N/NC(=O)c1ccncc1	100005364	ZCQNZSDBAMZCED-MDWZMJQESA-N	219.244	1.166	50	40	BDGB	
Cc1cccc(C(=O)NNC(=O)C(C)(C)C)c1	146502	QARNCHUWCMTDMG-UHFFFAOYSA-N	234.299	1.802	50	40	BDGB	
NNC(=O)c1cccc(-c2ccc(O)cc2)c1	108487538	SXMTYLWMSQSQFL-UHFFFAOYSA-N	228.251	1.663	50	40	BDGB	
CC1=C[C@@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12	104281456	SHNKPHYZJIVILY-XBJGVBRDSA-N	216.236	1.310	50	40	BDGB	
CC(C)c1ccc(/C=N\NC(N)=O)cc1	31601477	GUYURJHCOAZNNL-QPEQYQDCSA-N	205.261	1.812	50	40	BDGB	
O=S(=O)(CCl)Nc1ccncc1	5007996	WSENPIBAXTWOMN-UHFFFAOYSA-N	206.654	1.020	50	40	BDGB	
O=C(NNC(=O)[C@H]1CC=CCC1)c1cccnc1	5770207	RWYJDWOUEDRYAX-JTQLQIEISA-N	245.282	1.199	50	40	BDGB	
CCOC(=O)c1cnn(CCCl)c1C	1775970870	SXGCPIJBZYOXJA-UHFFFAOYSA-N	216.668	1.607	50	40	BDGB	
O=C(/C=C/c1ccc(F)cc1)NNC(=O)C1CC1	586779	NZOFKNMXQQGBGD-FPYGCLRLSA-N	248.257	1.396	50	40	BDGB	
COC[C@H](OC)[C@H](CC=C(C#N)C#N)OC	1628965	MQMXFBSFZANTIS-QWRGUYRKSA-N	224.260	1.026	50	40	BDGB	
Cc1ccc(C(=O)N/N=C\c2ccco2)cn1	4592249	QTLIWLDDIFNCLS-ZSOIEALJSA-N	229.239	1.747	50	40	BDGB	
Cc1ccccc1CCNC(=O)CCl	8155963	CKOKKRODDYODDG-UHFFFAOYSA-N	211.692	1.893	50	40	BDGB	in-vitro
CN(C[C@@H]1CCCCN1C(=O)CCl)C1CC1	79419221	WYUHJRXNZSOSAQ-NSHDSACASA-N	244.766	1.701	50	40	BDGB	
CC(C)(O)C(=O)N/N=C/c1ccccc1F	32578401	MKFGWFHJSZZKGK-NTUHNPAUSA-N	224.235	1.047	50	40	BDGB	
NNC(=O)c1c[nH]c(=S)n1C1CCCCC1	225320061	AXWWEWOERWLCRU-UHFFFAOYSA-N	240.332	1.654	50	40	BDGB	
N#C/C(C(N)=O)=C(\S)Nc1ccccc1	100306429	JIQJAFZGFLHONQ-CSKARUKUSA-N	219.269	1.249	50	40	BDGB	
COc1ccc(CCNC(=O)[C@H](C)Cl)cc1	12504907	BHALFLNGLIZOFA-VIFPVBQESA-N	241.718	1.981	50	40	BDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1	59333473	VUBKQRYHAWYWKB-YFHOEESVSA-N	245.238	1.590	50	40	BDGB	
CC(=O)OC(=O)[C@@H](N)Cc1ccc(Cl)cc1	100497397	GDDXBPKFXVQRNU-JTQLQIEISA-N	241.674	1.300	50	40	BDGB	
NC(=O)N/N=C/c1cccc(C(F)(F)F)c1	3264959	RGUBCECVUGJHQA-LHHJGKSTSA-N	231.177	1.708	50	40	BDGB	
CO/N=[N+](\[O-])C(Br)Br	4681688	WOICKFYVSLWEMS-WAYWQWQTSA-N	247.874	1.584	50	40	BDGB	
CS(=O)(=O)[C@@H](Cl)C(=O)c1ccccc1	39476348	ZEXIJIGDABUVNK-SECBINFHSA-N	232.688	1.479	50	40	BDGB	
C[C@H](CCl)OCCOCCCl	5532320	ABPWHFHVXRVRBQ-SSDOTTSWSA-N	201.093	1.886	50	40	BDGB	
O=C(CCl)Nc1ccc2[nH]ncc2c1	20495895	ATZNAAJALAPMNB-UHFFFAOYSA-N	209.636	1.740	50	40	BDGB	
