smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1C(=O)C2[C@H]3C=C[C@@H]4C1[C@H]1C=C[C@H]2C1C43	100940695	OLGOWVHNDGMLKK-MLPKDMOTSA-N	212.248	1.235	10	40	BDCB	
COCCOC(=O)N=NC(=O)OCCOC	256090380	PGHKJMVOHWKSLJ-UHFFFAOYSA-N	234.208	1.005	10	40	BDCB	
COc1ccc(N2CCNCC2)cc1F	7275964	PAJHHDMCTITZEM-UHFFFAOYSA-N	210.252	1.244	10	40	BDCB	in-vitro
CN(C)Cc1ccc(O)c(CN(C)C)c1	1871365	IVJXXQSXKSRPIL-UHFFFAOYSA-N	208.305	1.515	10	40	BDCB	
Cc1occc1-c1cc(N)n(CCO)n1	12480605	SBLMWLKNPUCOPV-UHFFFAOYSA-N	207.233	1.026	10	40	BDCB	in-vitro
N=c1ccccn1CC(=O)c1ccc(O)c(O)c1	20534261	PWFKIEOAEIQPOF-UHFFFAOYSA-N	244.250	1.262	10	40	BDCB	
CC(C)COC1=C([C@@H](C)O)C=N[S@@](C)(=O)=C1	218809596	ROSUDCFDQQPQBZ-ABKXIKBNSA-N	245.344	1.010	10	40	BDCB	
CC(C)NC(=O)c1ccn(-c2ccc(N)cc2)n1	12396239	SUJWUMCRDONBDE-UHFFFAOYSA-N	244.298	1.593	10	40	BDCB	
CN(C)CCNCc1cc(Cl)ccc1O	19823754	JGGVOJGVZUEIKM-UHFFFAOYSA-N	228.723	1.697	10	40	BDCB	
CCOC[C@@H](O)COc1ccc(N)cc1	34452169	XGLCTRQIEGPEPR-SNVBAGLBSA-N	211.261	1.045	10	40	BDCB	
COC1=C(OC)/C(=C/CN=[N+]=[N-])OC1=O	4701028	FCYVKALYLBOGPX-HYXAFXHYSA-N	211.177	1.242	10	40	BDCB	
C[C@@H]1CN(c2ccc(N)cc2)C[C@@H](C)N1	19797658	FPBFBURPCHKEKH-NXEZZACHSA-N	205.305	1.455	10	40	BDCB	
CC(=O)Nc1ccc(/N=N/N2CCOCC2)cc1	18286704	PSPJJIFJGYSIOL-CCEZHUSRSA-N	248.286	1.976	10	40	BDCB	
Cc1noc(COc2ccc(N)cc2)n1	22121218	ZASBLYCKFXOBTL-UHFFFAOYSA-N	205.217	1.539	10	40	BDCB	in-vitro
NCc1cc(I)ccc1O	39259821	WKLHAAJGSSZTFB-UHFFFAOYSA-N	249.051	1.456	10	40	BDCB	
N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	41027864	UHPPSCWPDXDGGW-LLVKDONJSA-N	240.734	1.969	10	40	BDCB	in-vitro
COC(=O)c1sc2cnccc2c1O	71255713	DSPYVWHLDMBWAE-UHFFFAOYSA-N	209.226	1.789	10	40	BDCB	
C[C@H](Nc1c[nH]c(=N)nn1)c1cccc(F)c1	1857793479	RWIMHGGLRIXHOK-ZETCQYMHSA-N	233.250	1.596	10	40	BDCB	
COc1ccc(N2CCCNCC2)cc1	20286494	NQONMMZWDHCWAW-UHFFFAOYSA-N	206.289	1.495	10	40	BDCB	in-vitro
CN(C)/N=N\c1cccc(NC(N)=O)c1	104196690	VDQUOTQDDGGJKW-SEYXRHQNSA-N	207.237	1.738	10	40	BDCB	
COc1ccc(N(C)CCCO)cc1OC	49820097	GPMKJUADLBWQLX-UHFFFAOYSA-N	225.288	1.522	10	40	BDCB	
CCN(CC)/N=N/c1c(C(N)=O)n[nH]c1C	17950713	IQIPLPPRGBWFQI-BUHFOSPRSA-N	224.268	1.158	10	40	BDCB	
COc1ccc(/N=N\c2c(N)n[nH]c2N)cc1	100349967	QNRNTYHAOBVOKW-YPKPFQOOSA-N	232.247	1.998	10	40	BDCB	
CN(Cc1ccccc1O)C(=O)NCC1CC1	45459481	GRPLVRMWQPBNHZ-UHFFFAOYSA-N	234.299	1.944	10	40	BDCB	
CCOC(=O)c1nc(C)[nH]c1/N=N\N(C)C	102995865	NUEUPPUYXCLQHE-SEYXRHQNSA-N	225.252	1.455	10	40	BDCB	
CCOC[C@H](O)COc1ccc(N)cc1	34452166	XGLCTRQIEGPEPR-JTQLQIEISA-N	211.261	1.045	10	40	BDCB	
C[C@H](c1ccccc1O)N(C)C(=O)c1cc[nH]n1	62777932	NKEBIXNPFVEZEB-SECBINFHSA-N	245.282	1.949	10	40	BDCB	
C[S@@]1(=O)=CC(=O)C[C@H](c2ccccc2)C1	16954046	OQKISOQWAPEYGY-NHYWBVRUSA-N	222.309	1.459	10	40	BDCB	
O=C1CC[C@@H](Cc2ccc(O)c(O)c2)O1	6091886	ZNXXWTPQHVLMQT-QMMMGPOBSA-N	208.213	1.346	10	40	BDCB	endogenous,in-man
Cc1cccc(N2C(=O)NC(=O)/C(=C/O)C2=O)c1	103555079	HJVDHYZVXZTFBX-TWGQIWQCSA-N	246.222	1.020	10	40	BDCB	
CCCS(=O)(=O)Nc1ccc(O)cc1C	45929239	XZMZXAZSFSBHGA-UHFFFAOYSA-N	229.301	1.852	10	40	BDCB	
Oc1ccc(C[n+]2ccccc2)cc1O	1584154	RVJCYWAFKFOVLI-UHFFFAOYSA-O	202.233	1.434	10	40	BDCB	
COc1cc(C(=O)C=[N+]=[N-])cc(OC)c1OC	4723074	IVHDSQGXPDWBED-UHFFFAOYSA-N	236.227	1.196	10	40	BDCB	
Cc1nc(C=S(C)(C)=O)cc(C2CCC2)n1	218794769	UNOHTXYLFJQTQU-UHFFFAOYSA-N	238.356	1.747	10	40	BDCB	
COC(=O)C1(NCc2ccc3c(c2)CCO3)CC1	83376892	TVHUGNHSOUVVKU-UHFFFAOYSA-N	247.294	1.417	10	40	BDCB	
O=C1NC(O)=NC(=S)/C1=C\c1ccco1	1249582	LHFAFLUHGHYZCS-XQRVVYSFSA-N	222.225	1.034	10	40	BDCB	
COc1ccc([C@@H](O)[C@@H](N=[N+]=[N-])C(=O)O)cc1	100638082	MSVJCKMPSJGBAQ-RKDXNWHRSA-N	237.215	1.492	10	40	BDCB	
CCCc1[nH]nc(C(N)=O)c1/N=N/N(C)C	16932306	IIZWDQFXSNNCGH-BUHFOSPRSA-N	224.268	1.021	10	40	BDCB	
CC[C@@H](CO)NCc1ccc2c(c1)CCO2	37362913	MDJKNNLXTRWOLH-LBPRGKRZSA-N	221.300	1.482	10	40	BDCB	
C[C@H]1CN(c2ccc(N)cc2)CCN1C	56979819	OCGBBJFKEQEASN-JTQLQIEISA-N	205.305	1.409	10	40	BDCB	
CCc1nnc(Cc2ccc(N)cc2)o1	217684983	VNOXRPOOTBTZQN-UHFFFAOYSA-N	203.245	1.805	10	40	BDCB	
CCn1cc(/C=C2\SC(N)=NC2=O)c(C)n1	20606633	FYMVUIVQEOIHOQ-YWEYNIOJSA-N	236.300	1.140	10	40	BDCB	
CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	12394606	UBFRDSVEMZHKQO-GQCTYLIASA-N	236.227	1.759	10	40	BDCB	
CCOC(=O)C1=Nc2ccccc2C1=[N+]=[N-]	4762843	HHXBUEDUJDFQEA-UHFFFAOYSA-N	215.212	1.355	10	40	BDCB	
CC1=NC(=O)N[C@@H](c2ccccc2O)[C@H]1C(=O)O	100265379	VAXKJZKKXSLAJX-UWVGGRQHSA-N	248.238	1.318	10	40	BDCB	
CC1=NNC(=O)/C1=C/NCc1ccc(Cl)cc1	100151386	XVOXUDXWNRRETM-YRNVUSSQSA-N	249.701	1.819	10	40	BDCB	
Nc1ccc2c(c1)C(=O)C(=O)c1cc(N)ccc1-2	2369677	FIPYLFQPDJPOKA-UHFFFAOYSA-N	238.246	1.897	10	40	BDCB	
CN1CCC(Nc2ccccc2N)CC1	37267298	ZXONFSGVQZHXDB-UHFFFAOYSA-N	205.305	1.775	10	40	BDCB	in-vitro
Cn1ccc(COc2ccc(N)cc2)n1	72209540	FMALOUGEOMDRFJ-UHFFFAOYSA-N	203.245	1.581	10	40	BDCB	
CCN(CC)C(=O)Cc1ccc(N)cc1	12481032	IHFMITFYRHDQCA-UHFFFAOYSA-N	206.289	1.680	10	40	BDCB	in-vitro
CN(C)CCCNCc1ccc(N(C)C)cc1	57901293	RZBFKJUBQNZTQS-UHFFFAOYSA-N	235.375	1.794	10	40	BDCB	
CCN(CCC(=O)O)c1ccc(OC)cc1	14001758	IPGKFTVKMPZDMY-UHFFFAOYSA-N	223.272	1.996	10	40	BDCB	
NNCc1cc(Br)ccc1O	83251919	GBJODDSRAXUIKG-UHFFFAOYSA-N	217.066	1.118	10	40	BDCB	
CC(C)=C1SC(=S)N(CC(=O)O)C1=O	5017072	ZLSOLYTZGBVNKU-UHFFFAOYSA-N	231.298	1.225	10	40	BDCB	
C[C@]12CC[C@H](C(=O)C1=O)[C@@]2(C)CCC(=O)O	103612238	HGJUJPUCZZMEQY-HFKOZYHYSA-N	224.256	1.426	10	40	BDCB	
O=C1c2ccccc2-c2nc3[nH]nc(O)c3cc21	18200991	WIIKZBUPHUOEMX-UHFFFAOYSA-N	237.218	1.875	10	40	BDCB	
COc1ccc(O)c(CNC(=O)C2CCC2)c1	78726262	UHABPPBAFDOSGJ-UHFFFAOYSA-N	235.283	1.817	10	40	BDCB	
Cc1ccc2c(N)c(C(=O)O)sc2n1	20149144	ZSZQAJUEIMYKCN-UHFFFAOYSA-N	208.242	1.885	10	40	BDCB	in-vitro
Cn1ccc(NCc2ccc(O)cc2O)n1	20352779	KVOAVSJNKCUBJG-UHFFFAOYSA-N	219.244	1.443	10	40	BDCB	
CCCN(CC(=O)O)c1ccc(OC)cc1	76611443	ZHCQQDGMPNNEHQ-UHFFFAOYSA-N	223.272	1.996	10	40	BDCB	
Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	20157026	UTTNQGIDXBLDRL-JTQLQIEISA-N	206.245	1.386	10	40	BDCB	in-vitro
Cc1n[nH]c(COc2ccc(N)cc2)n1	62719597	PJWVOCATJVVPEK-UHFFFAOYSA-N	204.233	1.274	10	40	BDCB	
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1N=[N+]=[N-]	1776010820	ONIFJYIOJUHWRX-JGVFFNPUSA-N	242.279	1.979	10	40	BDCB	
O=Cc1ccc(/C=C2/SC(=S)NC2=O)cc1	1639598	QSCTZTIMXSIZQE-WEVVVXLNSA-N	249.316	1.988	10	40	BDCB	
CN1CCN(CCCOc2ccc(N)cc2)CC1	19731937	AHACBCCMXMDLCU-UHFFFAOYSA-N	249.358	1.285	10	40	BDCB	
O=C(O)c1ccc2cc(O)c(O)cc2c1	6535079	NEEWJIPREFDATB-UHFFFAOYSA-N	204.181	1.949	10	40	BDCB	
C[C@H]1CN=C(c2ccc(O)c(O)c2)S1	104153749	SCHWHYOBBXKCMG-LURJTMIESA-N	209.270	1.980	10	40	BDCB	
Nc1ccc(CCN2CCOC2=O)cc1	35677244	UFZDPIAAXRLUNR-UHFFFAOYSA-N	206.245	1.264	10	40	BDCB	in-vitro
CCN(CC)c1ccc(CNCCC(N)=O)cc1	19736880	WEBTUTGDUSYFRQ-UHFFFAOYSA-N	249.358	1.498	10	40	BDCB	
CCN1C(=O)/C(=C/NC2CC2)SC1=S	618255270	UPJXORRKQBYZIT-ALCCZGGFSA-N	228.342	1.460	10	40	BDCB	
COc1ccc2c(c1O)CN1CCC(=O)C[C@@H]1C2	24717612	HEMCOQYXESBSDK-JTQLQIEISA-N	247.294	1.490	10	40	BDCB	
CNC(=O)[C@@H]1CCCN1/N=N/c1ccccc1	1414461	QELSGHLOGSLCNQ-AKCBPTIMSA-N	232.287	1.896	10	40	BDCB	
COC(=O)c1scc([N+](=O)[O-])c1O	8672878	SWWYFSVAMWJJTO-UHFFFAOYSA-N	203.175	1.149	10	40	BDCB	
Nc1ccc(O)c(CN2CCCCC2)c1	5933016	IONYOIUUXHUTNO-UHFFFAOYSA-N	206.289	1.960	10	40	BDCB	
CCOc1ccc(N2CC[C@@H](N)C2)cc1	37240344	HSGIHXNDBCNRKO-SNVBAGLBSA-N	206.289	1.623	10	40	BDCB	
O=C1NC(=S)S/C1=C/c1ccccn1	1033063	QUNOTGGCROUUQP-FNORWQNLSA-N	222.294	1.570	10	40	BDCB	
OCCn1ccc(NCc2ccccc2O)n1	256052926	PFGOPTABCNJBRO-UHFFFAOYSA-N	233.271	1.193	10	40	BDCB	
COc1ccccc1N[C@@H]1SC(=O)NC1=O	4063997	VDYJGLKBDHNTPC-SECBINFHSA-N	238.268	1.416	10	40	BDCB	
O=C1C(=O)C2[C@@H]3C4C5[C@H](C1[C@H]4[C@H]1C[C@H]31)[C@H]1C[C@H]1[C@@H]25	104290513	KPZGVZVLGTZKGK-BNEHATLFSA-N	240.302	1.394	10	40	BDCB	
CCn1cc(NCc2ccc(O)cc2O)cn1	20352789	RYEABQRKYPBGLJ-UHFFFAOYSA-N	233.271	1.926	10	40	BDCB	
CCN1CCN(CCOc2ccc(N)cc2)CC1	19201466	CBIUHNVXMPGTQP-UHFFFAOYSA-N	249.358	1.285	10	40	BDCB	
CN1C(=O)/C(=C/NC2CC2)SC1=S	618255355	YRAFRBOVMKNTMH-XQRVVYSFSA-N	214.315	1.070	10	40	BDCB	
c1cc2c(cc1N1CCCNCC1)OCCO2	39135175	BYXPPRKHBXJCEW-UHFFFAOYSA-N	234.299	1.258	10	40	BDCB	
CC(=O)Nc1cc(C)nn1-c1ccc(N)cc1	20283664	MSRJKFLYRRZCJL-UHFFFAOYSA-N	230.271	1.721	10	40	BDCB	in-vitro
CCC(=O)C(=O)c1ccc(O)c(C)c1O	1561427	MUOSUIHMKKAXNS-UHFFFAOYSA-N	208.213	1.568	10	40	BDCB	
CC1=NNC(=O)/C1=C/c1cccc([N+](=O)[O-])c1	100859861	AFVHDTCCCLQEDE-UXBLZVDNSA-N	231.211	1.484	10	40	BDCB	
CCc1nc(C=S(C)(C)=O)c2ccccc2n1	218781732	NBEMIJUMFUDEGO-UHFFFAOYSA-N	248.351	1.887	10	40	BDCB	
C[C@@H]1CN=C(c2ccc(O)c(O)c2)S1	104153745	SCHWHYOBBXKCMG-ZCFIWIBFSA-N	209.270	1.980	10	40	BDCB	
CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	75824248	FLNOGNVLLYIJMX-VIFPVBQESA-N	206.289	1.950	10	40	BDCB	
Nc1ncccc1OCc1cccnc1	26516970	CWTABSBJOPRRCO-UHFFFAOYSA-N	201.229	1.638	10	40	BDCB	in-vitro
Nc1ccc(N2CCC[C@H](CO)C2)cc1	57585337	ZPGVLDQXMSGLHG-JTQLQIEISA-N	206.289	1.478	10	40	BDCB	
CN(C[C@H]1CCOC1)c1ccc2c(c1)OCO2	95975344	WTDUBPOEMHAJQP-SNVBAGLBSA-N	235.283	1.888	10	40	BDCB	
CN1C(=O)/C(=C/c2cccnc2)SC1=S	12970970	MUMFFWVQIVWRGH-YVMONPNESA-N	236.321	1.913	10	40	BDCB	
CN/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C	100922800	HGUIABCTZGJERO-WQLSENKSSA-N	229.283	1.821	10	40	BDCB	
[N-]=[N+]=NCc1cc(=O)n2ccccc2n1	42390729	VZUPHYXPSIYIQM-UHFFFAOYSA-N	201.189	1.505	10	40	BDCB	
CN(C)c1ccc([C@H](N)CC(=O)O)cc1	2379815	FBJCAMOGCHOAOL-SNVBAGLBSA-N	208.261	1.227	10	40	BDCB	in-vitro