Cc1ccc(/C=N/NC(=O)CC#N)c(C)c1C	58927960	RLTOCSVPHIQWEH-OVCLIPMQSA-N	229.283	1.976	50	40	BDGB	
NNC(=O)c1ccc(COc2ccccc2)o1	2661560	DWKKGVSUBJSFCU-UHFFFAOYSA-N	232.239	1.462	50	40	BDGB	
COC(=O)c1cc(C(=O)CCl)c(C)[nH]1	39118894	DEJIKJRQRUZJSV-UHFFFAOYSA-N	215.636	1.531	50	40	BDGB	
C/C(=N/NC(N)=O)c1ccccc1OC(F)F	38367232	MRRCMGREIDPPGT-NSIKDUERSA-N	243.213	1.680	50	40	BDGB	
CN(CC(=O)c1ccco1)C(=O)CCl	79436128	CCCBDKWZGQHTAT-UHFFFAOYSA-N	215.636	1.160	50	40	BDGB	
CCCN1CCN(CCCBr)CC1	42372915	YYDUZNDRCBXZLM-UHFFFAOYSA-N	249.196	1.799	50	40	BDGB	
Cc1ccc(Cc2ccc(C(=O)NN)[nH]2)cc1	226030078	JVQULHBEIHWIET-UHFFFAOYSA-N	229.283	1.517	50	40	BDGB	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(F)cc1	12623024	VYFXJZDLUYQMMK-XCBNKYQSSA-N	236.246	1.243	50	40	BDGB	
O=C(CCl)Nc1ccc(C2=NCCO2)cc1	6221423	ABWXJJPTMMEEPI-UHFFFAOYSA-N	238.674	1.641	50	40	BDGB	
Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)o1	2769922	KHFCANNETVJXQO-RMKNXTFCSA-N	216.240	1.774	50	40	BDGB	
CN(C)Cc1ccc(CNC(=O)CCl)cc1	4219083	PZELJCNMOBICCQ-UHFFFAOYSA-N	240.734	1.603	50	40	BDGB	in-vitro
O=C(N/N=C\c1ccc(F)cc1)C1CC1	31649141	GIPGXVIXPBNKON-QPEQYQDCSA-N	206.220	1.686	50	40	BDGB	
O=C(N/N=C\c1ccc[nH]1)c1ccncc1	73035347	KDQVQTMHLLRGMH-ZSOIEALJSA-N	214.228	1.174	50	40	BDGB	
Cn1c(Cc2ccccc2)ccc1C(=O)NN	226027300	CNKSZRCIITYFHT-UHFFFAOYSA-N	229.283	1.219	50	40	BDGB	
COc1ccccc1CCNC(=O)CCl	3608552	RSWLLNXPBUJXFT-UHFFFAOYSA-N	227.691	1.593	50	40	BDGB	in-vitro
O=C(N/N=C1/CCCN1)c1ccccc1	3172578	FRBGBWIKHGXGJC-UHFFFAOYSA-N	203.245	1.113	50	40	BDGB	
COc1ccc(CBr)nc1	34484823	BWJMXVLESLHVNR-UHFFFAOYSA-N	202.051	1.985	50	40	BDGB	
CC(C)N(C)[C@H]1CCCC[C@H]1NC(=O)CCl	101676870	KFRQHTJCURFRJF-MNOVXSKESA-N	246.782	1.993	50	40	BDGB	
CC(=O)N/N=C/c1ccc(N2CCCC2)o1	59138181	MDBKVYLDYBZQOM-XYOKQWHBSA-N	221.260	1.350	50	40	BDGB	
CCCN1CCC(=NNC(=O)C2CC2)CC1	5430817	ICOWVACTZUTELB-UHFFFAOYSA-N	223.320	1.374	50	40	BDGB	
CCc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C)cc1	18095413	AVTQTVFOHNBPAQ-SKDRFNHKSA-N	246.310	1.666	50	40	BDGB	
C#CC(C)(C)OC[C@H](CCl)OC(N)=O	5713298	LYNKDYGCNZUIIY-ZETCQYMHSA-N	219.668	1.118	50	40	BDGB	
CO[C@]12CC[C@@H](C)CC1=C(C#N)C(C#N)=C(N)O2	96336588	SQSHGYHQEMQDEV-OQPBUACISA-N	245.282	1.693	50	40	BDGB	
CCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(COC)c21	550620	LZGURHTWSPFVKS-SSDOTTSWSA-N	248.286	1.526	50	40	BDGB	
CN(N=O)C(=O)NCCc1ccccc1	4804390	CCTNAWUIFAFNJU-UHFFFAOYSA-N	207.233	1.552	50	40	BDGB	
O=S1(=O)[C@H]2CCCC[C@@H]1[C@@H](Cl)[C@H]2Cl	104282338	XCLTYUCRBZFSLL-KVFPUHGPSA-N	243.155	1.941	50	40	BDGB	
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Cl	2650177	QGQFQOZYPDIRQG-APPZFPTMSA-N	202.685	1.668	50	40	BDGB	in-vitro
C[C@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O	3882800	FVLYPXOSHYZOPT-ZCFIWIBFSA-N	237.642	1.437	50	40	BDGB	
CCCn1nc(C(=O)Cl)cc1C(=O)OCC	408717875	YXBWJXWNEDVNPT-UHFFFAOYSA-N	244.678	1.849	50	40	BDGB	
CCC(=O)N/N=C(/C)CC(=O)N[C@H](C)CC	14923388	BOMJWWBMUWBYJA-MZTZJWPHSA-N	227.308	1.193	50	40	BDGB	
N#CC(C#N)=C1C(C#N)=C(N)O[C@H]1c1ccccc1	128747	CLWBUPPCKHVLRI-ZDUSSCGKSA-N	248.245	1.796	50	40	BDGB	
CN1C(=O)C(=C(C#N)C#N)c2ccccc21	558734	USVCKPGIQIXXJD-UHFFFAOYSA-N	209.208	1.464	50	40	BDGB	
NC(=O)NNC(=O)Nc1ccccc1Cl	95408295	MZSIEDVUOHPHFX-UHFFFAOYSA-N	228.639	1.045	50	40	BDGB	
C[C@H](Cl)C(=O)NNc1cccc(Cl)n1	1394445	ZXJRKLKRLVRTFE-YFKPBYRVSA-N	234.086	1.805	50	40	BDGB	
CO[C@H]1CC[C@H]2N[C@@H](Cl)C[C@@H](C(=O)O)[C@@H]2C1	4532485	CWGRCZUHVKLQCS-SRQGCSHVSA-N	247.722	1.429	50	40	BDGB	
CCOC(=O)CC(=O)CCCCCl	34104344	OXPOIABOXLXYKI-UHFFFAOYSA-N	206.669	1.918	50	40	BDGB	
CCNC(=O)NNC(=O)c1ccccc1Cl	43466615	VUYHYPIHDLDGKH-UHFFFAOYSA-N	241.678	1.304	50	40	BDGB	
CC(C)Cc1cc(=O)[nH]c(CCl)n1	87522499	JDDUSPSMDIRBOO-UHFFFAOYSA-N	200.669	1.707	50	40	BDGB	
CN(C)NC(=O)NC12CC3CC(CC(C3)C1)C2	5811609	KWUVLQSOBDEUAK-UHFFFAOYSA-N	237.347	1.731	50	40	BDGB	
CC(C)/C=N/NC(=O)c1ccc(O)cc1	5380224	YNNQLLKNGHDCTK-KPKJPENVSA-N	206.245	1.764	50	40	BDGB	
C/C=N/NC(=O)c1ccc(C(=O)N/N=C/C)cc1	4855137	NDECYMBYMYIWEO-NPJRDEIVSA-N	246.270	1.158	50	40	BDGB	
COc1ccc(C(=O)O/N=C(\N)CCl)cc1	8552867	DGYVBCKVONEHNV-UHFFFAOYSA-N	242.662	1.363	50	40	BDGB	
O=C(NCCCl)NC[C@@H]1CCCCO1	5065339	OSXOLLFXKMDCON-QMMMGPOBSA-N	220.700	1.094	50	40	BDGB	
O=[PH](OCCCl)OCCCl	150344196	JVEYFMWXKWGBJR-UHFFFAOYSA-N	206.993	1.887	50	40	BDGB	
NNC(=O)COc1c(Cl)cccc1Cl	3188292	IPVXHXGWKUCFBU-UHFFFAOYSA-N	235.070	1.362	50	40	BDGB	
C[C@@]12C[C@H](C(C#N)=C(N)N1)c1ccccc1O2	100515927	MFJLVQPMXNDGLJ-TVQRCGJNSA-N	227.267	1.566	50	40	BDGB	
CC(=O)Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1598993	OEMKFZGDLXBFNO-UHFFFAOYSA-N	240.171	1.737	50	40	BDGB	
COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	248065	IUOSQCONBLAUEC-RUDMXATFSA-N	231.207	1.495	50	40	BDGB	
C[P@](=O)(O)CCC(=O)NNc1ccccc1	1277562	MYBAKHGOJWWNQZ-UHFFFAOYSA-N	242.215	1.420	50	40	BDGB	
O=C(CCl)NCc1ccc([N+](=O)[O-])cc1	1619268	VFBUDPDUPLYXIC-UHFFFAOYSA-N	228.635	1.450	50	40	BDGB	
CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21	104057132	JQYGJEFBLOYFRC-AKEJEFCPSA-N	206.241	1.678	50	40	BDGB	
CC(C)(C)OC(=O)N[C@@H](CO)CCl	117655126	UVUHZZFYJGGEFI-ZCFIWIBFSA-N	209.673	1.111	50	40	BDGB	
Cc1ccc(OCC(=O)NN)c(-c2ccno2)c1	68675308	NWLXSRUDJDSUIC-UHFFFAOYSA-N	247.254	1.019	50	40	BDGB	
Cc1cc(C(=O)NN)c(C)n1Cc1ccco1	223699037	KMKDXTKUGQVJKX-UHFFFAOYSA-N	233.271	1.350	50	40	BDGB	
CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@H]1C(=O)NN	102750540	PPCFHJICCBNMPT-GRYCIOLGSA-N	240.347	1.500	50	40	BDGB	
CCOC(=O)NNC(=O)c1ccnc(Cl)c1	71810144	YTWWUUJPUNKPRO-UHFFFAOYSA-N	243.650	1.126	50	40	BDGB	
Cc1cc(/C=N\NC(N)=O)ccc1N1CCCC1	95952302	YJSQXHOHEXPQFD-DHDCSXOGSA-N	246.314	1.597	50	40	BDGB	
CCOC(=O)C/C(C)=N\NC(=O)c1ccncc1	17058588	KQYAFKZHQIMQMF-ZROIWOOFSA-N	249.270	1.141	50	40	BDGB	
NNC(=O)[C@@H](c1ccccc1)N1CCCCC1	95696057	WVMOCKKPGGDUIX-GFCCVEGCSA-N	233.315	1.204	50	40	BDGB	
CC(=O)N(C(C)C)[C@@H]1CCN(C(=O)CCl)C1	79417050	DPZITPFSPQERCG-SNVBAGLBSA-N	246.738	1.083	50	40	BDGB	
O=C1CCC2(C[C@H]1Br)OCCO2	95761011	KEYNACNTEZWDJL-ZCFIWIBFSA-N	235.077	1.246	50	40	BDGB	
CCOc1ccc(/C=N/NC(N)=O)cc1OC	225645	GFPYKJNAVIIYON-NTUHNPAUSA-N	237.259	1.096	50	40	BDGB	
CC(C)(O)C#CCN(CCCl)CCCl	1703671	KHZMYKAQAYBKJZ-UHFFFAOYSA-N	238.158	1.540	50	40	BDGB	
CC(/C=C\c1ccc([N+](=O)[O-])o1)=N/NC(N)=O	8615555	CINUUHOYDXCJFA-VBMJPKKGSA-N	238.203	1.245	50	40	BDGB	
O=C(CCl)NCc1ccccc1[N+](=O)[O-]	48207278	NNYYDXQBQQLMSH-UHFFFAOYSA-N	228.635	1.450	50	40	BDGB	in-vitro
NNP(=O)(c1ccccc1)c1ccccc1	40664	NRACHDIQCDJEIP-UHFFFAOYSA-N	232.223	1.379	50	40	BDGB	biogenic
CC(C)CCc1ccc(C(=O)NN)n1C	226024547	ZHJLYXPLKNJUME-UHFFFAOYSA-N	209.293	1.217	50	40	BDGB	
O[C@H](CBr)C1CCOCC1	96511395	OKHIFRRBGHULIA-SSDOTTSWSA-N	209.083	1.169	50	40	BDGB	
ICN1CCCCC1	14983058	OLCWOQAPVNRXSO-UHFFFAOYSA-N	225.073	1.865	50	40	BDGB	
C/C(=N/O)C(C)(C)NNC(=O)NC(C)(C)C	101274175	RUTXZIOUTMJJBQ-QPEQYQDCSA-N	230.312	1.217	50	40	BDGB	
N#C/C(=C\c1cccnc1)C(=O)NC1CC1	6633400	FIZOFYMYIHKFJV-UXBLZVDNSA-N	213.240	1.267	50	40	BDGB	