Cc1nc(C=S(C)(C)=O)c2ccccc2n1	218781618	RSFJHSSFVYXFHO-UHFFFAOYSA-N	234.324	1.633	10	40	BDCB	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CN=[N+]=[N-]	72207805	QLJPCGRLUVIWRR-BQBZGAKWSA-N	230.268	1.571	10	40	BDCB	
[N-]=[N+]=NCCOCCNCCOCCN=[N+]=[N-]	642881802	FXMWPZQWEUFICE-UHFFFAOYSA-N	243.271	1.230	10	40	BDCB	
CCOc1ccc(N(C)[C@@H](C)C(=O)O)cc1	224998713	FTMMURJMTZEOJU-VIFPVBQESA-N	223.272	1.995	10	40	BDCB	
CC1(C)OC(=O)C(=CNc2ccccn2)C(=O)O1	100218745	JKJIEDAXDKMETP-UHFFFAOYSA-N	248.238	1.214	10	40	BDCB	
CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C	36644017	CGLPZKCORWVQRG-QWHCGFSZSA-N	237.299	1.039	10	40	BDCB	
CN(C)c1ccc([C@H](N)C(=O)O)c2ccccc12	72196600	PHIRTLFFAOTGKX-ZDUSSCGKSA-N	244.294	1.990	10	40	BDCB	
C/C=C/[C@@H]1NCCc2cc(O)c(O)cc21	16137325	YPVNAXBRRYUCCS-PBKGFPTLSA-N	205.257	1.861	10	40	BDCB	
CC(C)CNC(=O)COc1ccc(N)cc1	9239347	MQJWZUJBUUYBOH-UHFFFAOYSA-N	222.288	1.420	10	40	BDCB	
CC(C)COC1=C([C@@H](C)O)C=N[S@](C)(=O)=C1	218809657	ROSUDCFDQQPQBZ-JDNHERCYSA-N	245.344	1.010	10	40	BDCB	
CC1CCN(C(=O)COc2ccc(N)cc2)CC1	9239343	PONXXYJJXVCIJY-UHFFFAOYSA-N	248.326	1.906	10	40	BDCB	
CON(C)Cc1cc2c(cc1O)OCO2	26554722	BBLRBXIVPBRKJX-UHFFFAOYSA-N	211.217	1.114	10	40	BDCB	
Cc1cc(N(C)C)ccc1[C@H](N)C(=O)O	199809522	DWWZZVOXIHISMP-JTQLQIEISA-N	208.261	1.145	10	40	BDCB	
COCCOc1cc(O)c(C(=O)OC)s1	96510865	IOZLLUBXXMECSS-UHFFFAOYSA-N	232.257	1.266	10	40	BDCB	
Nc1n[nH]c(O)c1/N=N/c1ccc2c(c1)OCO2	101477703	HIABFNYQXWBULB-OUKQBFOZSA-N	247.214	1.842	10	40	BDCB	
Cc1c(NCc2ccc(O)cc2O)cnn1C	20352787	MQOCEXPKUKOCGZ-UHFFFAOYSA-N	233.271	1.752	10	40	BDCB	
C[C@H]1CN(c2ccc(CN)cc2F)C[C@@H](C)O1	20469587	RQXUTJPPGWZYLD-AOOOYVTPSA-N	238.306	1.898	10	40	BDCB	in-vitro
CC[C@H]1SC(=S)N(CCCC(=O)O)C1=O	4745889	NICVCRKHLDOJOU-ZCFIWIBFSA-N	247.341	1.490	10	40	BDCB	
COc1ccc([C@@H](NN)c2ccccc2)c(O)c1	19265990	XWPOWZLKAWFKAX-AWEZNQCLSA-N	244.294	1.954	10	40	BDCB	
CCN(/C=C1\SC(=S)NC1=O)CC	17045398	LHZQIMNHAAOMML-WAYWQWQTSA-N	216.331	1.318	10	40	BDCB	
COc1ccc(N2CCNCC2)c(F)c1	59569792	FHNCJGDXQAPLPO-UHFFFAOYSA-N	210.252	1.244	10	40	BDCB	
CC(C)NC(=O)CCc1ccc(N)cc1	20186503	IFVVVVGAJRRPDA-UHFFFAOYSA-N	206.289	1.726	10	40	BDCB	
COC1CCN(c2ccc(N)cc2)CC1	20267244	KDSGFDGTUWELFP-UHFFFAOYSA-N	206.289	1.884	10	40	BDCB	in-vitro
NC[C@@H]1CCN(c2ccc3c(c2)OCO3)C1	11891732	BPBONVUJEKXSET-VIFPVBQESA-N	220.272	1.200	10	40	BDCB	
C[C@@]12CC[C@@H](C(=O)C1=O)[C@]2(C)CCC(=O)O	242498465	HGJUJPUCZZMEQY-CQFDHEJISA-N	224.256	1.426	10	40	BDCB	
O=C(O)CCCCN1C(=O)CSC1=S	2387632	KVEUMEOQMJZFRA-UHFFFAOYSA-N	233.314	1.102	10	40	BDCB	
CN(C)c1ccc(Cn2nccc2N)cc1	3888779	NURZXYPEYWICFY-UHFFFAOYSA-N	216.288	1.580	10	40	BDCB	in-vitro
Nc1ccc(C[C@@H]2CNC(=O)OC2)cc1	218684733	PSKACXIPWDSHAQ-SECBINFHSA-N	206.245	1.167	10	40	BDCB	
Cc1cc(N2C(=O)CCC2=O)ccc1N	8703497	UCSQEIZDGOTBOW-UHFFFAOYSA-N	204.229	1.231	10	40	BDCB	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CN=[N+]=[N-]	72207803	QLJPCGRLUVIWRR-NKWVEPMBSA-N	230.268	1.571	10	40	BDCB	
Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	35186160	PBXAKOQQFUMWLR-LLVKDONJSA-N	235.287	1.569	10	40	BDCB	in-vitro
CN(C)CCn1ccc2cc(N)ccc21	36949981	ICUAGVJSPXSOIN-UHFFFAOYSA-N	203.289	1.785	10	40	BDCB	in-vitro
[N-]=[N+]=NCC(=O)NC(=O)Nc1ccccc1	101353344	ZMJKXVKAZYQYOS-UHFFFAOYSA-N	219.204	1.645	10	40	BDCB	
CC(=O)O[C@H]1C[C@H]2C(=O)C(=O)[C@]1(C)C2(C)C	4228149	IBRVHONNJUWZOO-YVZVNANGSA-N	224.256	1.122	10	40	BDCB	
Cc1nn(C)cc1/C=C1\SC(S)=NC1=O	2573446	ULVTXBTWQJOCEQ-CLTKARDFSA-N	239.325	1.629	10	40	BDCB	
CONC(=O)c1cc(C)n(-c2ccccn2)c1C	84081380	JCYUBENKIAHUQU-UHFFFAOYSA-N	245.282	1.780	10	40	BDCB	
Cc1nc(CN(C)c2ccc3c(c2)OCO3)no1	95440748	RQCJFEBDLBRLFT-UHFFFAOYSA-N	247.254	1.743	10	40	BDCB	
CCOc1cc(C=O)cc(CN(C)C)c1O	616576209	OMKGBUUNEIYCGL-UHFFFAOYSA-N	223.272	1.665	10	40	BDCB	
NCc1cc(Br)c(O)c(CN)c1	225722726	OWJDAMBOJTUVMH-UHFFFAOYSA-N	231.093	1.072	10	40	BDCB	
CCN(CC)c1ccc([C@@H](N)C(=O)O)cc1	74039653	WXAIDIKAYUEWKN-LLVKDONJSA-N	222.288	1.617	10	40	BDCB	
Nc1ccc(CC(=O)NCc2cccnc2)cc1	20185669	PFZQVRFAGWUHEJ-UHFFFAOYSA-N	241.294	1.523	10	40	BDCB	
O=C1C(=O)[C@H]2[C@H]3C=C[C@H]4C3C3[C@H](CC[C@H]32)[C@@H]14	104290499	MBDZNXZQYJZLTE-RNUHCSFASA-N	214.264	1.459	10	40	BDCB	
COc1ccc(N2CCOCC2)c(N)c1	8701851	BECJQIPSWDVBPG-UHFFFAOYSA-N	208.261	1.114	10	40	BDCB	in-vitro
O=C1NN=C/C1=C\Nc1ccc(F)cc1F	3210196	QUNUPXXPZCSPTD-GQCTYLIASA-N	223.182	1.376	10	40	BDCB	
COC(=O)c1sc2nccc(C)c2c1N	33668653	BFRQCIMISSDBIR-UHFFFAOYSA-N	222.269	1.974	10	40	BDCB	
Nc1ccc(NC(=O)CCC(=O)O)cc1	1462749	BTFIPDZIPIAORW-UHFFFAOYSA-N	208.217	1.072	10	40	BDCB	
Cc1cc(O)c(Cl)cc1NS(C)(=O)=O	11851832	OTNRZLLOBYESGD-UHFFFAOYSA-N	235.692	1.726	10	40	BDCB	
COc1ccc(N2CCOCC2)cc1[N+](=O)[O-]	85223512	RUASRJAQVAMJLA-UHFFFAOYSA-N	238.243	1.440	10	40	BDCB	
COCOc1ccc(N2CCNCC2)cc1	65743252	ZRWKBRULROYORK-UHFFFAOYSA-N	222.288	1.079	10	40	BDCB	in-vitro
Nc1ccc(CNc2ccc3nncn3n2)cc1	66442666	HWYUAWPLALFWOK-UHFFFAOYSA-N	240.270	1.319	10	40	BDCB	
COc1ccc(N(C)CCCC(=O)O)cc1	49970450	JQTMLDHBKZWWSH-UHFFFAOYSA-N	223.272	1.996	10	40	BDCB	
COc1nn(C)cc1NCc1ccc(O)cc1O	256050014	CHVNCVVTTLDVHM-UHFFFAOYSA-N	249.270	1.452	10	40	BDCB	
Cc1ccc(N2N=C/C(=C/N(C)C)C2=O)cc1	27987016	YVIWREBRMJSPRI-LUAWRHEFSA-N	229.283	1.773	10	40	BDCB	
O=C1CCN[C@@H](c2c(O)ccc3ccccc23)N1	408736786	HZJYAAPOIGJAPV-CQSZACIVSA-N	242.278	1.654	10	40	BDCB	
CCc1ccccc1N1N=C(C)/C(=C/N)C1=O	104238369	HNTBGWJYSFMVAR-FLIBITNWSA-N	229.283	1.814	10	40	BDCB	
Nc1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1	20186530	RLZPBQCYKVKICM-ZDUSSCGKSA-N	248.326	1.497	10	40	BDCB	
COCC1=NNC(=O)/C1=C/Nc1ccccc1	95921748	HVCVDQRIFONSDB-JXMROGBWSA-N	231.255	1.115	10	40	BDCB	
Nc1ccc(CC(=O)NCC2CC2)cc1	20154970	ANWYZHYGKGVHEO-UHFFFAOYSA-N	204.273	1.338	10	40	BDCB	
CN(C)c1ccc(CNn2cn[nH]c2=S)cc1	5823355	SYZXDUOYAJKECA-UHFFFAOYSA-N	249.343	1.750	10	40	BDCB	
N[C@H](C(=O)O)c1c(O)ccc2ccccc12	22214	IJBVMBXKBDGZPQ-NSHDSACASA-N	217.224	1.630	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@@H](N=[N+]=[N-])[C@H](O)C1	78503001	FJCGXBAKIMNIDC-HTQZYQBOSA-N	242.279	1.667	10	40	BDCB	
COC(=O)c1cccn1-c1ccc(N)cc1	144641849	KPPPBWCKSOSENY-UHFFFAOYSA-N	216.240	1.846	10	40	BDCB	
Cc1nc(C)n(Cc2ccc(N)cc2)n1	41633107	BPEFDVRUPWOZSG-UHFFFAOYSA-N	202.261	1.525	10	40	BDCB	
Cc1cc(=O)oc2c(CN(C)C)c(O)c(O)cc12	38172080	QKMPYRYPPNUYAZ-UHFFFAOYSA-N	249.266	1.574	10	40	BDCB	
CN(C)c1ccc([C@H]2NNC(=S)S2)cc1	114507	DTBZIQGOUGFDHF-VIFPVBQESA-N	239.369	1.877	10	40	BDCB	
Cc1ccc(O)c(CNn2cnnc2)c1	793989	SUTGFXIBJROFQY-UHFFFAOYSA-N	204.233	1.036	10	40	BDCB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)O)C(=O)C2=O	100319420	MFGSQXUNSUJWPZ-GHMZBOCLSA-N	210.229	1.036	10	40	BDCB	
NN1C(=O)/C(=C\c2cccs2)SC1=S	4815436	AKGLQVRMOUEOTF-GQCTYLIASA-N	242.350	1.823	10	40	BDCB	
[N-]=[N+]=NCC(=O)Nc1cccnc1Cl	104702103	RDFFFVGQUGIHHX-UHFFFAOYSA-N	211.612	1.984	10	40	BDCB	
CNCCCNCc1ccc(N(C)C)cc1	6871653	PJFOSRQYSWQACH-UHFFFAOYSA-N	221.348	1.452	10	40	BDCB	
COc1ccc(N2CCN(C[C@H]3CO3)CC2)cc1	19389920	PEFZLLLLBQLROG-AWEZNQCLSA-N	248.326	1.216	10	40	BDCB	
CCOC(=O)c1nc[nH]c1/N=N\N(C)C	101392233	MXJFBGXKWACYNQ-QXMHVHEDSA-N	211.225	1.147	10	40	BDCB	
O=C1/C(=C/c2ccco2)SC(=S)N1CO	3095157	QHKIZKPSRMCYKI-DAXSKMNVSA-N	241.293	1.431	10	40	BDCB	
O=C1CC(=O)N(c2ccc(F)c(Cl)c2)N1	239300	MDTUDQCPFLGMGP-UHFFFAOYSA-N	228.610	1.247	10	40	BDCB	
Nc1ccc(OCc2ncccn2)cc1	54458129	FSGVYLPZKJIVSK-UHFFFAOYSA-N	201.229	1.638	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N=[N+]=[N-])C1	39187650	KWVWELPTVBBQLJ-HTQZYQBOSA-N	242.279	1.667	10	40	BDCB	
O=Cc1ccc(O)c(CN2CCOCC2)c1	19913879	MGYKKHCIAHJEHG-UHFFFAOYSA-N	221.256	1.037	10	40	BDCB	
CO[C@H]1O[C@@H](CN=[N+]=[N-])[C@H]2OC(C)(C)O[C@@H]12	5066639	UBIJKPHBWCBYHF-OSMVPFSASA-N	229.236	1.188	10	40	BDCB	
C[C@H](N)c1ccc(N2CCN(C)CC2)c(F)c1	19872020	ADKKOBXDYXKTOY-JTQLQIEISA-N	237.322	1.597	10	40	BDCB	in-vitro
NN1C(=O)/C(=C/c2ccccc2)SC1=S	1083142	RADJDINPADSTBJ-VURMDHGXSA-N	236.321	1.762	10	40	BDCB	
CC(C)(/N=N\C(C)(C)C(=O)O)C(=O)O	104203687	VBZBISQOWJYWCC-KTKRTIGZSA-N	202.210	1.165	10	40	BDCB	
CCCCN(C)/N=N\c1nc[nH]c1C(N)=O	104392932	MNYIKAMATCANTQ-YPKPFQOOSA-N	224.268	1.239	10	40	BDCB	
CCOc1ccc(N2CC[C@@H](O)C2)cc1	72206494	CFGHERCRLKYURJ-LLVKDONJSA-N	207.273	1.656	10	40	BDCB	
CCn1nccc1C(=O)Nc1ccc(N)cc1	2786399	WHDYJRPIDRNQLQ-UHFFFAOYSA-N	230.271	1.738	10	40	BDCB	
Oc1ccc(Cl)cc1CNn1cnnc1	793986	DXHHDPYDOJGYAV-UHFFFAOYSA-N	224.651	1.381	10	40	BDCB	
CCCc1cc(C=S(C)(C)=O)ncn1	218795545	FPOBUUJEQZNLTH-UHFFFAOYSA-N	212.318	1.123	10	40	BDCB	
O=C(O)c1cccc(/N=N/N2CCOCC2)c1	82290	FJOJMDRFIZQWIZ-OUKQBFOZSA-N	235.243	1.716	10	40	BDCB	
N=C1NC(=O)/C(=C/c2ccc(O)c(O)c2)S1	3029861	UEVUNOBBEYCBJU-YWEYNIOJSA-N	236.252	1.236	10	40	BDCB	
Nc1ccc(CCC(=O)NC[C@H]2CCCO2)cc1	20186532	RLZPBQCYKVKICM-CYBMUJFWSA-N	248.326	1.497	10	40	BDCB	
CNCc1cc2c3c(c1O)CCCN3CCC2	96517092	LLBAAYVLTIGUOX-UHFFFAOYSA-N	232.327	1.810	10	40	BDCB	
Nc1ccc(CC(=O)N2CCSCC2)cc1	20256780	DCWXHWAAVQCEDD-UHFFFAOYSA-N	236.340	1.387	10	40	BDCB	in-vitro
CC(C)c1[nH]nc(C(N)=O)c1/N=N\N(C)C	104119231	CZBJUVCJXXZKSJ-YPKPFQOOSA-N	224.268	1.192	10	40	BDCB	
CCn1c(C)cc(/C=C2/NC(=S)NC2=O)c1C	409073422	YSNQOYMLLPZGME-UXBLZVDNSA-N	249.339	1.470	10	40	BDCB	
CC(C)CC=C1C(=O)N(C)C(=O)N(C)C1=O	1714779	SCGZZFRZQDYTNT-UHFFFAOYSA-N	224.260	1.009	10	40	BDCB	
CC(C)(C)OC(=O)C(=O)C(=O)c1ccccc1	2506564	OGOSCLCPPONYIY-UHFFFAOYSA-N	234.251	1.780	10	40	BDCB	
Cc1cc(O)c(CN2CCOCC2)cc1C	33029234	AOXCBRQKKRUDBF-UHFFFAOYSA-N	221.300	1.841	10	40	BDCB	
[O-][n+]1onc2cc(Cl)c(Cl)cc21	510064	RJNNGGZKQVUQPO-UHFFFAOYSA-N	205.000	1.768	10	40	BDCB	
N[C@H]1CCCN(Cc2ccccc2O)C1	38539476	JXYXDWHJIBGHSV-NSHDSACASA-N	206.289	1.315	10	40	BDCB	
CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	20551008	IJNDITLNFKBOTC-JTQLQIEISA-N	238.306	1.943	10	40	BDCB	
Nc1ccc(CC(=O)Nc2cccnc2)cc1	22144288	PDSBVPVFRUYTSE-UHFFFAOYSA-N	227.267	1.845	10	40	BDCB	
COC(=O)c1ccc(O)c(CNCC2CC2)c1	96530249	YQLVLAHYZNCOFZ-UHFFFAOYSA-N	235.283	1.678	10	40	BDCB	
CCCCNC(=O)Cc1ccc(N)cc1	19385158	HWDNLZWWXMGJPH-UHFFFAOYSA-N	206.289	1.728	10	40	BDCB	
CS(=O)(=O)Nc1ccc(O)c(Cl)c1	3077159	KFHCRGQSDAWNLS-UHFFFAOYSA-N	221.665	1.417	10	40	BDCB	
CC1=NNC(=O)/C1=C\NCc1ccc(Cl)cc1	100151383	XVOXUDXWNRRETM-XFFZJAGNSA-N	249.701	1.819	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@@H](N=[N+]=[N-])[C@@H](O)C1	78503007	FJCGXBAKIMNIDC-SFYZADRCSA-N	242.279	1.667	10	40	BDCB	
Nc1n[nH]c(N)c1/N=N\c1ccc(O)cc1	100424605	AYZRKFOEZQBUEA-SEYXRHQNSA-N	218.220	1.695	10	40	BDCB	in-vitro
Nc1ccc(CC(=O)NC2CCCC2)cc1	20154961	VEYFMTLLVNDRFD-UHFFFAOYSA-N	218.300	1.870	10	40	BDCB	
CCOC(=O)c1nnc(Cc2ccc(N)cc2)o1	217688871	BTFDBIXRRFAXCL-UHFFFAOYSA-N	247.254	1.419	10	40	BDCB	
CCCCOC(=O)c1nc[nH]c1/N=N/N(C)C	18031983	ZPCAGCXFSKUPRF-BUHFOSPRSA-N	239.279	1.927	10	40	BDCB	
CCOC(=O)c1nc[nH]c1/N=N/N(C)C	17379366	MXJFBGXKWACYNQ-VAWYXSNFSA-N	211.225	1.147	10	40	BDCB	
CCCNC(=O)/C=C/c1ccc(O)c(O)c1	39098433	RUEAFFGYGBHHJS-GQCTYLIASA-N	221.256	1.637	10	40	BDCB	
COc1ccc(N2CCC(O)CC2)cc1	41215983	BENHMVFQAQIQEL-UHFFFAOYSA-N	207.273	1.656	10	40	BDCB	in-vitro
Nc1nc(/N=N\c2ccc(O)cc2)cc(=O)[nH]1	17022570	REZVRJZHTFIXDK-PFONDFGASA-N	231.215	1.473	10	40	BDCB	
Cc1cn(C)nc1NCc1ccc(O)cc1O	256054049	UTBMTRKZCBKQSE-UHFFFAOYSA-N	233.271	1.752	10	40	BDCB	
Nc1ncccc1OCc1ccncc1	26516968	RFQHCARUUPPPKT-UHFFFAOYSA-N	201.229	1.638	10	40	BDCB	in-vitro
COC(=O)[C@@H]1CCCN1c1ccc(CN)cc1	26896330	FGNIMXHNQWVDJE-LBPRGKRZSA-N	234.299	1.287	10	40	BDCB	
Nc1ccc(Nc2ccc(CO)cn2)cc1	70453864	WOUGPLGXBNLEOH-UHFFFAOYSA-N	215.256	1.900	10	40	BDCB	
COc1ccnc(N(C)Cc2ccccc2O)n1	89635356	VJUJGVQALGIQHK-UHFFFAOYSA-N	245.282	1.827	10	40	BDCB	
CN(C)Cc1cc(O)c(CN(C)C)cc1O	133303	QAPHUXJGSNSWPK-UHFFFAOYSA-N	224.304	1.221	10	40	BDCB	
CCCC(=O)NC(=S)Nc1ccc(N)cc1	569848	PHZFLJORADIXLK-UHFFFAOYSA-N	237.328	1.882	10	40	BDCB	
Nc1cc2c(cc1N1CCCCC1)OCO2	32500114	JBZVWOQMKZPCOV-UHFFFAOYSA-N	220.272	1.988	10	40	BDCB	
CN(C)C(=O)[C@@H]1CCCN1c1ccc(N)cc1	36132155	JBOINVRMADICHV-LBPRGKRZSA-N	233.315	1.326	10	40	BDCB	
[N-]=[N+]=NC[C@@H](OC(=O)c1ccccc1)C(=O)O	12650510	VLDOQDQFTOPSBS-MRVPVSSYSA-N	235.199	1.607	10	40	BDCB	
CN(C)c1ccc(CNCc2ccnn2C)cc1	20351278	RWWSXEDWSLGEOE-UHFFFAOYSA-N	244.342	1.776	10	40	BDCB	
[N-]=[N+]=NCC(=O)Nc1ccc2c(c1)OCO2	100021972	KTAGRQPCBGVHPL-UHFFFAOYSA-N	220.188	1.664	10	40	BDCB	in-vitro
CC(=O)Nc1ccc(C(=O)C(C)=O)cc1	1562448	VLXQKWMZJCVETR-UHFFFAOYSA-N	205.213	1.417	10	40	BDCB	
Nc1ccc(OCC(=O)OCC(F)(F)F)cc1	20155085	KLHZVWSWFYVMNR-UHFFFAOYSA-N	249.188	1.753	10	40	BDCB	
O=C(O)CC(=S)CC(=S)CC(=O)O	98073412	JOVPKPOJLMYPFW-UHFFFAOYSA-N	220.271	1.066	10	40	BDCB	
Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1C	409127333	PMOLSVCQQYIYJM-POHAHGRESA-N	249.339	1.329	10	40	BDCB	
COc1ccc(N2CCOCC2)c(C=O)c1	8702890	HRCQXLOCTXITOF-UHFFFAOYSA-N	221.256	1.344	10	40	BDCB	
Oc1c(CN2CCOCC2)ccc2cccnc12	24171425	MNLWSYVFKKLRKO-UHFFFAOYSA-N	244.294	1.773	10	40	BDCB	
COC(=O)C(/N=N/c1ccccc1)C(=O)OC	97966196	DTFANOSSFWJKDZ-OUKQBFOZSA-N	236.227	1.485	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](N=[N+]=[N-])C1	78502979	KWVWELPTVBBQLJ-YUMQZZPRSA-N	242.279	1.667	10	40	BDCB	
NC(=O)c1nc(/N=N\c2ccccc2)[nH]c1N	104203381	REGGLIYWYURHMT-NXVVXOECSA-N	230.231	1.506	10	40	BDCB	
N[C@H](CC(=O)O)c1ccc(N2CCCC2)cc1	44220162	KHNJCBTXZJYHOR-GFCCVEGCSA-N	234.299	1.761	10	40	BDCB	
CC(C)NC(=O)Cc1nnc2ccccc2n1	16575442	WBDMTVZUTPDLCC-UHFFFAOYSA-N	230.271	1.092	10	40	BDCB	
CN(C)c1ccc(C=C(C(=O)O)C(=O)O)cc1	1625458	SNUJAOPSQUVSPM-UHFFFAOYSA-N	235.239	1.305	10	40	BDCB	
O=C(NC1=NN(c2ccccc2)C(=O)C1)C1CC1	6475500	LQTZFCMLEMHVOP-UHFFFAOYSA-N	243.266	1.263	10	40	BDCB	
NNc1nc(-c2ccc(O)c(O)c2)cs1	368474	QXRBRUTXADCWTH-UHFFFAOYSA-N	223.257	1.507	10	40	BDCB	
CC(=O)O[C@H]1C[C@H]2C(=O)C(=O)[C@@]1(C)C2(C)C	222180713	IBRVHONNJUWZOO-UBJUHAIHSA-N	224.256	1.122	10	40	BDCB	
COc1ccc(/N=N/N2CCC(=O)N2)cc1	1395508	NHAWCNSLVLGLBW-ACCUITESSA-N	220.232	1.431	10	40	BDCB	
Nc1ccc(CC(=O)NCc2ccccn2)cc1	20185667	SMCLPYWPNCAWRP-UHFFFAOYSA-N	241.294	1.523	10	40	BDCB	
[N-]=[N+]=NCC(=O)NC(=O)Nc1ccc(F)cc1	101353340	SNBPNCOBANFZNI-UHFFFAOYSA-N	237.194	1.784	10	40	BDCB	
Cc1cc(C(=O)O)nn1-c1ccc(N)cc1	66323304	RWDKEGLJGZTOJR-UHFFFAOYSA-N	217.228	1.461	10	40	BDCB	
CCN(CC)/N=N\c1c(C(N)=O)n[nH]c1C	104127832	IQIPLPPRGBWFQI-YPKPFQOOSA-N	224.268	1.158	10	40	BDCB	
CCOc1ccc(N(C)[C@H](C)C(=O)O)cc1	259937177	FTMMURJMTZEOJU-SECBINFHSA-N	223.272	1.995	10	40	BDCB	
Nc1ccc2c(c1)C(=O)c1cccc(N)c1C2=O	4522754	UDBLWRCGYSQDGK-UHFFFAOYSA-N	238.246	1.626	10	40	BDCB	
CC(C)N1C(=O)[C@@H](CC(=O)O)SC1=S	2578619	ZTEBWNHCGWEERD-RXMQYKEDSA-N	233.314	1.098	10	40	BDCB	
NC1=NC(=O)/C(=C/c2ccc(F)cc2)S1	12410103	UBOJXIIHHKEVFB-YVMONPNESA-N	222.244	1.755	10	40	BDCB	
CC1=NNC(=O)/C1=C\NCc1ccc(C)cc1	18140608	FOZDBLTUJKOIMX-WQLSENKSSA-N	229.283	1.474	10	40	BDCB	
O=C1NN=C/C1=C\Nc1ccccc1Cl	100392067	GHGIIBIZZBWCGP-FNORWQNLSA-N	221.647	1.751	10	40	BDCB	
CN1CCCN(c2ccc(N)cc2)CC1	12370641	FMLOSYIZNDLWOM-UHFFFAOYSA-N	205.305	1.411	10	40	BDCB	in-vitro
Oc1ccc(F)c(Br)c1O	575686187	IYEKHXCNXQMKSX-UHFFFAOYSA-N	206.998	1.999	10	40	BDCB	
COc1ccc(NC(=O)CN=[N+]=[N-])c(OC)c1	100035895	UVABHEWIXTXDDS-UHFFFAOYSA-N	236.231	1.953	10	40	BDCB	
COc1ccccc1N/C=C1\C=NNC1=O	6294961	QDOXCKCEQKEWGM-SOFGYWHQSA-N	217.228	1.107	10	40	BDCB	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N=[N+]=[N-]	16696935	QMZWXYPIPIISBG-YUMQZZPRSA-N	242.279	1.931	10	40	BDCB	
CC1=NN2C(=O)C(c3ccccc3)=S=C2S1	409415729	JMJZYWDLJHETHE-UHFFFAOYSA-N	248.332	1.950	10	40	BDCB	
COc1ccc(N2C[C@H](C)O[C@H](C)C2)c(N)c1	157709374	NXDHJPXBKCRPOZ-AOOOYVTPSA-N	236.315	1.891	10	40	BDCB	
CCN(c1ccc(OC)cc1)[C@H](C)C(=O)O	260679410	LXDVRGOSDFULBB-SECBINFHSA-N	223.272	1.995	10	40	BDCB	
CN(C)c1ccc(CNC(=O)[C@H]2CCCO2)cc1	28020579	CQUFOEXVTDPUFL-CYBMUJFWSA-N	248.326	1.548	10	40	BDCB	
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1C(C)C	409049613	XGXWZFGAZBNLCF-IZZDOVSWSA-N	247.298	1.866	10	40	BDCB	
CCOc1ccc(N(C)C[C@@H](O)COC)cc1	96417906	NIZSOMWRAIYBCR-GFCCVEGCSA-N	239.315	1.529	10	40	BDCB	
O=C(O)c1cc(/N=N/c2nnc[nH]2)ccc1O	17024918	RPYASWUZCFPBJY-WYMLVPIESA-N	233.187	1.624	10	40	BDCB	
COc1ccc(N2CC[C@@H](C(=O)O)C2)cc1	20357894	HXBCDDRPFLPZKK-SECBINFHSA-N	221.256	1.606	10	40	BDCB	
COc1ccc(N2CCCN(C(C)=O)CC2)cc1	55877582	QULBSRUMDYDBDI-UHFFFAOYSA-N	248.326	1.754	10	40	BDCB	
CN(c1ccc(N)cc1)C1CCOCC1	36320420	HKYPUKKDUNCZQR-UHFFFAOYSA-N	206.289	1.884	10	40	BDCB	
CCN/C=C1\C(=O)N(c2ccccc2)N=C1C	206362370	LROWRTHCNPYDDK-XFXZXTDPSA-N	229.283	1.903	10	40	BDCB	
Cc1nc(COc2ccc(N)cc2)no1	38055847	LZGIJXXENDDPHB-UHFFFAOYSA-N	205.217	1.539	10	40	BDCB	in-vitro
CN(C)c1ccc(CN2CC[C@@H](N)C2)cc1	50227789	IBZNDVIRLXAXIZ-GFCCVEGCSA-N	219.332	1.286	10	40	BDCB	
CC1(C)O[C@]1(C(=O)C=[N+]=[N-])c1ccccc1	5568119	AQKKPKBPKDHCHF-LBPRGKRZSA-N	216.240	1.560	10	40	BDCB	
O=C1c2ccccc2C(=O)c2ncccc21	1564306	XPHIPZFRUPJGRX-UHFFFAOYSA-N	209.204	1.857	10	40	BDCB	
CNCc1cccc(Br)c1O	42303347	MMNVLVQNACCDJS-UHFFFAOYSA-N	216.078	1.874	10	40	BDCB	in-vitro
CCCCN(C)/N=N/c1c(C)n[nH]c1C(N)=O	17969573	LXWKKMNTPFEUOO-CCEZHUSRSA-N	238.295	1.548	10	40	BDCB	
COC(=O)[C@@H](/N=N\c1ccccc1)C(C)=O	104105444	NMEVLBPEHAMGJL-AGKQBQDBSA-N	220.228	1.901	10	40	BDCB	
Oc1ccccc1CNC[C@@H]1CCCO1	819558	XCYNNUVNWMBQHV-NSHDSACASA-N	207.273	1.661	10	40	BDCB	in-vitro
[N-]=[N+]=CC(=O)O[C@H]1CCc2ccccc21	73257540	PLOZLBFNVLSYNM-JTQLQIEISA-N	202.213	1.518	10	40	BDCB	
O=C1NN=C/C1=C\Nc1cccc(Cl)c1	3210178	HJQFYYMBZYCGBG-FNORWQNLSA-N	221.647	1.751	10	40	BDCB	
Nc1ccc(-n2ccc(O)cc2=O)cc1	685936137	GSUFLZPBVFJISH-UHFFFAOYSA-N	202.213	1.125	10	40	BDCB	
COC(=O)[C@H](/N=N/c1ccccc1)C(C)=O	104105458	NMEVLBPEHAMGJL-LRZCVGBLSA-N	220.228	1.901	10	40	BDCB	
COC(=O)c1cn(-c2ccc(N)cc2)cn1	72221343	FKPHOPMSVJRJRJ-UHFFFAOYSA-N	217.228	1.241	10	40	BDCB	
CC[C@@H](C(=O)O)N(C)c1ccc(OC)cc1	224997653	AONKEZGFBSQHCV-NSHDSACASA-N	223.272	1.995	10	40	BDCB	
CN(C)c1ccc(CNCc2cnn(C)c2)cc1	12395340	ULZDVPKLFLKALC-UHFFFAOYSA-N	244.342	1.776	10	40	BDCB	
COC[C@@H](C)OC(=O)COc1ccc(N)cc1	20155092	UKAVRWKGPYMVAY-SECBINFHSA-N	239.271	1.226	10	40	BDCB	
Cc1cnn(C)c1NCc1ccc(O)cc1O	256051201	ICWKFNFPDNOAHG-UHFFFAOYSA-N	233.271	1.752	10	40	BDCB	
COCCN1CCN(c2ccc(N)cc2)CC1	11756038	LZYIXSDJJBZCEM-UHFFFAOYSA-N	235.331	1.037	10	40	BDCB	
CCOC(=O)/C(=C\O)NC(=O)c1ccccc1	104261376	ORZMQZRBRRYWDI-CSKARUKUSA-N	235.239	1.379	10	40	BDCB	
Nc1ccc(N2CCCC[C@H]2CO)cc1	58641175	VVLRASGCTQMFFU-LBPRGKRZSA-N	206.289	1.620	10	40	BDCB	
CCc1nc2c([nH]1)C(=O)c1ccccc1C2=O	1653223	BDRALAFPLKRVJQ-UHFFFAOYSA-N	226.235	1.748	10	40	BDCB	
CCCNC(=O)COc1ccc(N)cc1	9239344	XHBKDCRXIAMMNO-UHFFFAOYSA-N	208.261	1.174	10	40	BDCB	
Nc1ccc(Cn2nc(Cl)ccc2=O)cc1	61722199	ULVMJBNCXUDJEL-UHFFFAOYSA-N	235.674	1.527	10	40	BDCB	
[N-]=[N+]=NCC(=O)N1CCN(c2ccccc2)CC1	95807881	QTEXQDDJTRPAJU-UHFFFAOYSA-N	245.286	1.646	10	40	BDCB	
CCN(CCC(N)=O)c1ccc(OC)cc1	24793609	HHCFJOJYAFHDKM-UHFFFAOYSA-N	222.288	1.397	10	40	BDCB	
Nc1ccc(CN2C(=O)[C@H]3CCCN3C2=O)cc1	4343397	UZKMXLCYYHVHRC-LLVKDONJSA-N	245.282	1.195	10	40	BDCB	
CC1=NNC(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	16161066	SZKKKBXIXDHMHB-POHAHGRESA-N	231.211	1.484	10	40	BDCB	
CNC(=O)C1CCN(c2ccc(N)cc2)CC1	33464910	DQJZKZZAGBCISG-UHFFFAOYSA-N	233.315	1.231	10	40	BDCB	
Nc1ccc(OCC(=O)NCc2ccco2)cc1	20155146	UZUJUERGQNRXEM-UHFFFAOYSA-N	246.266	1.557	10	40	BDCB	