CCOC(=O)N/N=C(/C)c1ccccc1O	103881446	IEXXMWVQEHFCIW-WQLSENKSSA-N	222.244	1.862	50	40	BDGB	
Cn1c(CBr)cnc1[N+](=O)[O-]	28259789	BQAPMRHAUAEUJV-UHFFFAOYSA-N	220.026	1.223	50	40	BDGB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)CCl	78645396	SUMIWORFUZTLFW-ZCFIWIBFSA-N	221.684	1.708	50	40	BDGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)C(C)C	46426579	LUABPBXYTIEEQQ-UHFFFAOYSA-N	245.282	1.423	50	40	BDGB	
CCS(=O)(=O)[C@@H](Cl)C(=O)C(C)(C)C	96517820	SZZNTDHGJTZAAN-SSDOTTSWSA-N	226.725	1.601	50	40	BDGB	
CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccccc1	96518910	UGIJGOSTAMHYHN-UWVGGRQHSA-N	248.731	1.720	50	40	BDGB	
CC(C)CNC(=O)NC(=O)[C@H](C)Cl	8939878	WVGYYTZZNCSBQI-LURJTMIESA-N	206.673	1.096	50	40	BDGB	in-vitro
O=C(N/N=C/c1ccccc1)c1ccc[n+]([O-])c1	3167455	FKUJSFCXLMILLM-NTEUORMPSA-N	241.250	1.084	50	40	BDGB	
COc1ccccc1OCCNC(=O)CCl	12504852	KNVHMXSCCDHSLU-UHFFFAOYSA-N	243.690	1.429	50	40	BDGB	
COc1cc(C(=O)OC(C)=O)cc(OC)c1O	100500990	CGJUTGBTXJLTBA-UHFFFAOYSA-N	240.211	1.113	50	40	BDGB	
Cn1c(=O)c2ccccc2n2c(CCl)nnc12	3440574	HCHVBXJEWGACEA-UHFFFAOYSA-N	248.673	1.320	50	40	BDGB	
C[C@@H](Cl)C(=O)NC(=O)NC(C)(C)C	8428155	RTIAQJPBFOSSDR-RXMQYKEDSA-N	206.673	1.238	50	40	BDGB	in-vitro
CCn1c(Cc2ccccc2)ccc1C(=O)NN	226027379	ZEEMSTQRSGWYIB-UHFFFAOYSA-N	243.310	1.702	50	40	BDGB	
COC(=O)/C=C/C=C/CBr	38235490	YVJYHTBQRJXDJT-ZUVMSYQZSA-N	205.051	1.667	50	40	BDGB	
O=C(Cl)[C@H]1CC(c2ccccn2)=NO1	85347997	ZCPJOLKNARGEIO-MRVPVSSYSA-N	210.620	1.340	50	40	BDGB	
O=C(Cl)CI	5226702	BSVMPWANOMFSPR-UHFFFAOYSA-N	204.394	1.187	50	40	BDGB	in-vitro
O=CN/N=C/c1cc(Cl)cc(Cl)c1O	16922422	NZGHELMGHHAQFA-QDEBKDIKSA-N	233.054	1.779	50	40	BDGB	
O=C(CCl)N1CCCc2cc(O)ccc21	39238369	JYUWHHHXECHQED-UHFFFAOYSA-N	225.675	1.910	50	40	BDGB	
Cc1ccc2cc(C(=O)NN)cnc2c1C	68135227	YVVKISLXPHXROA-UHFFFAOYSA-N	215.256	1.455	50	40	BDGB	
C/C(=N\NC(N)=O)c1cc(C)ccc1O	5541845	FGFPOOLUYASSKU-KPKJPENVSA-N	207.233	1.093	50	40	BDGB	
CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21	102582857	LEVGEMOUBVHJCN-XFFJFQIUSA-N	204.225	1.454	50	40	BDGB	
CCOC(=O)C[C@@]1(C)OC[C@@H](CCl)O1	1676989	TUMTUTINUPUPTC-APPZFPTMSA-N	222.668	1.310	50	40	BDGB	
CC(C)=NNC(=O)C(=O)Nc1ccccc1F	59434096	UPOGOHDOAYUFGZ-UHFFFAOYSA-N	237.234	1.276	50	40	BDGB	
CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)cc1	18095410	AVTQTVFOHNBPAQ-JOYOIKCWSA-N	246.310	1.666	50	40	BDGB	
COc1cc([N+](=O)[O-])cc(CO)c1OC(C)=O	216771366	JRMIWBZOSBHKKV-UHFFFAOYSA-N	241.199	1.021	50	40	BDGB	
O=C(N/N=C\c1ccccc1)c1cnccn1	32576833	IXDUNTSAFDFMPK-NVNXTCNLSA-N	226.239	1.241	50	40	BDGB	
COc1cccc2c(/C=C(\C#N)C(N)=O)c[nH]c12	44918580	VDAFGKCUQFVWIZ-VMPITWQZSA-N	241.250	1.569	50	40	BDGB	
COC(=O)c1cnccc1CBr	95093369	TXODGFIMADZZFK-UHFFFAOYSA-N	230.061	1.763	50	40	BDGB	
O=C(CCl)NCc1cccc(F)c1	20473621	ZDJJDJFJYVGNJY-UHFFFAOYSA-N	201.628	1.681	50	40	BDGB	in-vitro
O=C(O)[C@H]1[C@H]2CC[C@H]1[C@H](Br)C2=O	104146106	DAWDCUWVWJLJCU-KAZBKCHUSA-N	233.061	1.060	50	40	BDGB	
CC[C@](C)(C(=O)NN)N1CCCC[C@@H]1C	22123731	VKQWNKWYYQMFSC-GXSJLCMTSA-N	213.325	1.019	50	40	BDGB	
C[C@H](Br)[C@@H](O)C(F)(F)F	4329274	ZYTIKOBNGZIVKJ-STHAYSLISA-N	206.989	1.693	50	40	BDGB	in-vitro
O=c1oc2ccccc2n1CCBr	6886128	ZXIXDDXYXCANPH-UHFFFAOYSA-N	242.072	1.989	50	40	BDGB	
CN(C)C1CCC(N(C)C(=O)CCl)CC1	79406484	CWQORMFZVKAUQU-UHFFFAOYSA-N	232.755	1.556	50	40	BDGB	
CCC[C@H](C(=O)NN)N1C[C@@H](C)C[C@H](C)C1	35655773	QDLVTGWISNJXDD-GARJFASQSA-N	227.352	1.123	50	40	BDGB	
CCOC(=O)[C@@H]1CC[C@H](Br)C1=O	95919665	KDQZTFCNIZYCQV-RITPCOANSA-N	235.077	1.292	50	40	BDGB	
O=C(Cl)OCCOCC(F)(F)F	1083809867	XOBBDKXOZDVINZ-UHFFFAOYSA-N	206.547	1.941	50	40	BDGB	
O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1ccccn1	5949384	JOMMGSHZFUTLSY-ASYFJWBASA-N	229.283	1.987	50	40	BDGB	
Br[C@@H]1CNC[C@@H](Br)C1	100232819	AQKWBBJYFVHMRO-WHFBIAKZSA-N	242.942	1.507	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccc(O)cc1	102411516	NMXWNSOGGMUUKI-GHXNOFRVSA-N	206.245	1.498	50	40	BDGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(C)=O	408719695	KCZVIZGZMBCBRV-IZZDOVSWSA-N	237.215	1.073	50	40	BDGB	
CS(=O)(=O)Oc1ccc(C(=O)Cl)cc1	73641558	WWZHZVKZPLNFEQ-UHFFFAOYSA-N	234.660	1.404	50	40	BDGB	
CC[C@@](C)(C(=O)NN)N1CCCCCC1	22123820	RRJQDJKSUZDRSZ-NSHDSACASA-N	213.325	1.021	50	40	BDGB	
O=[N+]([O-])c1cc(CCl)n(C(F)F)n1	953055569	SCELMDWSMPAURF-UHFFFAOYSA-N	211.555	1.925	50	40	BDGB	
COc1cc(C)c(/C=N/NC(C)=O)cc1OC	6201526	NMIMNUITSQLUPL-NTUHNPAUSA-N	236.271	1.482	50	40	BDGB	
O=C(Cc1cccs1)N/N=C/c1ccc[nH]1	175281	GNSGDRBWLHJPJB-MDWZMJQESA-N	233.296	1.769	50	40	BDGB	
CCS(=O)(=O)C[C@@H](Cl)CCl	100241626	CHCCCHNLFIHJKU-YFKPBYRVSA-N	205.106	1.267	50	40	BDGB	
CO[C@H](C(=O)NN=C(C)C)c1ccccc1	20248922	RKCGWSNTAKILFI-NSHDSACASA-N	220.272	1.886	50	40	BDGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cccnc1	4646971	JYWATBJXVPZQPY-LCIPLAHLSA-N	227.267	1.763	50	40	BDGB	
CC(C)C(=O)NNC(=O)c1ccc(N(C)C)cc1	9377887	PUBKHYRFVHVUQE-UHFFFAOYSA-N	249.314	1.170	50	40	BDGB	
CN1CCC(CN(C)C(=O)CCl)CC1	63121218	UVMSFZLHSWMHRN-UHFFFAOYSA-N	218.728	1.025	50	40	BDGB	
CCCCCCC(=O)N/N=C/C(=O)O	72370091	UIEZVUUVYJFHLL-JXMROGBWSA-N	200.238	1.143	50	40	BDGB	
CC(C)C(=O)N/N=C\c1ccc(N(C)C)cc1	97499312	NPHKUNYAXYSQER-ZROIWOOFSA-N	233.315	1.859	50	40	BDGB	
O=C(CCl)N(C[C@@H]1CCOC1)C1CC1	37834586	VFMDBZPXRIDRPD-QMMMGPOBSA-N	217.696	1.253	50	40	BDGB	
Cc1ccc(C(=O)N/N=C/c2ccco2)cn1	261486	QTLIWLDDIFNCLS-RIYZIHGNSA-N	229.239	1.747	50	40	BDGB	
CC(C)(O)C(=O)NNc1cccc(Cl)c1	520112	ZKGBAHGNDLBWPL-UHFFFAOYSA-N	228.679	1.554	50	40	BDGB	
CS(=O)(=O)[C@H]1CCCC[C@H]1SC#N	1768074	BPTWEHOUUDRHON-SFYZADRCSA-N	219.331	1.556	50	40	BDGB	
COc1ccc(N(C)C(=O)CCl)cc1OC	41289454	XXDBGSXQNUFRML-UHFFFAOYSA-N	243.690	1.905	50	40	BDGB	
OC[C@@H]1CCCN(CCCCCl)C1	228955178	UWOGYZONPDIFST-SNVBAGLBSA-N	205.729	1.710	50	40	BDGB	
COC(=O)c1c(C)[nH]c(C(=O)CCl)c1C	1465632	QMSNZKSVBGIMCE-UHFFFAOYSA-N	229.663	1.840	50	40	BDGB	in-vitro
O=C1N[C@@H](Cc2ccc(F)c(Cl)c2)C(=O)O1	1772715034	RRHTWDBWUIIMQS-QMMMGPOBSA-N	243.621	1.657	50	40	BDGB	
COc1ccc(/C=C/C(C)=N\NC(N)=O)cc1	5503156	KDKOYKPYFCGPBB-JWPZEYBRSA-N	233.271	1.753	50	40	BDGB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](Cl)CCl	1584846	IWWXQWGNLXJWIK-JGVFFNPUSA-N	243.086	1.327	50	40	BDGB	
Cn1ncc([N+](=O)[O-])c1CBr	4014791	QGPJCJIRUXPYLM-UHFFFAOYSA-N	220.026	1.223	50	40	BDGB	
CN(C)[C@H]1CC[C@H](NC(=O)CCl)CC1	100178302	WHAIWCKWYINKRO-DTORHVGOSA-N	218.728	1.214	50	40	BDGB	
COc1ccc(N/C=N\C(C#N)=C(/N)C#N)cc1	13285504	VOQQBJVXHHTURD-QXMHVHEDSA-N	241.254	1.353	50	40	BDGB	
CCOC(=O)NNC(=O)c1cc(C)oc1C	6436495	OCSFZBVAMCJVDJ-UHFFFAOYSA-N	226.232	1.287	50	40	BDGB	
O=C(NN=C1CCCC1)c1cc(O)cc(O)c1	15933864	WZZPPNPYIJXZAH-UHFFFAOYSA-N	234.255	1.758	50	40	BDGB	
CCC(=O)n1cc(C(=O)NN)c2ccccc21	216948977	LPLDFHUDDKIEKT-UHFFFAOYSA-N	231.255	1.295	50	40	BDGB	
CC(C)[C@H](N)C(=O)NC1CCC(Cl)CC1	79391928	VFMHUXNGGPQABX-RTBKNWGFSA-N	232.755	1.636	50	40	BDGB	
NC(=O)N/N=C/c1cc2ccccc2nc1Cl	43776366	JCPSTFYEMWMYMG-MKMNVTDBSA-N	248.673	1.890	50	40	BDGB	