Nc1ccc(N2CCC(CO)CC2)cc1	57363663	PWSBNCURYURIJU-UHFFFAOYSA-N	206.289	1.478	10	40	BDCB	
Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	20157029	UTTNQGIDXBLDRL-SNVBAGLBSA-N	206.245	1.386	10	40	BDCB	in-vitro
CC(=O)NCCCCOc1ccc(N)cc1	1750793	ZGRYVCUSDHAELL-UHFFFAOYSA-N	222.288	1.564	10	40	BDCB	
CC(C)COC1=C([C@H](C)O)C=N[S@](C)(=O)=C1	218809798	ROSUDCFDQQPQBZ-XXFAHNHDSA-N	245.344	1.010	10	40	BDCB	
CC[C@H](C)NCC(=O)c1ccc(O)c(O)c1	78914438	YQKWKIDGEIMBEB-QMMMGPOBSA-N	223.272	1.669	10	40	BDCB	
CONC(=O)c1ccccc1/N=N/N(C)C	18083511	HAKPPHGNXHAIBW-ACCUITESSA-N	222.248	1.538	10	40	BDCB	
CC(=O)N(Cc1ccc(N)cc1)C1CC1	35365857	IEPOBFDKNOZEHK-UHFFFAOYSA-N	204.273	1.780	10	40	BDCB	in-vitro
Nc1ccc(-n2nncc2C(F)(F)F)cc1	47844169	MJKHUEPKVZUTOB-UHFFFAOYSA-N	228.177	1.868	10	40	BDCB	in-vitro
CC(C)NS(=O)(=O)Cc1ccc(N)cc1	21046334	YHOGRHPIAMIQLY-UHFFFAOYSA-N	228.317	1.097	10	40	BDCB	in-vitro
O=C(NCCc1ccc(O)c(O)c1)C1CC1	6321013	QRCAPINFFWAXGZ-UHFFFAOYSA-N	221.256	1.167	10	40	BDCB	
CC1(C)OC(=O)C(=Cc2ccccc2)C(=O)O1	1390811	GMOOBZIVAQBVQK-UHFFFAOYSA-N	232.235	1.906	10	40	BDCB	
Nc1ccc(Cc2nn3cnnc3s2)cc1	62719914	JUXYPYLIGBVKEJ-UHFFFAOYSA-N	231.284	1.359	10	40	BDCB	
NNc1ccc2c(c1)C(=O)c1ccccc1C2=O	6576270	KHHOJRZXBARJGS-UHFFFAOYSA-N	238.246	1.748	10	40	BDCB	
Cc1nnc(COc2ccc(N)cc2)o1	38055850	MGVPSGWCYWTPRM-UHFFFAOYSA-N	205.217	1.539	10	40	BDCB	
Cn1nccc1CNCc1ccc(O)cc1O	20352577	RZTVIMCFIKXJLE-UHFFFAOYSA-N	233.271	1.121	10	40	BDCB	
CN(C)C(=O)Cn1ccc2cc(N)ccc21	36949982	DTDDBXVRHQWLJH-UHFFFAOYSA-N	217.272	1.312	10	40	BDCB	in-vitro
CCN[C@H](C)[C@@H](O)c1ccc(O)c(O)c1	1999315	OHDICGSRVLBVLC-RDDDGLTNSA-N	211.261	1.129	10	40	BDCB	in-man
Cn1ccc(NCc2ccccc2O)n1	20352745	WLGWOJCKVXIUNI-UHFFFAOYSA-N	203.245	1.738	10	40	BDCB	
Nc1sccc1C(=O)c1ccncc1	75491442	PYZDOOQBDCYVPE-UHFFFAOYSA-N	204.254	1.956	10	40	BDCB	
CCNC(=O)N1CCOc2cc(N(C)C)ccc21	95409252	CJIWHZDBSTYLHE-UHFFFAOYSA-N	249.314	1.681	10	40	BDCB	
COc1cccc(CN2CCC[C@H](N)C2)c1O	41027815	KXMNDJNOTWKSQQ-NSHDSACASA-N	236.315	1.324	10	40	BDCB	
CCOC(=O)CSc1nccs1	40418570	LEMBTFLKBWNQMX-UHFFFAOYSA-N	203.288	1.798	10	40	BDCB	
Cn1cc(NCc2ccccc2O)cn1	20352747	CHCDROABWWTQIA-UHFFFAOYSA-N	203.245	1.738	10	40	BDCB	
CS(C)(=O)=Cc1ncnc2ccccc12	218781503	GMMIPEWIINPIPQ-UHFFFAOYSA-N	220.297	1.324	10	40	BDCB	
O=[N+]([O-])c1cnc(Sc2ccncn2)s1	1570386	SPNKLYOUOJJHBK-UHFFFAOYSA-N	240.269	1.993	10	40	BDCB	
O=C1NN=C/C1=C\Nc1ccc([N+](=O)[O-])cc1	4053585	WKZRCOKBOUFSBS-FNORWQNLSA-N	232.199	1.006	10	40	BDCB	
Cc1nc(N)sc1-c1csc(NN)n1	4245270	JPEHMZYVJRJJFV-UHFFFAOYSA-N	227.318	1.443	10	40	BDCB	
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@H](O)C1	32098835	CSWBTQKOSPXYIE-NKWVEPMBSA-N	228.252	1.277	10	40	BDCB	
O=C1C(=O)C2[C@H]3C=C[C@H]4C3C3[C@@H](C=C[C@@H]23)C14	100940699	OLGOWVHNDGMLKK-PHVHJKITSA-N	212.248	1.235	10	40	BDCB	
CS(=O)(=O)Nc1ccc(O)c2ccccc12	5234894	YIHVEMGCWOYDLG-UHFFFAOYSA-N	237.280	1.917	10	40	BDCB	
CN1CCN(c2ccc3c(c2)CCN3C)CC1	82713146	JHZALKSPXZUPOP-UHFFFAOYSA-N	231.343	1.431	10	40	BDCB	
O=C1c2ccccc2C(=O)[C@]23O[C@]12[C@@H]1C=C[C@H]3C1	45070944	LMLDBOKXWROXSX-NWQDQBDJSA-N	238.242	1.779	10	40	BDCB	
Cc1cc(N)ccc1N1C(=O)CCC1=O	8703478	LRJIDSGEYCYJHT-UHFFFAOYSA-N	204.229	1.231	10	40	BDCB	in-vitro
Nc1ccc(Oc2ccc3nncn3n2)cc1	44920597	WBRAJIHRVONSLR-UHFFFAOYSA-N	227.227	1.499	10	40	BDCB	
Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	100940129	AJRWOGFXRKTRBR-VXGBXAGGSA-N	242.278	1.724	10	40	BDCB	
Nc1ccc(N2CCCC[C@@H]2CO)cc1	58641173	VVLRASGCTQMFFU-GFCCVEGCSA-N	206.289	1.620	10	40	BDCB	
COc1cc2c(cc1OC)/C(=C/O)C(=O)N2	104031983	XOUNQQLPICQYHG-ALCCZGGFSA-N	221.212	1.555	10	40	BDCB	
CC(=O)N1CCc2cc(N3CCOCC3)ccc21	41121887	QEYDMGRVAUIQPE-UHFFFAOYSA-N	246.310	1.432	10	40	BDCB	
CNC(=O)[C@H]1CCCN(c2ccc(CN)cc2)C1	232278199	GDVUSTNPJIRKNM-LBPRGKRZSA-N	247.342	1.108	10	40	BDCB	
O=C1c2cccnc2C(=O)c2c(O)ccc(O)c21	1667973	AFDMGIUNNDWCBX-UHFFFAOYSA-N	241.202	1.268	10	40	BDCB	
O=Cc1cc(O)c(O)cc1Br	13379431	JXHKKMRNIFLPBR-UHFFFAOYSA-N	217.018	1.673	10	40	BDCB	
CCn1nccc1CNCc1ccc(O)cc1O	20352578	JMPGPCUHANGTDM-UHFFFAOYSA-N	247.298	1.604	10	40	BDCB	
CN(C)/N=N\c1ccc(S(=O)(=O)O)cc1	108327142	QEVNEOGSQSBJIZ-KTKRTIGZSA-N	229.261	1.494	10	40	BDCB	
Cc1ccc(CNC(=O)CN=[N+]=[N-])cc1	102917921	CUDMCYVIXMQWFJ-UHFFFAOYSA-N	204.233	1.922	10	40	BDCB	
CC(C)(C)NC(=O)COc1ccc(N)cc1	20155110	DEUBKKYVKMCLLU-UHFFFAOYSA-N	222.288	1.562	10	40	BDCB	
CCOCCOC(=O)Cc1ccc(N)cc1	41043724	KQVWFGDANRZDLJ-UHFFFAOYSA-N	223.272	1.391	10	40	BDCB	
CCOc1ccc(N(C)C[C@H](O)COC)cc1	96417905	NIZSOMWRAIYBCR-LBPRGKRZSA-N	239.315	1.529	10	40	BDCB	
COc1ccc(N2CC[C@H](CO)C2)cc1	11892962	PFJUHUNKVLCGRR-JTQLQIEISA-N	207.273	1.514	10	40	BDCB	in-vitro
Nc1ccc2c(c1)C(=O)c1cc(N)ccc1C2=O	31483469	KJNHYKBXQOSFJR-UHFFFAOYSA-N	238.246	1.626	10	40	BDCB	in-vivo
COC(=O)c1ccc(/N=N/N(C)CO)cc1	17968628	BLAFWWCVPZFQTO-VAWYXSNFSA-N	223.232	1.354	10	40	BDCB	
COc1ccc([C@H](O)[C@H](N=[N+]=[N-])C(=O)O)cc1	100638075	MSVJCKMPSJGBAQ-IUCAKERBSA-N	237.215	1.492	10	40	BDCB	
COc1ccc(Br)c(CN)c1O	90530381	PVMRMKAUSRVMCT-UHFFFAOYSA-N	232.077	1.622	10	40	BDCB	
CCc1[nH]c2ccccc2[n+]1C(=O)CCC(=O)O	6224988	JIAWJBJHVBSEBC-UHFFFAOYSA-O	247.274	1.523	10	40	BDCB	
CC[C@H]1SC(=S)N(CCC(=O)O)C1=O	4745885	CGLNAFSCGNLITI-RXMQYKEDSA-N	233.314	1.100	10	40	BDCB	
CC[C@H](C(=O)O)N(C)c1ccc(OC)cc1	224997701	AONKEZGFBSQHCV-LLVKDONJSA-N	223.272	1.995	10	40	BDCB	
Oc1ccc(/N=N/c2nn[nH]n2)c(O)c1	6505548	SHNXCVXUYAEVNC-CMDGGOBGSA-N	206.165	1.026	10	40	BDCB	
NCc1cc2c3c(c1)CCCN3CCC2	4707763	ANYIDUGXCDMMJR-UHFFFAOYSA-N	202.301	1.844	10	40	BDCB	in-vitro
N=C1/C(=C/c2ccco2)C(=O)N=C2SC=NN12	465802	MMHFYPMTJVTSIU-URBZRCENSA-N	246.251	1.529	10	40	BDCB	
CN1C(=O)N=C(O)/C(=C\c2ccc(F)cc2)C1=O	8994076	QSEKERIULRAYHL-RMKNXTFCSA-N	248.213	1.758	10	40	BDCB	
CC(C)=C1SC(=S)N(CO)C1=O	32231271	CRPSDSUEWAOHKV-UHFFFAOYSA-N	203.288	1.090	10	40	BDCB	
COC[C@H](C)OC(=O)COc1ccc(N)cc1	20155094	UKAVRWKGPYMVAY-VIFPVBQESA-N	239.271	1.226	10	40	BDCB	
[N-]=[N+]=NC1=NS(=O)(=O)c2ccccc21	4721730	SYDQBNDAILEERM-UHFFFAOYSA-N	208.202	1.446	10	40	BDCB	
Nc1ccc(Cc2nnc3ccccn23)cc1	19503156	KPQBQKDBTBBUKO-UHFFFAOYSA-N	224.267	1.902	10	40	BDCB	in-vitro
COC(=O)c1sc(-n2cccn2)cc1O	12394575	UQUBVSSBJVKZNS-UHFFFAOYSA-N	224.241	1.426	10	40	BDCB	
CC(C)(C)OC(=O)C[C@@H](N=[N+]=[N-])C(=O)O	100214585	FNIVRLAVVDBWQZ-RXMQYKEDSA-N	215.209	1.482	10	40	BDCB	
CN(C)c1ccc([C@@H](CN)N2CCOCC2)cc1	19201658	SBMPCTJRUNJPHO-CQSZACIVSA-N	249.358	1.085	10	40	BDCB	
COC(=O)c1sc2cccnc2c1O	52537269	XHUQSLOQAMJFNH-UHFFFAOYSA-N	209.226	1.789	10	40	BDCB	
C[C@H]1CN(c2ccc(CN)cc2F)C[C@H](C)O1	20469588	RQXUTJPPGWZYLD-UWVGGRQHSA-N	238.306	1.898	10	40	BDCB	in-vitro
O=C(O)c1c(O)c(O)cc2ccccc12	1648150	WZPLEIAOQJXZJX-UHFFFAOYSA-N	204.181	1.949	10	40	BDCB	
CC1=NNC(=O)/C1=C/Nc1ccccc1	13285696	MMCABCIWACLBDT-JXMROGBWSA-N	201.229	1.488	10	40	BDCB	
COC[C@H](O)CNc1ccccc1OC	792395	JKJOHPWKFVWNEG-SECBINFHSA-N	211.261	1.114	10	40	BDCB	
CCS(=O)(=O)Nc1ccc(O)c(Cl)c1	3074344	HMSLEFGWKOUVEN-UHFFFAOYSA-N	235.692	1.807	10	40	BDCB	
Oc1ccc([C@H](O)[C@H]2CCCCN2)cc1O	1565245	IYMMESGOJVNCKV-SKDRFNHKSA-N	223.272	1.273	10	40	BDCB	biogenic,in-man
N[C@@H]1CCCN(Cc2ccccc2O)C1	38539472	JXYXDWHJIBGHSV-LLVKDONJSA-N	206.289	1.315	10	40	BDCB	
CCc1cc(C=S(C)(C)=O)nc(C)n1	218794321	ADCZRMSEGPCLJT-UHFFFAOYSA-N	212.318	1.042	10	40	BDCB	
Cc1cc(N(C)C)ccc1[C@@H](N)C(=O)O	199809547	DWWZZVOXIHISMP-SNVBAGLBSA-N	208.261	1.145	10	40	BDCB	
Oc1cc2nc(C(F)(F)F)[nH]c2cc1O	1857793483	UCLVZXHCCLUCCY-UHFFFAOYSA-N	218.134	1.993	10	40	BDCB	
CNC1CCN(c2ccc(OC)cc2)CC1	37240144	LVMISVZPIAWPIG-UHFFFAOYSA-N	220.316	1.883	10	40	BDCB	
Oc1ccc2ccncc2c1CN1CCOCC1	28900246	XZLSMAUJMGCHJA-UHFFFAOYSA-N	244.294	1.773	10	40	BDCB	
COCCOC(=O)Cc1ccc(N)cc1	20154909	HRXMCTSJBJLDNJ-UHFFFAOYSA-N	209.245	1.001	10	40	BDCB	
Oc1ccc([C@@H](O)[C@@H]2CCCCN2)cc1O	1565247	IYMMESGOJVNCKV-JOYOIKCWSA-N	223.272	1.273	10	40	BDCB	biogenic,world
CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H]2OC(C)(C)O[C@@H]12	5066646	UBIJKPHBWCBYHF-CWKFCGSDSA-N	229.236	1.188	10	40	BDCB	
CCS(=O)(=O)Nc1ccc(O)cc1C	11566505	JWLNBNLFWOCVON-UHFFFAOYSA-N	215.274	1.462	10	40	BDCB	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)O1	20154956	MGSJYCNPVNAWPJ-QWRGUYRKSA-N	248.326	1.447	10	40	BDCB	
CCOC(=O)c1cnn(-c2ccc(N)cc2)c1C	111803	ZYALVCIJPGMKHB-UHFFFAOYSA-N	245.282	1.940	10	40	BDCB	
COCCSc1cc(O)c(C(=O)OC)s1	96510938	ZGDQHNWEZJMDQQ-UHFFFAOYSA-N	248.325	1.979	10	40	BDCB	
Nc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1	16051230	MUDXKPHUGKQTPE-FOCLMDBBSA-N	230.231	1.350	10	40	BDCB	
C=c1cc2c(cc1=C)C(=O)c1ccccc1C2=O	5551626	HBBIJORDXWCIQY-UHFFFAOYSA-N	234.254	1.283	10	40	BDCB	
Cc1[nH]nc(C(=O)OC(C)C)c1/N=N/N(C)C	18030712	IAWKFPLTLIRJLZ-BUHFOSPRSA-N	239.279	1.844	10	40	BDCB	
Cc1nn(C)cc1CNCc1ccccc1O	20352494	AKRFTGJJGBAHRF-UHFFFAOYSA-N	231.299	1.724	10	40	BDCB	
COc1ccc(N2[C@H](C)CNC[C@H]2C)cc1	11632714	APOTUCYXIRNTPU-GHMZBOCLSA-N	220.316	1.882	10	40	BDCB	
COc1ccc(N2CCN(C[C@@H]3CO3)CC2)cc1	19389918	PEFZLLLLBQLROG-CQSZACIVSA-N	248.326	1.216	10	40	BDCB	
CNC[C@H](SC)c1ccc(O)c(O)c1	1671213	UJNDNLPDAZMWKI-JTQLQIEISA-N	213.302	1.721	10	40	BDCB	in-vitro
CN(C)C(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C	36644018	CGLPZKCORWVQRG-OLZOCXBDSA-N	237.299	1.039	10	40	BDCB	
CC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O	1542984397	YVTWABJVKYDHGY-ZETCQYMHSA-N	214.225	1.056	10	40	BDCB	
C[C@@]12CC[C@@H](C(=O)C1=O)[C@]2(C)CC(=O)O	242592224	ONAMPECMKOSVMX-FZYJTZEISA-N	210.229	1.036	10	40	BDCB	
CC[C@@H]1SC(=S)N(CCC(=O)O)C1=O	4745887	CGLNAFSCGNLITI-YFKPBYRVSA-N	233.314	1.100	10	40	BDCB	
COc1cccc(N/C=C2/C=NNC2=O)c1	95921836	QKRRCXXUXVTIRA-VURMDHGXSA-N	217.228	1.107	10	40	BDCB	
Cc1nnc(CN(C)c2ccc3c(c2)OCO3)o1	95440751	JINYOSXUEBSXLM-UHFFFAOYSA-N	247.254	1.743	10	40	BDCB	
COC(=O)[C@@H](/N=N/c1ccccc1)C(C)=O	104105449	NMEVLBPEHAMGJL-ZFEMDRMUSA-N	220.228	1.901	10	40	BDCB	
Cc1cc(CNS(C)(=O)=O)ccc1N(C)C	71924092	PEGBSWFBPQQQIX-UHFFFAOYSA-N	242.344	1.110	10	40	BDCB	
CC(C)(C)c1ccc(O)c(CNCCO)c1	1706327	VZRUUURGBKLZGH-UHFFFAOYSA-N	223.316	1.772	10	40	BDCB	
COc1ccc(N/C=C2\C=NNC2=O)cc1	100363662	KJEBLRAXKOYFBR-SOFGYWHQSA-N	217.228	1.107	10	40	BDCB	
O=C1C(=C2CCCC2)SC(=S)N1CO	40541596	GJMGETAHFVRNQC-UHFFFAOYSA-N	229.326	1.625	10	40	BDCB	
O=C1NN=C/C1=C\Nc1cc(Cl)ccc1O	95921843	DGKIXVAVKINBRD-GQCTYLIASA-N	237.646	1.457	10	40	BDCB	
CCCC[C@@H](C(=O)O)N1C(=O)CSC1=S	1786690	KOGSLEYVUWTRIX-LURJTMIESA-N	247.341	1.490	10	40	BDCB	
Cc1nc2c(CN3CCOCC3)c(O)ccc2[nH]1	31809622	NASWQTZQJWQZLD-UHFFFAOYSA-N	247.298	1.409	10	40	BDCB	in-vitro
Oc1ccc([C@@H](O)CN2CCCC2)cc1O	1706405	JFPQZLUMJVNFAY-LBPRGKRZSA-N	223.272	1.227	10	40	BDCB	
CCc1nc(COc2ccc(N)cc2)n[nH]1	62719600	AVOFNJGCWWGLDJ-UHFFFAOYSA-N	218.260	1.528	10	40	BDCB	
CNC(=O)[C@@H]1CCCN(c2ccc(CN)cc2)C1	232278197	GDVUSTNPJIRKNM-GFCCVEGCSA-N	247.342	1.108	10	40	BDCB	
NC1=NC(=O)/C(=C\c2ccccc2[N+](=O)[O-])S1	478052	LZZUWGCZJRGCQW-VMPITWQZSA-N	249.251	1.524	10	40	BDCB	
C[C@H]1CN(c2ccc(N)cc2)C[C@@H](C)N1	8701174	FPBFBURPCHKEKH-AOOOYVTPSA-N	205.305	1.455	10	40	BDCB	
Cc1cccc(/C=C2\SC(=S)NC2=O)n1	1601113	LJEKFSNEORVEQW-YVMONPNESA-N	236.321	1.879	10	40	BDCB	
Cc1cccc(/N=N/N2CCC(=O)N2)c1	100145263	IHTGIJJZABUXDC-ACCUITESSA-N	204.233	1.731	10	40	BDCB	
COc1ccc(N2CCN(C)CC2)c(N)c1	45886093	ABCXATWRVDOEFZ-UHFFFAOYSA-N	221.304	1.029	10	40	BDCB	
COCCNCc1cc(Cl)ccc1O	4700358	KMTLIMAKRCHSII-UHFFFAOYSA-N	215.680	1.782	10	40	BDCB	
CN(Cc1ccccc1O)C(=O)c1cnsn1	48734891	HUSGJZVIISCTOB-UHFFFAOYSA-N	249.295	1.516	10	40	BDCB	
Cc1cc(C)c(O)c(CN(C)CC(=O)O)c1	338847	OQUMUWYQGYCOSP-UHFFFAOYSA-N	223.272	1.525	10	40	BDCB	
COc1ccc(N2[C@@H](C)CNC[C@@H]2C)cc1	11632711	APOTUCYXIRNTPU-QWRGUYRKSA-N	220.316	1.882	10	40	BDCB	
O=Cc1ccc(O)c(O)c1Br	39398257	QVOCITAVBWSYRN-UHFFFAOYSA-N	217.018	1.673	10	40	BDCB	
CCN(CC(=O)O)c1ccc(OC)cc1OC	76621170	CAGSYHVTWGGZLY-UHFFFAOYSA-N	239.271	1.615	10	40	BDCB	
Cn1c(-c2ccccc2)cnc1SCC(N)=O	420757	RYELLTXRTGYLJR-UHFFFAOYSA-N	247.323	1.665	10	40	BDCB	
Cc1ccc(N2NC(=O)CC2=O)cc1Cl	259795	NJFLCPJNPSIUCM-UHFFFAOYSA-N	224.647	1.416	10	40	BDCB	
O=C1NC(=S)S/C1=C\Nc1nccs1	12176818	PBHOTZPGRRGOKR-ARJAWSKDSA-N	243.338	1.544	10	40	BDCB	
[N-]=[N+]=NC1=Nc2ccccc2N2NNN=C12	3887190	SRFNCMVPKIRNKA-UHFFFAOYSA-N	214.192	1.183	10	40	BDCB	
Nc1ccc(NS(=O)(=O)C2CC2)cc1	38478414	CZMQONHLYNJQKU-UHFFFAOYSA-N	212.274	1.173	10	40	BDCB	
CN(C)c1cc2c(cc1[N+](=O)[O-])OCO2	32500113	IILYTGRXMMACQA-UHFFFAOYSA-N	210.189	1.390	10	40	BDCB	
Nc1ccc(N2C(=O)CCCC2=O)cc1	2381320	WREGJVIGNZMJOB-UHFFFAOYSA-N	204.229	1.312	10	40	BDCB	in-vitro
CN(C)c1ccc([C@H](CN)N2CCOCC2)cc1	19201661	SBMPCTJRUNJPHO-AWEZNQCLSA-N	249.358	1.085	10	40	BDCB	
CCOc1ccc(N2CC[C@H](O)C2)cc1	72206492	CFGHERCRLKYURJ-NSHDSACASA-N	207.273	1.656	10	40	BDCB	
O=c1cc(O)oc(/C=C/c2ccc(O)c(O)c2)c1	18068118	QISBNGLMCHHHFG-HNQUOIGGSA-N	246.218	1.927	10	40	BDCB	
O=C(Cc1nnc2ccccc2n1)N1CCCC1	16545236	LLLRKCQWJHQSKV-UHFFFAOYSA-N	242.282	1.190	10	40	BDCB	
CCC(=O)c1c(OC)cc(OC)c(O)c1O	34428497	YFIWHFAJKARUSA-UHFFFAOYSA-N	226.228	1.708	10	40	BDCB	in-vitro
CN1C[C@@H]2CN(c3ccc(N)cc3)C[C@H]2C1	26895942	BIKAXNVBMQFCNT-GHMZBOCLSA-N	217.316	1.267	10	40	BDCB	in-vitro
CON(C)/N=N/c1ccc(C(N)=O)cc1	17751122	SPSLUUKCFZCZHI-VAWYXSNFSA-N	208.221	1.277	10	40	BDCB	
N#C/N=[N+](\[O-])c1ccc2oc(=O)ccc2c1	100938760	DOFDHEFJHGIYQO-SEYXRHQNSA-N	215.168	1.868	10	40	BDCB	
Cc1cc(=O)c2c(o1)C(=O)c1occc1C2=O	1657260	HTALCQINWRTCCC-UHFFFAOYSA-N	230.175	1.317	10	40	BDCB	
NC(=O)C1CCN(CCc2ccc(N)cc2)CC1	35677196	MQCSPKJZWPNXBH-UHFFFAOYSA-N	247.342	1.009	10	40	BDCB	in-vitro
O=C1N=C(O)/C(=C/c2ccsc2)C(=O)N1	4114499	XPIZDKMPDWJHGB-UHFFFAOYSA-N	222.225	1.338	10	40	BDCB	
Cc1oncc1C(=O)Nc1ccc(N)cc1	21954379	HKAIIVIKEDGLLU-UHFFFAOYSA-N	217.228	1.818	10	40	BDCB	in-vitro
CC/C=C1\SC(/C(=C\CC)C(N)=O)=NC1=O	83310068	PQCKCPYZIJPBMO-SFECMWDFSA-N	238.312	1.774	10	40	BDCB	
Nc1ccc(NC(=O)N2CCOCC2)cc1	35407500	XXDCILOLAZWFNF-UHFFFAOYSA-N	221.260	1.133	10	40	BDCB	
CCN1CCN(c2cc3c(cc2N)OCO3)CC1	217726312	XSYVHCFCWNXSDX-UHFFFAOYSA-N	249.314	1.139	10	40	BDCB	
CN(C)CCNCc1ccc(N(C)C)cc1	22035570	MLAIYMLIDPQDJP-UHFFFAOYSA-N	221.348	1.404	10	40	BDCB	
CCOC(=O)c1cc(O)c(O)c(OC)c1	44200574	WKTHQEDVWJCEQZ-UHFFFAOYSA-N	212.201	1.283	10	40	BDCB	
Nc1ccc(NC(=O)C2CCOCC2)cc1	42768230	ICDBSHAHXMBYJA-UHFFFAOYSA-N	220.272	1.634	10	40	BDCB	
CCOc1ccc(N(C)CC(=O)O)cc1	49814483	ABCACYXFKFHCHX-UHFFFAOYSA-N	209.245	1.606	10	40	BDCB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C=[N+]=[N-]	95864342	FADVKNFSLDTPFW-QMMMGPOBSA-N	239.275	1.256	10	40	BDCB	
CN(C)Cc1cc(C=O)cc(CN(C)C)c1O	1645481	SBQUEJATYBSFNE-UHFFFAOYSA-N	236.315	1.328	10	40	BDCB	
C[C@@H](NN)c1ccc(N2CCOCC2)cc1	228973026	VALIKTAWSKFHNE-SNVBAGLBSA-N	221.304	1.048	10	40	BDCB	
CC(=O)n1nc2c(c1C)C(=O)C(=O)C(C)(C)C2	5792691	NIAZARWSKXRJGB-UHFFFAOYSA-N	234.255	1.186	10	40	BDCB	
Oc1cc2c(cc1O)-c1[nH]ncc1CC2	4772257	KIEMHVFGGXELEV-UHFFFAOYSA-N	202.213	1.587	10	40	BDCB	
CONC(=O)/C=C/c1ccc2c(c1)CCCN2C	61376884	WAKMGFOVIFJVKE-SOFGYWHQSA-N	246.310	1.760	10	40	BDCB	
CSC(SC)=C1C(=O)NN=C1C	5837985	ZUDDHZHYVDECAY-UHFFFAOYSA-N	202.304	1.430	10	40	BDCB	
CSC(=S)NCc1ccc(CN)cc1	68604391	JTNPJRRIHBTPTL-UHFFFAOYSA-N	226.370	1.883	10	40	BDCB	
CN(C)c1ccc(/C=C2/NC(=S)NC2=O)cc1	12341219	JDEZMVXJIDKERE-JXMROGBWSA-N	247.323	1.098	10	40	BDCB	
Oc1cc2c(cc1O)[C@H](c1cccnc1)NCC2	19691271	INWHESSIQOIMBL-AWEZNQCLSA-N	242.278	1.728	10	40	BDCB	
COC(=O)[C@H]1CCCN1c1ccc(N)cc1	118660081	UVYAMFCSPVRORS-LLVKDONJSA-N	220.272	1.411	10	40	BDCB	
COc1ccc(N2CCNC(=O)CC2)cc1	72397335	XLKGAEDJTMIVBZ-UHFFFAOYSA-N	220.272	1.022	10	40	BDCB	
CN(C)c1ccc(CNCc2ccn(C)n2)cc1	20351123	VMPMNDHNACZLOY-UHFFFAOYSA-N	244.342	1.776	10	40	BDCB	
COc1ccc(N(C)[C@@H](C)C(=O)O)c(OC)c1	222452803	NCILDTCPAHVANF-QMMMGPOBSA-N	239.271	1.613	10	40	BDCB	
CC[C@H](C)NC(=O)Cc1ccc(N)cc1	20154923	YWIXWRCUJDYBLA-VIFPVBQESA-N	206.289	1.726	10	40	BDCB	
Cc1noc(C)c1S(=O)(=O)N=[N+]=[N-]	34669759	YVAWIJSJSPUJDH-UHFFFAOYSA-N	202.195	1.290	10	40	BDCB	in-vitro
Nc1nc(O)cc(/N=N/c2ccc(O)cc2)n1	102854165	REZVRJZHTFIXDK-CCEZHUSRSA-N	231.215	1.885	10	40	BDCB	
O=C1NN=C/C1=C/Nc1cccc(Cl)c1	100404401	HJQFYYMBZYCGBG-ALCCZGGFSA-N	221.647	1.751	10	40	BDCB	
O=C1NC2=NN[C@@H](c3ccccc3O)[C@H]2S1	5584265	FLCBABJHCZJJCI-JGVFFNPUSA-N	235.268	1.175	10	40	BDCB	
COC(=O)Cc1nnc2cc(Cl)ccc2n1	16189869	PIOOJHRLBFKSID-UHFFFAOYSA-N	237.646	1.394	10	40	BDCB	
CC1=NC(=O)N[C@H](c2ccccc2O)[C@H]1C(=O)O	100265373	VAXKJZKKXSLAJX-VHSXEESVSA-N	248.238	1.318	10	40	BDCB	
Oc1ccccc1CNCCN1CCCC1	20126796	DCKBHFARUCKTTD-UHFFFAOYSA-N	220.316	1.578	10	40	BDCB	
CCN(CC)CC(=O)Nc1ccc(N)cc1	8703588	GVHLGRUOHQCCLA-UHFFFAOYSA-N	221.304	1.549	10	40	BDCB	
CN(C)c1ccc([C@H](O)Nc2ncccn2)cc1	5328616	IMGKCHWAEQETQY-LBPRGKRZSA-N	244.298	1.646	10	40	BDCB	
CCN[C@@H](C)[C@@H](O)c1ccc(O)c(O)c1	232	OHDICGSRVLBVLC-WRWORJQWSA-N	211.261	1.129	10	40	BDCB	in-man
CN1C(=O)/C(=C\c2cnn(C)c2)SC1=S	2787567	QRAPWTSMONNETH-XVNBXDOJSA-N	239.325	1.251	10	40	BDCB	
COC(=O)[C@H](/N=N\c1ccccc1)C(C)=O	104105453	NMEVLBPEHAMGJL-JBEXSADBSA-N	220.228	1.901	10	40	BDCB	
COc1cc2c(c(O)c1OC)CNCC2	3640247	DVQVXTPSJBCBJI-UHFFFAOYSA-N	209.245	1.055	10	40	BDCB	biogenic,in-vitro
CCN(CC)c1ccc(CNCC(=O)O)cc1	34959434	OLQZITFJEIMFMI-UHFFFAOYSA-N	236.315	1.707	10	40	BDCB	
Cc1cccc(C)c1N/C=C1/C=NNC1=O	3210276	FSEZDTSIGVIDGW-POHAHGRESA-N	215.256	1.715	10	40	BDCB	
Cc1c(C)c2cc(O)c(O)cc2oc1=O	8764843	PXTMNPOEAJPRQE-UHFFFAOYSA-N	206.197	1.821	10	40	BDCB	biogenic
CNC(=S)N(C)[C@@H](C)c1ccccc1O	44658279	QOSDMHYTUOUANO-QMMMGPOBSA-N	224.329	1.889	10	40	BDCB	
CN(C)/N=N\c1ccc(S(C)(=O)=O)cc1	104185805	OUSHTDCSYXBBBN-KHPPLWFESA-N	227.289	1.650	10	40	BDCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/O)C2=O)cc1	100944463	VBUAXIYMPKKMIQ-TWGQIWQCSA-N	246.222	1.020	10	40	BDCB	
CN(C)c1ccc([C@@H]2NNC(=S)S2)cc1	114510	DTBZIQGOUGFDHF-SECBINFHSA-N	239.369	1.877	10	40	BDCB	
Cc1nonc1/N=N/N(C)c1nonc1C	4852045	ACTWIGXZCIBQKX-MDWZMJQESA-N	223.196	1.205	10	40	BDCB	
O=c1[nH]cnc(O)c1/N=N/c1ccccc1	18193260	IAEMONUXDVJCEA-BUHFOSPRSA-N	216.200	1.891	10	40	BDCB	
CCC(=O)NC1=NN(c2ccccc2)C(=O)C1	16609831	YTPKYTWKBFUOFO-UHFFFAOYSA-N	231.255	1.263	10	40	BDCB	
CN(C)/N=N/c1ccc([N+](=O)[O-])cc1C(N)=O	18023026	JSIMNNUQUYWHET-VAWYXSNFSA-N	237.219	1.254	10	40	BDCB	
C[C@@H](c1ccccc1O)N(C)C(=O)c1cc[nH]n1	62777931	NKEBIXNPFVEZEB-VIFPVBQESA-N	245.282	1.949	10	40	BDCB	
NC1=NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1	2458546	JLPIFFCNKDHNMZ-RUDMXATFSA-N	248.263	1.344	10	40	BDCB	
CC1=NNC(=O)/C1=C/NCc1cccs1	95921747	HUZMMNZVRKUOEB-RMKNXTFCSA-N	221.285	1.227	10	40	BDCB	
COc1ccc(N2[C@@H](C)CNC[C@H]2C)cc1	11632712	APOTUCYXIRNTPU-PHIMTYICSA-N	220.316	1.882	10	40	BDCB	
COc1ccc2c(c1O)CN1CCC(=O)C[C@H]1C2	24717609	HEMCOQYXESBSDK-SNVBAGLBSA-N	247.294	1.490	10	40	BDCB	
Nc1ccc(Oc2cccc(CO)c2)nc1	43474719	DDGNLPVOLLYETC-UHFFFAOYSA-N	216.240	1.948	10	40	BDCB	
NCc1ccc(N2CCSCC2)cc1	20469778	QTWKZMAZAXHXLC-UHFFFAOYSA-N	208.330	1.699	10	40	BDCB	in-vitro
CNC(=O)[C@H]1CCCN1/N=N/c1ccccc1	1414459	QELSGHLOGSLCNQ-BFWGRDPESA-N	232.287	1.896	10	40	BDCB	
CN1CCCN(c2ccc(N)cc2)C1=O	19727522	DXYGWLQTBWIHQL-UHFFFAOYSA-N	205.261	1.531	10	40	BDCB	
Nc1ccc(CCN2CCSCC2)cc1	20257439	QLEWSVVVLAMGRE-UHFFFAOYSA-N	222.357	1.860	10	40	BDCB	in-vitro