N#C/C(=C\n1c(=S)[nH]c2ccccc21)C(N)=O	1636626	COAHLGJAPVYRQB-VOTSOKGWSA-N	244.279	1.549	50	40	BDGB	
CC(C)=NNC(=O)[C@@H]1CCN1Cc1ccccc1	5493216	JYJCWBSYRHILKI-ZDUSSCGKSA-N	245.326	1.773	50	40	BDGB	
COC(=O)c1cnc(CBr)c(F)c1	1857794370	QUXCFOCFAHDIFG-UHFFFAOYSA-N	248.051	1.902	50	40	BDGB	
CC(=O)OC[C@H](OC(C)=O)[C@H](Cl)CCl	1584843	IWWXQWGNLXJWIK-SFYZADRCSA-N	243.086	1.327	50	40	BDGB	
COC(=O)N/N=C/c1ccc(C(=O)OC)cc1	3471248	KBTISSQOJYQAFL-KPKJPENVSA-N	236.227	1.163	50	40	BDGB	
C/C(=N/NC(=O)c1ccncc1)C1CC1	12341366	MZJKLITVJAVTBG-JYRVWZFOSA-N	203.245	1.597	50	40	BDGB	
Cc1cc(CNC(=O)CCl)cc(C)c1O	3344958	UHLTWTVSXSHDRU-UHFFFAOYSA-N	227.691	1.864	50	40	BDGB	
NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	3885841	ABXPPZCMVGQVLA-UHFFFAOYSA-N	237.240	1.413	50	40	BDGB	
CN(C)/C=C/C1=C(C#N)C(=O)OC1(C)C	62716626	ALQAPGIORLZRIQ-AATRIKPKSA-N	206.245	1.217	50	40	BDGB	
COC(=O)N/N=C(\Cc1ccccc1)CN(C)C	31840783	RHTJBYIJNAKLDY-WYMLVPIESA-N	249.314	1.503	50	40	BDGB	
COC(=C\c1ccccc1)/C=C(/C#N)C(N)=O	35179289	MPWLWQZTKWFZNT-HONFXZPPSA-N	228.251	1.609	50	40	BDGB	
CS(=O)(=O)SCc1ccccc1	2379107	ULGDVKCUYZRBEK-UHFFFAOYSA-N	202.300	1.879	50	40	BDGB	in-vitro
C/C=C(\C)C(=O)N/N=C/c1cccnc1	138191	NWCFRBCENZSHIF-FZHVFJEOSA-N	203.245	1.498	50	40	BDGB	
O=Cc1c(-c2ccccc2)nnn1CCCl	1106002	LLNAPVSJDDHCPD-UHFFFAOYSA-N	235.674	1.996	50	40	BDGB	
O=C1OC(=O)[C@@H]2C[C@@H](Cl)[C@@H](Cl)C[C@H]12	104146835	WPQLFXWNCAIUOG-FBXFSONDSA-N	223.055	1.311	50	40	BDGB	
NNC(=O)C[C@H](c1ccccc1)c1ccco1	12322570	CRKHHOVJZLGLFN-LLVKDONJSA-N	230.267	1.792	50	40	BDGB	
CCOC(=O)CC(=O)[C@@H](C)Br	39284828	GRRGNEZVXPTAEH-RXMQYKEDSA-N	223.066	1.292	50	40	BDGB	in-vitro
C[C@H](Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	8183730	KAVUXOBVQPLOTK-YFKPBYRVSA-N	239.662	1.422	50	40	BDGB	
C[C@@H]1C=C[C@@H]([C@@H]2CC(=O)OC2=O)C12CC2	68571802	ZNKNMJIBQGFVDL-VGMNWLOBSA-N	206.241	1.678	50	40	BDGB	
CC(C)(C)[C@@H](O)[C@H](Cl)S(C)(=O)=O	96518897	QXAOPBFAOMFYPF-NTSWFWBYSA-N	214.714	1.003	50	40	BDGB	
O=C1C[C@H]2[C@@H](Br)C[C@H]1[C@@H]2C(=O)O	242437309	BXXPKNCQABBGDK-RASXUPOOSA-N	233.061	1.060	50	40	BDGB	
C=CCc1cc(/C=N/NC(N)=O)cc(OC)c1O	8108968	GLJAQVFDROBNBH-VGOFMYFVSA-N	249.270	1.132	50	40	BDGB	
O=C(NNC(=O)c1ccncc1)c1ccccc1	50804	UHMAPOLDLKSAOI-UHFFFAOYSA-N	241.250	1.156	50	40	BDGB