CC(=O)NC1(Cl)C(=O)c2ccccc2C1=O	220733759	PSKSYPCADJONGE-UHFFFAOYSA-N	237.642	1.137	10	40	BDCB	
C[C@@H]1CN(c2ccc(N)cc2)CCN1C	56979818	OCGBBJFKEQEASN-SNVBAGLBSA-N	205.305	1.409	10	40	BDCB	
C[C@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CC(=O)O	103612195	ONAMPECMKOSVMX-NRZXQICZSA-N	210.229	1.036	10	40	BDCB	
CN1C(=O)/C(=C\c2ccncc2)SC1=S	4571397	ULZXZRKTTRIMFQ-SOFGYWHQSA-N	236.321	1.913	10	40	BDCB	
O=C1CC(=O)N(c2ccc(Cl)c(Cl)c2)N1	4714568	YOHVTUMGCRDSEU-UHFFFAOYSA-N	245.065	1.761	10	40	BDCB	
CNc1nc2c(s1)C(=O)c1ccccc1C2=O	72194230	DDPGKZSOCTUHOO-UHFFFAOYSA-N	244.275	1.960	10	40	BDCB	
Cn1nccc1-c1ccn(-c2ccc(N)cc2)n1	685936602	KEFIRGBBUPTNOE-UHFFFAOYSA-N	239.282	1.855	10	40	BDCB	
COc1cc2c(cc1OC)/C(=C\O)C(=O)N2	104177905	XOUNQQLPICQYHG-FNORWQNLSA-N	221.212	1.555	10	40	BDCB	
CC1=NNC(=O)/C1=C\c1ccc(N(C)C)cc1	4774027	BAWRRKUXAHTGRS-WQLSENKSSA-N	229.283	1.642	10	40	BDCB	
CCN(C)/N=N/c1ccc(C(N)=O)cc1	17836688	MUAXPXOIJKSJQC-OUKQBFOZSA-N	206.249	1.736	10	40	BDCB	
[N-]=[N+]=NCC(=O)N1CCn2c(Cl)cnc2C1	409436401	ZPGTURBNQTZVJW-UHFFFAOYSA-N	240.654	1.189	10	40	BDCB	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1	28020573	CQUFOEXVTDPUFL-ZDUSSCGKSA-N	248.326	1.548	10	40	BDCB	
Nc1ccc(CC(=O)OCC(F)(F)F)cc1	20154897	YSPDJVYUKALWRX-UHFFFAOYSA-N	233.189	1.917	10	40	BDCB	
CC1=NNC(=O)/C1=C\NCc1cccs1	13597590	HUZMMNZVRKUOEB-TWGQIWQCSA-N	221.285	1.227	10	40	BDCB	
CCn1c(C)cc(/C=C2/NC(=O)NC2=O)c1C	409040539	GMRPZLYQVOZLHB-UXBLZVDNSA-N	233.271	1.305	10	40	BDCB	
CCN[C@@H](C)[C@H](O)c1ccc(O)c(O)c1	1999313	OHDICGSRVLBVLC-CPCISQLKSA-N	211.261	1.129	10	40	BDCB	in-man
Oc1cc(O)c(/N=N/c2nc[nH]n2)c(O)c1	5670216	PEONSLFSKYJGTD-ACCUITESSA-N	221.176	1.337	10	40	BDCB	
CC1=NC2=S=C(c3ccccc3)C(=O)N2C=C1	334157126	XDGGELZYTVWQKC-UHFFFAOYSA-N	242.303	1.858	10	40	BDCB	
O=[N+]([O-])c1ccc2nc3ccccc3[n+]([O-])c2c1	4566493	BXFIXSOWURUHFJ-UHFFFAOYSA-N	241.206	1.930	10	40	BDCB	
COCC(=O)NCc1ccc(N2CCCC2)cc1	28336615	QDOOWRUBMZTEDD-UHFFFAOYSA-N	248.326	1.549	10	40	BDCB	
COc1cc(N)c(N2CCOCC2)cc1OC	12856714	GCYFJTWWVVFBJJ-UHFFFAOYSA-N	238.287	1.123	10	40	BDCB	
CCNCc1cc(C(=O)OC)ccc1O	96530241	IKLXPGZZXJZWCA-UHFFFAOYSA-N	209.245	1.288	10	40	BDCB	
Nc1ccc(CCC(=O)N2CCOCC2)cc1	20186528	XEBOVYWZFZWKNW-UHFFFAOYSA-N	234.299	1.060	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1	39151255	FJCGXBAKIMNIDC-YUMQZZPRSA-N	242.279	1.667	10	40	BDCB	
Cc1cc(CO)c(C)n1-c1ccc(C(N)=O)cc1	8701697	OSSUMEATUOFGKG-UHFFFAOYSA-N	244.294	1.685	10	40	BDCB	
O=C1Nc2ccccc2Nc2snnc21	1409537	TXOHIZXANILXBQ-UHFFFAOYSA-N	218.241	1.847	10	40	BDCB	
CCCc1[nH]nc(C(N)=O)c1/N=N\N(C)C	104119239	IIZWDQFXSNNCGH-YPKPFQOOSA-N	224.268	1.021	10	40	BDCB	
Cc1ccc(C)n1-c1ccc(OCC(N)=O)cc1	1608456	ANWHGWUKRRFXBQ-UHFFFAOYSA-N	244.294	1.958	10	40	BDCB	
O=C1NC2=NN[C@@H](c3ccccc3O)[C@@H]2S1	104832010	FLCBABJHCZJJCI-YUMQZZPRSA-N	235.268	1.175	10	40	BDCB	
CC(=O)[C@H]1C(=O)c2ccc(F)cc2C1=O	101407248	HKUNCWFKBJPDAB-VIFPVBQESA-N	206.172	1.410	10	40	BDCB	
COc1ccc(N2CCN(C)CC2)cc1	13470074	STFZXSYENJXMQE-UHFFFAOYSA-N	206.289	1.447	10	40	BDCB	
CC(C)CN(C)/N=N\c1nc[nH]c1C(N)=O	104053357	OMSNHZZGDKCVAY-YPKPFQOOSA-N	224.268	1.095	10	40	BDCB	
COc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(N)c1	213366943	NXDHJPXBKCRPOZ-NXEZZACHSA-N	236.315	1.891	10	40	BDCB	
CCc1ccccc1N1N=C(C)/C(=C\N)C1=O	104238374	HNTBGWJYSFMVAR-DHZHZOJOSA-N	229.283	1.814	10	40	BDCB	
NCc1ccc(N2CCOCC2)c(F)c1	11757279	GULVUKFJQUDLSH-UHFFFAOYSA-N	210.252	1.121	10	40	BDCB	in-vitro
N=C1C(=O)c2ccccc2C(O)=C1C(=O)O	2356096505	LUUNBSJOKUEDSL-UHFFFAOYSA-N	217.180	1.256	10	40	BDCB	
O=C1NC(=S)S/C1=C\N1CCCCC1	141660724	WBEZSHQFKUGFMW-SREVYHEPSA-N	228.342	1.462	10	40	BDCB	
CCOC(=O)c1c(C)nn2c(O)cc(C)nc12	38701022	MAHGWTRTNNNKCP-UHFFFAOYSA-N	235.243	1.228	10	40	BDCB	
C[C@]1(CC(=O)O)[C@@H]2CC[C@@]1(C)C(=O)C2=O	108359606	ONAMPECMKOSVMX-DADVEIPYSA-N	210.229	1.036	10	40	BDCB	
CN1C(=O)CCc2cc(N3CCNCC3)ccc21	62152665	QPXCOTAMGKSFJL-UHFFFAOYSA-N	245.326	1.005	10	40	BDCB	
CC(C)NC(=O)COc1ccc(N)cc1	20155102	OMNHZGCGNRLFKJ-UHFFFAOYSA-N	208.261	1.172	10	40	BDCB	
Nc1ccc(Oc2ncnc3[nH]cnc23)cc1	17147887	ZZDVUPHUXKIONA-UHFFFAOYSA-N	227.227	1.727	10	40	BDCB	
NCc1cc(C(=O)O)cc(Br)c1O	225722437	YRWWDFXSGHLGDW-UHFFFAOYSA-N	246.060	1.312	10	40	BDCB	
CON(C)/N=N\c1ccc(C(N)=O)cc1	104194144	SPSLUUKCFZCZHI-QXMHVHEDSA-N	208.221	1.277	10	40	BDCB	
C[C@@H](O)CN(C)Cc1cc(F)ccc1O	130644175	CYUZUBLFISSENU-MRVPVSSYSA-N	213.252	1.344	10	40	BDCB	
COc1ccc(N2CC[C@H](C(=O)O)C2)cc1	20357895	HXBCDDRPFLPZKK-VIFPVBQESA-N	221.256	1.606	10	40	BDCB	
C[C@@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CCC(=O)O	103612250	HGJUJPUCZZMEQY-UPZJHPNMSA-N	224.256	1.426	10	40	BDCB	
CC(C)(C)NC=C1C(=O)OC(C)(C)OC1=O	100361451	IBVULAHGUPPRDR-UHFFFAOYSA-N	227.260	1.095	10	40	BDCB	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]	238792147	MVBGZQZSRUYVPP-SECBINFHSA-N	241.291	1.405	10	40	BDCB	
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-]	32098844	QMZWXYPIPIISBG-HTQZYQBOSA-N	242.279	1.931	10	40	BDCB	
O=C(O)c1ccc(Br)c(O)c1O	40448786	DCHSBPLKXWBLIT-UHFFFAOYSA-N	233.017	1.559	10	40	BDCB	
Nc1n[nH]c(N)c1/N=N/c1ccc2c(c1)OCO2	101760785	HQNMHDJCGMVDTP-BUHFOSPRSA-N	246.230	1.718	10	40	BDCB	
Nc1cc2c(cc1N1CCCC1)OCO2	32500117	DABLOVBILVFLDF-UHFFFAOYSA-N	206.245	1.598	10	40	BDCB	
NCc1ccc(N2CCN(CC3CC3)CC2)cc1	20266099	DJPHOOYDEDBMGN-UHFFFAOYSA-N	245.370	1.677	10	40	BDCB	in-vitro
Nc1ccccc1N[C@H]1CC[C@H](O)CC1	100810022	XCULPJIYGZYWSD-AOOOYVTPSA-N	206.289	1.984	10	40	BDCB	
Cc1ccc(N2N=C(C(=O)O)CC2=O)c(C)c1	104713019	HZMZNNDGNPSEJJ-UHFFFAOYSA-N	232.239	1.481	10	40	BDCB	
Cn1cc(CNCc2ccccc2O)cn1	20352492	CZGBCALVFNKEMC-UHFFFAOYSA-N	217.272	1.416	10	40	BDCB	
CCCCS(=O)(=O)Nc1ccc(N)cc1	20157035	MRJOJGLUCZDCRR-UHFFFAOYSA-N	228.317	1.811	10	40	BDCB	in-vitro
O=[N+]([O-])c1ccc(N=NN2CCOCC2)cc1	254405806	KCLBHNXQRYEECM-UHFFFAOYSA-N	236.231	1.926	10	40	BDCB	
Nc1ccc(-n2ccc(C(=O)O)n2)cc1	12394571	YXQSKLHKJRCTHW-UHFFFAOYSA-N	203.201	1.153	10	40	BDCB	in-vitro
CNC(=O)c1ccccc1/N=N\N(C)C	104189529	XJWOPZMELRLUSH-SEYXRHQNSA-N	206.249	1.607	10	40	BDCB	
CC[C@H](C)NC(=O)COc1ccc(N)cc1	20155108	NCMGOTFWHSORKN-VIFPVBQESA-N	222.288	1.562	10	40	BDCB	
Cc1ccc([C@]2(C(=O)C=[N+]=[N-])OC2(C)C)cc1	8655395	HRBWQHQPSFMRDW-CYBMUJFWSA-N	230.267	1.869	10	40	BDCB	
Cc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1	3666178	QKJIWSYVUHMWAN-UHFFFAOYSA-N	248.238	1.022	10	40	BDCB	
O=S(=O)(Nc1ccc(O)c(Cl)c1)C1CC1	82879731	BWDNLDOPDHIJAR-UHFFFAOYSA-N	247.703	1.950	10	40	BDCB	
C=CC(=O)NC1(Cl)C(=O)c2ccccc2C1=O	256051287	INTGAMKUUBESRV-UHFFFAOYSA-N	249.653	1.303	10	40	BDCB	
CC1=NNC(=O)/C1=C/c1ccc(N(C)C)cc1	17058579	BAWRRKUXAHTGRS-XYOKQWHBSA-N	229.283	1.642	10	40	BDCB	
Oc1cc2c(cc1O)[C@H](c1ccco1)NCC2	16430237	ZTRJFKQJVDNVSQ-CYBMUJFWSA-N	231.251	1.926	10	40	BDCB	
Nc1ccc2c(ccn2Cc2ncc[nH]2)c1	257197836	KNDQGNASAITDKI-UHFFFAOYSA-N	212.256	1.995	10	40	BDCB	
O=C1NN=C/C1=C/Nc1ccccc1Cl	100392065	GHGIIBIZZBWCGP-ALCCZGGFSA-N	221.647	1.751	10	40	BDCB	
CC[C@@H](C)NCC(=O)c1ccc(O)c(O)c1	78914431	YQKWKIDGEIMBEB-MRVPVSSYSA-N	223.272	1.669	10	40	BDCB	
O=C(O)c1cnn2c(O)c3c(nc12)CCCC3	105374311	NZEMYHNSNFQIOD-UHFFFAOYSA-N	233.227	1.012	10	40	BDCB	
[N-]=[N+]=C1C(=O)c2cc(F)ccc2N=C1O	4127628	TYWHRYKKTKSYEE-UHFFFAOYSA-N	205.148	1.281	10	40	BDCB	
CCc1c(C)nc2c(C(=O)O)cnn2c1O	100002704	IRUIJFQWKBRSJB-UHFFFAOYSA-N	221.216	1.004	10	40	BDCB	
C[S@]1(=O)=CC(=O)C[C@H](c2ccccc2)C1	104129208	OQKISOQWAPEYGY-XHDPSFHLSA-N	222.309	1.459	10	40	BDCB	
Cn1cccc1/C=C1/SC(S)=NC1=O	1899763	XGKKCKXHCWLNFT-FNORWQNLSA-N	224.310	1.925	10	40	BDCB	
COC(=O)c1cc(C)n(-c2ccc(N)cc2)n1	63110861	REMNNJAFEHNCIW-UHFFFAOYSA-N	231.255	1.550	10	40	BDCB	
[N-]=[N+]=CC(=O)O[C@@H]1CCc2ccccc21	5541787	PLOZLBFNVLSYNM-SNVBAGLBSA-N	202.213	1.518	10	40	BDCB	
C[C@@H](Nc1c[nH]c(=N)nn1)c1cccc(F)c1	1857793478	RWIMHGGLRIXHOK-SSDOTTSWSA-N	233.250	1.596	10	40	BDCB	
Cc1ccc(/C=C2\C(=O)NC(=S)N=C2O)cc1	1839112	DDSUYICEGYMNQH-UHFFFAOYSA-N	246.291	1.750	10	40	BDCB	
Nc1nc(N)c(/N=N\c2ccccc2)c(O)n1	102902720	MUDXKPHUGKQTPE-NXVVXOECSA-N	230.231	1.762	10	40	BDCB	
c1cc(N2CCCC2)ccc1CNc1nn[nH]n1	8418802	ROABXEPSDKQOLL-UHFFFAOYSA-N	244.302	1.412	10	40	BDCB	
O=C1C(=O)C2[C@H]3CC[C@H]4C3C3[C@@H](CC[C@@H]23)C14	100940736	KFPQILVZXPVTDW-PHVHJKITSA-N	216.280	1.683	10	40	BDCB	
NC1=NC(=O)/C(=C/c2ccccc2C(=O)O)S1	33459888	OAKVNGCOFXPTSU-YVMONPNESA-N	248.263	1.314	10	40	BDCB	
NN1C(=O)/C(=C/c2cccs2)SC1=S	4175706	AKGLQVRMOUEOTF-XQRVVYSFSA-N	242.350	1.823	10	40	BDCB	
Nc1ccc(C[C@H]2SC(=O)NC2=O)cc1	1395203	QEVZXOBJHGOAML-MRVPVSSYSA-N	222.269	1.163	10	40	BDCB	
COC(=O)c1ccc(O)c(CN(C)C)c1	1718247	NVJULERDNIHRBR-UHFFFAOYSA-N	209.245	1.240	10	40	BDCB	
O=C1NC(=S)N=C(O)/C1=C\C=C\c1ccco1	18081244	FZPZMDRQJKKBQQ-HNQUOIGGSA-N	248.263	1.590	10	40	BDCB	
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CN=[N+]=[N-]	72207804	QLJPCGRLUVIWRR-RNFRBKRXSA-N	230.268	1.571	10	40	BDCB	
Cc1c(O)ccc(C(=O)C(=O)C(C)C)c1O	1563293	ZKOQAOHEUDWMGL-UHFFFAOYSA-N	222.240	1.814	10	40	BDCB	
CCN(CC(=O)O)c1ccc(OC)cc1	76584662	CFILRFLYDOWTAG-UHFFFAOYSA-N	209.245	1.606	10	40	BDCB	
Oc1cc2c(cc1O)[C@H](c1ccccn1)NCC2	3703130	SUYCURKUDLDFOG-CQSZACIVSA-N	242.278	1.728	10	40	BDCB	
CCCCCNC(=O)COc1ccc(N)cc1	20155112	QZZFTWWYXWTDDF-UHFFFAOYSA-N	236.315	1.954	10	40	BDCB	
CN1C[C@H]2CN(c3ccc(N)cc3)C[C@H]2C1	26895936	BIKAXNVBMQFCNT-PHIMTYICSA-N	217.316	1.267	10	40	BDCB	in-vitro
CCN(CC)/N=N/c1nc[nH]c1[N+](=O)[O-]	8169723	NCDIUSQDEWJYNR-ZHACJKMWSA-N	212.213	1.658	10	40	BDCB	
O=C1CSC(=S)N1CCc1ccncc1	26423436	GZDMOZZJDFUYIH-UHFFFAOYSA-N	238.337	1.484	10	40	BDCB	
C[C@@H](C(=O)Nc1ccc(N)cc1)n1cncn1	20283264	JIILXZLKCRZMIC-QMMMGPOBSA-N	231.259	1.060	10	40	BDCB	in-vitro
[N-]=[N+]=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	4921642	HBZGKOVPGJULGC-UHFFFAOYSA-N	228.189	1.594	10	40	BDCB	
C[C@@H]1CN(c2ccc(N)cc2)CC[N+]1(C)C	56979821	YGNHYMRUKIBUFI-LLVKDONJSA-N	220.340	1.554	10	40	BDCB	
[N-]=[N+]=NCc1nnnn1-c1cccc([N+](=O)[O-])c1	4179015	PLPQTQVXMMTWDQ-UHFFFAOYSA-N	246.190	1.381	10	40	BDCB	
C[S@]1(=O)=CC(=O)C[C@@H](c2ccccc2)C1	16954044	OQKISOQWAPEYGY-IAQYHMDHSA-N	222.309	1.459	10	40	BDCB	
[N-]=[N+]=NCCCOCCOCCOCCCN	108644263	VJXPLUVBIHOQFJ-UHFFFAOYSA-N	246.311	1.085	10	40	BDCB	
CCn1c(C)cc(/C=C2/NC(=O)N(C)C2=O)c1C	409193689	KTAYYRBWAXHPPR-YRNVUSSQSA-N	247.298	1.647	10	40	BDCB	
[N-]=[N+]=NS(=O)(=O)c1cccc2nsnc12	34669782	KNQNADSWXHJJRT-UHFFFAOYSA-N	241.257	1.690	10	40	BDCB	in-vitro
COc1ccc(N2CC[C@@H](CN)C2)cc1OC	11891709	YHKQABZJFXVKQG-JTQLQIEISA-N	236.315	1.489	10	40	BDCB	
Cc1nn(C)c(C)c1/N=N/c1[nH]cnc1C(N)=O	4478084	WPMYXHVLNJJYDY-CCEZHUSRSA-N	247.262	1.274	10	40	BDCB	
Nc1ccc(NC(=O)c2ccncc2)cc1	412379	UIBFGQPYFGQNJD-UHFFFAOYSA-N	213.240	1.916	10	40	BDCB	
COC[C@H](C)OC(=O)Cc1ccc(N)cc1	20154906	WNAKAQFAQUGPBE-VIFPVBQESA-N	223.272	1.389	10	40	BDCB	
NCc1cccc(Br)c1O	42411478	ABAAPYCSQHRWNS-UHFFFAOYSA-N	202.051	1.613	10	40	BDCB	
Cc1nc(C=S(C)(C)=O)cc(C(C)C)n1	218794446	UHFFLRUBDCXLPD-UHFFFAOYSA-N	226.345	1.603	10	40	BDCB	
CC(=O)Nc1cccc(/N=N/N2CCOCC2)c1	18115539	OCFQOHGZPRTQNF-CCEZHUSRSA-N	248.286	1.976	10	40	BDCB	
COCCOC(=O)/N=N\C(=O)OCCOC	100007777	PGHKJMVOHWKSLJ-KTKRTIGZSA-N	234.208	1.005	10	40	BDCB	
COc1ccc(N/C=C2/C(=O)NN=C2C)cc1	100363624	SIKCTZOCSDYCFL-YRNVUSSQSA-N	231.255	1.497	10	40	BDCB	
CN(c1ccc2c(c1)OCO2)C1CCNCC1	84528541	PQZOFQGNQVIYEC-UHFFFAOYSA-N	234.299	1.604	10	40	BDCB	
[N-]=[N+]=NCC(=O)NCc1ccc2c(c1)OCO2	100021879	DRSUDAMKGMJFNI-UHFFFAOYSA-N	234.215	1.342	10	40	BDCB	in-vitro
Nc1ccc(CC(=O)NCC(F)(F)F)cc1	19430278	ANQSISNWBJZYQO-UHFFFAOYSA-N	232.205	1.490	10	40	BDCB	
CCS(=O)(=O)Nc1ccc(N)cc1	20157032	CPPJVBODPOBMCV-UHFFFAOYSA-N	200.263	1.030	10	40	BDCB	in-vitro
CCCCOC(=O)COc1ccc(N)cc1	20155086	KGBIEIHWOBGNDK-UHFFFAOYSA-N	223.272	1.991	10	40	BDCB	
CN(C)/N=N\c1ccc(NC(N)=O)cc1	100374445	WWLYEGGJHPBBAE-SEYXRHQNSA-N	207.237	1.738	10	40	BDCB	
O=Cc1cc(Br)cc(O)c1O	59617869	QOJBBGBTZFXYBV-UHFFFAOYSA-N	217.018	1.673	10	40	BDCB	
COc1ccc(N(C)[C@H](C)C(=O)O)c(OC)c1	260064695	NCILDTCPAHVANF-MRVPVSSYSA-N	239.271	1.613	10	40	BDCB	
CC(=O)N1CCCN(c2ccc(N)cc2)CC1	20270764	NAGIUNDJXZEGFW-UHFFFAOYSA-N	233.315	1.327	10	40	BDCB	
Nc1ccc(CN2C(=O)[C@@H]3CCCN3C2=O)cc1	4343396	UZKMXLCYYHVHRC-NSHDSACASA-N	245.282	1.195	10	40	BDCB	
CN(C)/N=N\c1ccccc1C(=O)NC#N	104191178	MXAOGXYTFLCDDF-YPKPFQOOSA-N	217.232	1.458	10	40	BDCB	
O=C1NC(=S)S/C1=C\c1ccco1	1083116	ISSUVJNRFWFRIV-XQRVVYSFSA-N	211.267	1.768	10	40	BDCB	
CCN(/N=N/c1nonc1C)c1nonc1C	4108253	KZBNEONYPWMJGC-NTEUORMPSA-N	237.223	1.595	10	40	BDCB	
NC(=O)NCc1ccc(N2CC=CC2)cc1	101242635	OWBAWTPYUYSIIT-UHFFFAOYSA-N	217.272	1.231	10	40	BDCB	
CN1CCN(c2ccc(/C=C/C(=O)O)cc2)CC1	20526943	CZAFCRAXLSUYPN-QPJJXVBHSA-N	246.310	1.536	10	40	BDCB	
CC1=NC(=O)N[C@H](c2ccccc2O)[C@@H]1C(=O)O	100265366	VAXKJZKKXSLAJX-NXEZZACHSA-N	248.238	1.318	10	40	BDCB	
C[C@@H]1SC(=S)N(CCCC(=O)O)C1=O	4942286	OPGULKDHFAYDIJ-YFKPBYRVSA-N	233.314	1.100	10	40	BDCB	
CCCCOC(=O)c1[nH]cnc1/N=N\N(C)C	104088617	ZPCAGCXFSKUPRF-YPKPFQOOSA-N	239.279	1.927	10	40	BDCB	
C[C@H](NN)c1cc(Br)ccc1O	199537513	AVTXPYIZPHFTBN-YFKPBYRVSA-N	231.093	1.679	10	40	BDCB	
Cc1cc(O)c([C@H](C)NN)cc1Cl	199537578	IIHQXZHCGNUICN-LURJTMIESA-N	200.669	1.878	10	40	BDCB	
CCc1nc(COc2ccc(N)cc2)no1	49335842	CSGUUMOZTJEMPY-UHFFFAOYSA-N	219.244	1.793	10	40	BDCB	
Oc1cc2c(cc1CN1CCCC1)OCO2	6996605	BLLPUKPFPVYHAP-UHFFFAOYSA-N	221.256	1.717	10	40	BDCB	
c1cc2c(cc1/N=N/N1CCOCC1)OCCO2	14628752	HBOBHEUYWXOTDX-BUHFOSPRSA-N	249.270	1.789	10	40	BDCB	
NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	108764859	OQRDKLGPBZIGOD-ZZXKWVIFSA-N	232.283	1.022	10	40	BDCB	
CC(=O)O[C@H]1C[C@@H]2C(=O)C(=O)[C@]1(C)C2(C)C	100746633	IBRVHONNJUWZOO-RGNHYFCHSA-N	224.256	1.122	10	40	BDCB	
Cc1ccc(/C=C2/SC(=S)N(N)C2=O)o1	12417298	OTFLIXVBJGLXMT-QPJJXVBHSA-N	240.309	1.663	10	40	BDCB	
COc1cccc(CNC(=O)NC(C)C)c1O	95960916	OJYDMWCSYPMHBN-UHFFFAOYSA-N	238.287	1.608	10	40	BDCB	
CC(=C\c1ccco1)/C=C1/C(=O)NC(=O)N=C1O	44973382	LXOPTDULVOIOBW-FNORWQNLSA-N	246.222	1.816	10	40	BDCB	
CNC[C@@H](OC(C)C)c1ccc(O)c(O)c1	5963095	LRCGVYYVNKGKBM-GFCCVEGCSA-N	225.288	1.783	10	40	BDCB	
CCN(CC)C(=O)COc1ccc(N)cc1	8737760	LIEAOTKKNUTPJJ-UHFFFAOYSA-N	222.288	1.516	10	40	BDCB	
COC(=O)c1cc2ccc(O)c(O)c2cn1	6385198	FYZSTQBJIYNWIC-UHFFFAOYSA-N	219.196	1.433	10	40	BDCB	
Cn1nccc1COc1ccc(N)cc1	72209527	AQDVYFRVXGBJOB-UHFFFAOYSA-N	203.245	1.581	10	40	BDCB	
CCCNCc1cc(C(=O)OC)ccc1O	96530247	RJIQYKANBRIVKS-UHFFFAOYSA-N	223.272	1.678	10	40	BDCB	
CCNC(=O)c1ccccc1/N=N\N(C)C	104189533	JTFMTTMATJZIGO-YPKPFQOOSA-N	220.276	1.997	10	40	BDCB	
CC(C)CNC(=O)Cc1ccc(N)cc1	20185635	JIKKSGFKPIHLDS-UHFFFAOYSA-N	206.289	1.584	10	40	BDCB	
Cc1cc(=O)[nH]c(Cc2ccc(N)cc2)n1	225008215	ZPBSGZZWTVSGNI-UHFFFAOYSA-N	215.256	1.251	10	40	BDCB	
COc1ccc(NC(=O)CN=[N+]=[N-])cc1OC	95807883	JPGOYMNJLRGXMA-UHFFFAOYSA-N	236.231	1.953	10	40	BDCB	
COc1ccc(N2CC[C@H](CN)C2)cc1OC	11891713	YHKQABZJFXVKQG-SNVBAGLBSA-N	236.315	1.489	10	40	BDCB	
CC(=O)C/C(C)=C1\SC(=S)NC1=O	100069124	IKMBGCIIBSHRAI-XQRVVYSFSA-N	215.299	1.387	10	40	BDCB	
O=C1C(=O)C2[C@@H]3C4C5[C@H](C1[C@H]4[C@H]1C[C@H]31)[C@H]1C[C@@H]1[C@@H]25	104290520	KPZGVZVLGTZKGK-QNFZGTFASA-N	240.302	1.394	10	40	BDCB	
COc1ccc(N2CC[C@H](CN)C2)cc1	11891667	NKHWOJQUGQNVGN-SNVBAGLBSA-N	206.289	1.480	10	40	BDCB	in-vitro
CC(C)[C@@H]1CNCCN1Cc1ccccc1O	72233405	PTRADNMFWMJWBG-ZDUSSCGKSA-N	234.343	1.822	10	40	BDCB	
COC(=O)c1ccn(-c2ccc(N)cc2)n1	41046567	MJANDHLGTSRJIH-UHFFFAOYSA-N	217.228	1.241	10	40	BDCB	
COC(=O)[C@H]1CCCN1c1ccc(CN)cc1	26896333	FGNIMXHNQWVDJE-GFCCVEGCSA-N	234.299	1.287	10	40	BDCB	
COC(=O)c1sc2snnc2c1O	3844403	QHSBPWHYRXTSNE-UHFFFAOYSA-N	216.243	1.245	10	40	BDCB	biogenic
CN(C)c1ccc(/N=N/c2n(C)nc[n+]2C)cc1	5161510	PMJXPPBTJCUKGB-UHFFFAOYSA-N	245.310	1.726	10	40	BDCB	
O=CN1CCC(=S)Nc2ccccc21	7089618	YKFODXUWTPPGBO-UHFFFAOYSA-N	206.270	1.792	10	40	BDCB	
CN(/N=N\c1[nH]cnc1C(N)=O)C(C)(C)C	104150360	AAJDSRGHNWBKQN-YPKPFQOOSA-N	224.268	1.238	10	40	BDCB	
CCOC(=O)C(=[N+]=[N-])c1nc2ccccc2s1	3844518	CYKOXDBOROUQQO-UHFFFAOYSA-N	247.279	1.878	10	40	BDCB	
c1cc(N2CCCC2)ccc1CNn1cnnc1	7365406	FKZQQGYQSBTCML-UHFFFAOYSA-N	243.314	1.622	10	40	BDCB	
N[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1O	72196478	QVNXIXORXUHJGB-LURJTMIESA-N	236.054	1.783	10	40	BDCB	
Cc1[nH]nc(C(=O)OC(C)C)c1/N=N\N(C)C	104119184	IAWKFPLTLIRJLZ-YPKPFQOOSA-N	239.279	1.844	10	40	BDCB	
Oc1ccc([C@H](O)CN2CCCC2)cc1O	6525260	JFPQZLUMJVNFAY-GFCCVEGCSA-N	223.272	1.227	10	40	BDCB	
Nc1ccc(C[C@H]2CNC(=O)OC2)cc1	218684827	PSKACXIPWDSHAQ-VIFPVBQESA-N	206.245	1.167	10	40	BDCB	
O=C(Nc1ccc(O)cc1C(=O)O)c1ccc[nH]1	42431732	DESSDRVXUCGJQX-UHFFFAOYSA-N	246.222	1.671	10	40	BDCB	
Cc1cc(NCc2ccc(O)cc2O)n(C)n1	256051614	JWHRLVWELNNZTO-UHFFFAOYSA-N	233.271	1.752	10	40	BDCB	
C[S@](=O)CCNCc1ccc2c(c1)CCO2	72286929	XROBFRHCVBNVKW-MRXNPFEDSA-N	239.340	1.090	10	40	BDCB	
CCCCN(C)/N=N\c1[nH]cnc1C(=O)OC	104062483	PUJZLQLEKPFMBH-YPKPFQOOSA-N	239.279	1.927	10	40	BDCB	
CC(C)OC(=O)NCc1ccc(N)cc1	38172033	DMMPZXOYXNXNOD-UHFFFAOYSA-N	208.261	1.903	10	40	BDCB	in-vitro
COCC1=NNC(=O)/C1=C\Nc1ccccc1	15988070	HVCVDQRIFONSDB-YFHOEESVSA-N	231.255	1.115	10	40	BDCB	
CCOCCOCCOc1ccc(N)cc1	36985901	ZPPAIDISWIOLFL-UHFFFAOYSA-N	225.288	1.701	10	40	BDCB	
O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O	2512313	UQQYIAVMUUJWGX-UHFFFAOYSA-N	246.218	1.740	10	40	BDCB	in-vitro
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	20154954	MGSJYCNPVNAWPJ-PHIMTYICSA-N	248.326	1.447	10	40	BDCB	
CC(=O)c1ccc(O)c(CN2CCOCC2)c1	19229956	KIONGQRFDUEFMS-UHFFFAOYSA-N	235.283	1.427	10	40	BDCB	
Nc1ccc(C(=O)C(=O)c2ccc(N)cc2)cc1	1710961	TYWAOIBYSDORAH-UHFFFAOYSA-N	240.262	1.917	10	40	BDCB	
Cc1nn(CCO)c(C)c1Cc1ccc(N)cc1	72324002	NVTCFPYJFIAVQS-UHFFFAOYSA-N	245.326	1.665	10	40	BDCB	
Oc1cc2c(cc1O)[C@@H](c1ccco1)NCC2	16430240	ZTRJFKQJVDNVSQ-ZDUSSCGKSA-N	231.251	1.926	10	40	BDCB	
CN(C)c1ccc([C@@H]2NCCCN2C)cc1	19322853	UVJCDXILFCXERS-CYBMUJFWSA-N	219.332	1.676	10	40	BDCB	
CCN(CC)S(=O)(=O)Cc1ccc(N)cc1	20560554	CGQWZONVGWOAFW-UHFFFAOYSA-N	242.344	1.440	10	40	BDCB	
Cc1cc(=O)[nH]c2sc(C(=O)O)c(N)c12	5401611	KHPKCMCXAQURJH-UHFFFAOYSA-N	224.241	1.178	10	40	BDCB	
Nc1ccc(CC(=O)N2CCCCC2)cc1	20154927	KJGPMPSNXGSEGR-UHFFFAOYSA-N	218.300	1.824	10	40	BDCB	
COc1cc(CC(=S)C(=O)O)ccc1O	47620	LYRYUVTXTTUSSY-UHFFFAOYSA-N	226.253	1.398	10	40	BDCB	biogenic
COC(=O)CCCOc1ccc(N)cc1	37286286	LVLZILAEKZZEQY-UHFFFAOYSA-N	209.245	1.601	10	40	BDCB	in-vitro
COC(=O)C[C@H]1SC(=S)N(C(C)C)C1=O	219780884	QPUDCJVDKGMMNW-ZCFIWIBFSA-N	247.341	1.187	10	40	BDCB	
COC(=O)c1n[nH]c(C)c1/N=N/N(C)C	18087682	XJMYIVKYJZOXSO-VAWYXSNFSA-N	211.225	1.065	10	40	BDCB	
Nc1ccc(CN2CCC(C(=O)O)CC2)cc1	58006821	WOJLXUFFSBKPBM-UHFFFAOYSA-N	234.299	1.565	10	40	BDCB	
CCOC(=O)/C(=C/O)NC(=O)c1ccccc1	104261380	ORZMQZRBRRYWDI-NTMALXAHSA-N	235.239	1.379	10	40	BDCB	
CCN(CC)c1ccc([C@H](N)C(=O)O)cc1	72196308	WXAIDIKAYUEWKN-NSHDSACASA-N	222.288	1.617	10	40	BDCB	
CC(=O)C/C(C)=C1/SC(=S)NC1=O	12341834	IKMBGCIIBSHRAI-GQCTYLIASA-N	215.299	1.387	10	40	BDCB	
CC/C(C)=C1\SC(=S)N(CO)C1=O	40541590	NVRQEUNNSOXBPC-WAYWQWQTSA-N	217.315	1.481	10	40	BDCB	
CC1=NN(C)C(=O)/C1=C\c1ccccc1	196934406	SDEWMTUZYVVLLY-FLIBITNWSA-N	200.241	1.918	10	40	BDCB	
Nc1ccc(-n2cnc(C(=O)O)c2)cc1	140479186	JYDTWDYHGFVGIG-UHFFFAOYSA-N	203.201	1.153	10	40	BDCB	
COc1cccc(N/C=C2\C=NNC2=O)c1	95921837	QKRRCXXUXVTIRA-SOFGYWHQSA-N	217.228	1.107	10	40	BDCB	
O=C1c2ccccc2C(=O)C1C(=O)C1CC1	100474256	NDILTBZMYAMYJH-UHFFFAOYSA-N	214.220	1.661	10	40	BDCB	
CN(C)/N=N/c1ccccc1C(=O)NC#N	18061854	MXAOGXYTFLCDDF-BUHFOSPRSA-N	217.232	1.458	10	40	BDCB	
O=C1CSC(=S)N1C[C@H]1CCCO1	1465868	SHTKEHNWPGRDGH-ZCFIWIBFSA-N	217.315	1.026	10	40	BDCB	
CN(c1ccc2c(c1)OCO2)[C@@H]1CCNC1	98181592	SJRQJXDMDKNNLG-SNVBAGLBSA-N	220.272	1.213	10	40	BDCB	
[N-]=[N+]=NCC(=O)NCc1ccc(F)cc1	100035858	ZGYPMBGOLCKPLJ-UHFFFAOYSA-N	208.196	1.752	10	40	BDCB	
Cc1nc2c(n1C)C(=O)c1ccccc1C2=O	184652	DSABGXKNIWFVGX-UHFFFAOYSA-N	226.235	1.504	10	40	BDCB	
COC[C@@H](O)CNc1ccccc1OC	792397	JKJOHPWKFVWNEG-VIFPVBQESA-N	211.261	1.114	10	40	BDCB	
Cc1nnc(SCc2ccc(N)cc2)n1N	20396345	HBJHDYFCSYEWJU-UHFFFAOYSA-N	235.316	1.175	10	40	BDCB	
Cc1cc(=O)[nH]c(COc2ccc(N)cc2)n1	226103463	LRUYQXSFXVQWEI-UHFFFAOYSA-N	231.255	1.240	10	40	BDCB	
Nc1ccc(Cc2nnc3n2CCC3)cc1	36896106	VBLDRPOXHLUDBE-UHFFFAOYSA-N	214.272	1.397	10	40	BDCB	in-vitro
NCc1cc(F)c(N2CCOCC2)c(F)c1	62708968	XZVHIFLULLZICN-UHFFFAOYSA-N	228.242	1.260	10	40	BDCB	in-vitro
CC(=O)CC(=O)C1C(=O)c2ccccc2C1=O	100222694	YJWDIKOFEFCHJX-UHFFFAOYSA-N	230.219	1.230	10	40	BDCB	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](N=[N+]=[N-])C1	32098837	CSWBTQKOSPXYIE-RQJHMYQMSA-N	228.252	1.277	10	40	BDCB	
COC(=O)c1n[nH]c(C(C)C)c1/N=N\N(C)C	104119190	JRZJIRHQQNYGSS-YPKPFQOOSA-N	239.279	1.880	10	40	BDCB	
CCn1ccc(CNCc2ccccc2O)n1	20352490	VSPYAWABUAZBCJ-UHFFFAOYSA-N	231.299	1.898	10	40	BDCB	
CCOC(=O)/N=N/C(C)(C)OC(C)=O	18190263	JVRRYCCNWITMTO-MDZDMXLPSA-N	202.210	1.894	10	40	BDCB	
CCSc1nnnn1-c1ccc(N)cc1	9970592	QFYSYUWBZUADMM-UHFFFAOYSA-N	221.289	1.357	10	40	BDCB	
NC(=O)c1ccc(Nc2ccc(N)cc2)nc1	19519665	GTHJWSYOXYFTFS-UHFFFAOYSA-N	228.255	1.506	10	40	BDCB	
Cc1ccc(O)c(CNc2nc(C)nn2C)c1	162499306	DWZCREWSGRTQOW-UHFFFAOYSA-N	232.287	1.750	10	40	BDCB	
Cc1cc(=O)oc2c(O)c(O)c(C(=O)O)cc12	68675288	XIMHCTQNXMBBJB-UHFFFAOYSA-N	236.179	1.211	10	40	BDCB	
NC1CCN(Cc2ccccc2O)CC1	20521615	VUMIPUSPWRQJPJ-UHFFFAOYSA-N	206.289	1.315	10	40	BDCB	
CN(C)C(=O)NCCc1ccc(N)cc1	85955991	DBCWUUBXEABVRB-UHFFFAOYSA-N	207.277	1.083	10	40	BDCB	in-vitro
CN(C)c1ccc(/N=N/S(=O)(=O)O)cc1	2040981	FLTYACUMGDVPLP-MDZDMXLPSA-N	229.261	1.639	10	40	BDCB	in-vitro
C[C@@]12CC[C@H](C(=O)C1=O)[C@@]2(C)CCC(=O)O	103612243	HGJUJPUCZZMEQY-NZXMKCKXSA-N	224.256	1.426	10	40	BDCB	
CCOC(=O)c1cnn2c(O)cc(CC)nc12	96515989	KZDXSSMHCGRPMV-UHFFFAOYSA-N	235.243	1.174	10	40	BDCB	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CN=[N+]=[N-]	72207806	QLJPCGRLUVIWRR-RQJHMYQMSA-N	230.268	1.571	10	40	BDCB	
O=C(O)c1cc2c([nH]1)-c1cccnc1C(=O)C2=O	1587291	DNQYRUJIYVDDRZ-UHFFFAOYSA-N	242.190	1.154	10	40	BDCB	
COc1ccc(N2CCOCC2)cc1C(=O)O	21948231	DVQYWYSXXWTXBE-UHFFFAOYSA-N	237.255	1.230	10	40	BDCB	
CCOc1ccc(N2CC[C@H](N)C2)cc1	37240342	HSGIHXNDBCNRKO-JTQLQIEISA-N	206.289	1.623	10	40	BDCB	
CCOC(=O)/C=C\c1ccc(O)c(O)c1	12359038	WDKYDMULARNCIS-XQRVVYSFSA-N	208.213	1.674	10	40	BDCB	
NC1=NC(=O)/C(=C\c2ccccc2O)S1	5583225	XZFSORSNUODNAM-VMPITWQZSA-N	220.253	1.321	10	40	BDCB	
C[C@@H](NC(=O)/N=N/c1ccccc1)C(=O)O	4974485	ZJWVEQMFWYJXEH-ZROXAAKISA-N	221.216	1.953	10	40	BDCB	
CC1=NN(c2ccccc2)C(=O)C1=[N+]=[N-]	4127716	HCNUVPLRPLRUAW-UHFFFAOYSA-N	200.201	1.080	10	40	BDCB	
Oc1ccc(/N=N/c2ncn[nH]2)c(O)c1	5344237	CJVFCRNUSLAWGY-ACCUITESSA-N	205.177	1.631	10	40	BDCB	
Nc1nc2nc3nc(N)sc3cc2s1	161621	YEXRTWOVQNJHLF-UHFFFAOYSA-N	223.286	1.465	10	40	BDCB	
Cc1cc(O)c([C@@H](C)NN)cc1Cl	199537561	IIHQXZHCGNUICN-ZCFIWIBFSA-N	200.669	1.878	10	40	BDCB	
CNC(=S)N(C)[C@H](C)c1ccccc1O	44658283	QOSDMHYTUOUANO-MRVPVSSYSA-N	224.329	1.889	10	40	BDCB	
Nc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1	45930489	VVXCAKRQOQXAFU-UHFFFAOYSA-N	229.239	1.155	10	40	BDCB	
CCC(=O)NC(=S)Nc1ccc(N)cc1	342205	NGZWEBLIRVCQRD-UHFFFAOYSA-N	223.301	1.492	10	40	BDCB	
Cc1nn(C)cc1COc1ccc(N)cc1	12395348	RLYULTAJGVUTKH-UHFFFAOYSA-N	217.272	1.890	10	40	BDCB	
Nc1ccc(NC(=O)CN2CCCC2)cc1	8703590	XOUXKZYAZIUGDV-UHFFFAOYSA-N	219.288	1.303	10	40	BDCB	
Cc1nnc2sc(Cc3ccc(N)cc3)nn12	62719916	SHQFQIYSBSQYBQ-UHFFFAOYSA-N	245.311	1.667	10	40	BDCB	
CCOC(=O)Cc1nnc2ccccc2n1	1853872	MWAVYFFYPQEWLY-UHFFFAOYSA-N	217.228	1.130	10	40	BDCB	
CC(C)S(=O)(=O)Cc1ccc(N)cc1	37687091	DDGGXSJRHALAOX-UHFFFAOYSA-N	213.302	1.592	10	40	BDCB	in-vitro
Nc1ccc2c(ccn2CCN2CCOCC2)c1	36949951	DYDIXKXTRPCMCF-UHFFFAOYSA-N	245.326	1.556	10	40	BDCB	in-vitro
Nc1ccc(N2CCC[C@@H](CO)C2)cc1	57585339	ZPGVLDQXMSGLHG-SNVBAGLBSA-N	206.289	1.478	10	40	BDCB	
CN1C(=O)/C(=C\c2cccn2C)C(O)=NC1=S	17180714	LVRDAPHQBXCBSJ-VURMDHGXSA-N	249.295	1.122	10	40	BDCB	
CN(C)c1ccc(CNC2=NCCCN2)cc1	58329416	IXGOLUUIMFCJJE-UHFFFAOYSA-N	232.331	1.192	10	40	BDCB	
N[C@H](C(=O)O)c1ccc(N2CCCC2)cc1	72196284	RTKPXWNGEYBJTF-NSHDSACASA-N	220.272	1.371	10	40	BDCB	
CN(Cc1ccccc1O)C(=O)c1ccon1	89363626	BGNWNGPLUHOIMP-UHFFFAOYSA-N	232.239	1.652	10	40	BDCB	
NCc1ccc(N2CCC(O)CC2)c(F)c1	20469718	PJBQAMWFYBKREY-UHFFFAOYSA-N	224.279	1.246	10	40	BDCB	in-vitro
NCc1cc(C=O)cc(Br)c1O	225721272	XJJVCPYFPRWNPN-UHFFFAOYSA-N	230.061	1.426	10	40	BDCB	
CN(Cc1cnn(C)c1)c1ccc(N)cc1	12394348	WAMLJZGQJTUBMC-UHFFFAOYSA-N	216.288	1.639	10	40	BDCB	
CN1C(=O)NC(=N)/C(=C\c2ccccc2)C1=O	16188910	MHRDCWQUNSHTSV-VQHVLOKHSA-N	229.239	1.229	10	40	BDCB	
COC(=O)c1ccc(/N=N/N2CCOCC2)cc1	13111948	DDBDXIYOLCLNBW-BUHFOSPRSA-N	249.270	1.804	10	40	BDCB	
Cc1cc(NCc2ccc(O)cc2O)nn1C	20352784	CMZOEUXHCJXRKQ-UHFFFAOYSA-N	233.271	1.752	10	40	BDCB	
Cc1cc(C)c(O)c(CN2CCOCC2)c1	12953887	DZKLFCPPSYPMPY-UHFFFAOYSA-N	221.300	1.841	10	40	BDCB	
Cn1cc(CNCc2ccc(O)cc2O)cn1	20352566	KXUBEDYAQASMDO-UHFFFAOYSA-N	233.271	1.121	10	40	BDCB	
COc1ccc(N(C)CC(=O)O)cc1Cl	49821508	ZQOQVSUYUANFGK-UHFFFAOYSA-N	229.663	1.869	10	40	BDCB	
COc1ccc(C(N)=O)cc1/N=N\N(C)C	104193266	DGNRILCIMHRIOR-SEYXRHQNSA-N	222.248	1.354	10	40	BDCB	
NN1C(=O)/C(=C\c2ccco2)SC1=S	1281115	CKJIJKBWEPBBIS-GQCTYLIASA-N	226.282	1.355	10	40	BDCB	
COC(=O)C(C)(C)N=NC(C)(C)C(=O)OC	242750524	ZQMHJBXHRFJKOT-UHFFFAOYSA-N	230.264	1.342	10	40	BDCB	
Cc1nc(N)sc1-c1csc(N)n1	4116961	ZHOXUJNGYDQBHR-UHFFFAOYSA-N	212.303	1.739	10	40	BDCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\O	100149367	QDTHIRQDQHTARK-POHAHGRESA-N	220.203	1.990	10	40	BDCB	
CN(C)/N=N/c1ccc(S(=O)(=O)O)cc1	3047957	QEVNEOGSQSBJIZ-MDZDMXLPSA-N	229.261	1.494	10	40	BDCB	
O=[N+]([O-])c1cccc(/N=N/N2CCOCC2)c1	14628756	RBHSPYCALQCWNC-VAWYXSNFSA-N	236.231	1.926	10	40	BDCB	
N[C@@H](C(=O)O)c1ccc(N2CCCC2)cc1	89223442	RTKPXWNGEYBJTF-LLVKDONJSA-N	220.272	1.371	10	40	BDCB	
COc1ccc(C(N)=O)cc1/N=N/N(C)C	17919113	DGNRILCIMHRIOR-OUKQBFOZSA-N	222.248	1.354	10	40	BDCB	
COC(=O)CNCc1cc(Cl)ccc1O	90225644	KXCYZXQCZALVFW-UHFFFAOYSA-N	229.663	1.308	10	40	BDCB	in-vitro
NC1=NC(=O)/C(=C\c2ccncc2)S1	6456714	UUHGUAOZDGVCNA-FNORWQNLSA-N	205.242	1.011	10	40	BDCB	
Nc1ccc(-n2nnnc2-c2ccco2)cc1	873979	QVODMKDZBXLLSB-UHFFFAOYSA-N	227.227	1.505	10	40	BDCB	
O=C1c2ccncc2C(=O)c2ccncc21	34440679	KFLUOJYWKAUGOT-UHFFFAOYSA-N	210.192	1.252	10	40	BDCB	
C[C@H]1SC(=S)N(CCCC(=O)O)C1=O	4942285	OPGULKDHFAYDIJ-RXMQYKEDSA-N	233.314	1.100	10	40	BDCB	
CCCS(=O)(=O)Nc1ccc(N)cc1	21958147	DUUBLKMKQRMPKH-UHFFFAOYSA-N	214.290	1.421	10	40	BDCB	in-vitro
[N-]=[N+]=NS(=O)(=O)c1cccc([N+](=O)[O-])c1	4921641	WGTKCHUGTQBBMR-UHFFFAOYSA-N	228.189	1.594	10	40	BDCB	
C1=C(N2CCOCC2)Cc2ccccc21	55116643	CUPIANNSPOAEQQ-UHFFFAOYSA-N	201.269	1.916	10	40	BDCB	
C[C@H](NC(=O)/N=N/c1ccccc1)C(=O)O	5641239	ZJWVEQMFWYJXEH-ZZJWOMNOSA-N	221.216	1.953	10	40	BDCB	
CCOc1ccc(/N=N\S(=O)(=O)O)cc1	100135762	XMGQNRYTFRFCPU-KTKRTIGZSA-N	230.245	1.972	10	40	BDCB	in-vitro
CCn1cc(CNCc2ccccc2O)cn1	20352496	PETJWXYNRCBVOR-UHFFFAOYSA-N	231.299	1.898	10	40	BDCB	
COc1ccc(N(C)[C@@H](C)C(=O)O)cc1	82259429	METLAIYNPSUUOV-QMMMGPOBSA-N	209.245	1.605	10	40	BDCB	
Nc1ccc(OCC(=O)OCC2CC2)cc1	20155148	AHGUNSSQPASEOC-UHFFFAOYSA-N	221.256	1.601	10	40	BDCB	
CCc1c(C(N)=O)cnn1-c1ccc(N)cc1	32627365	RDIMYOATNXVQTI-UHFFFAOYSA-N	230.271	1.116	10	40	BDCB	
Oc1cc(C2OCCCO2)cc(O)c1O	1630482	FSLARYUEPYDFBP-UHFFFAOYSA-N	212.201	1.239	10	40	BDCB	
CCOC(=O)CN(CC)Cc1ccccc1O	95457055	PQYZODQXMQIIFM-UHFFFAOYSA-N	237.299	1.777	10	40	BDCB	
C/C=C/CC(=O)c1c(O)ccc(O)c1O	5132830	WGGOBKYQLMXALJ-NSCUHMNNSA-N	208.213	1.952	10	40	BDCB	
CCCCNC(=O)COc1ccc(N)cc1	20155104	QFRJAFLLNKKUQC-UHFFFAOYSA-N	222.288	1.564	10	40	BDCB	
Cc1ccc(C2=NNC(=O)CC2)c(O)c1	5542544	DIGVGLBAADTVFW-UHFFFAOYSA-N	204.229	1.315	10	40	BDCB	
Cc1cccc(C)c1N/C=C1\C=NNC1=O	100145503	FSEZDTSIGVIDGW-UXBLZVDNSA-N	215.256	1.715	10	40	BDCB	
Cc1cccc(/C=C2\SC(N)=NC2=O)c1	16905049	FJNDZSHIXSEBLR-TWGQIWQCSA-N	218.281	1.924	10	40	BDCB	
[O-][n+]1ccc(/N=N/c2cc[n+]([O-])cc2)cc1	18155377	YBOCAQWZUPHKGJ-VAWYXSNFSA-N	216.200	1.369	10	40	BDCB	
CCN(CC)c1ccc(CNCCCN)cc1	19736882	RNMAJBQTNXDUOK-UHFFFAOYSA-N	235.375	1.971	10	40	BDCB	
CCn1cc(/C=C2\SC(S)=NC2=O)cn1	2573445	RVPONRQKPHDOJM-CLTKARDFSA-N	239.325	1.803	10	40	BDCB	
N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	41027863	UHPPSCWPDXDGGW-NSHDSACASA-N	240.734	1.969	10	40	BDCB	in-vitro
CC1=NNC(=O)/C1=C/NCc1ccc(C)cc1	100151379	FOZDBLTUJKOIMX-XYOKQWHBSA-N	229.283	1.474	10	40	BDCB	
C[C@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CCC(=O)O	103612247	HGJUJPUCZZMEQY-BPTDKIDVSA-N	224.256	1.426	10	40	BDCB	
CN(C[C@@H]1CCOC1)c1ccc2c(c1)OCO2	95975343	WTDUBPOEMHAJQP-JTQLQIEISA-N	235.283	1.888	10	40	BDCB	
CN1C(=O)/C(=C/c2ccccn2)SC1=S	13284523	XPZIEOMDHVVXHE-VURMDHGXSA-N	236.321	1.913	10	40	BDCB	
N=C(N)c1cc(Sc2nccs2)ccn1	61814731	UEVOLAXAFOMFRA-UHFFFAOYSA-N	236.325	1.973	10	40	BDCB	in-vitro
Cc1ccc(C)c(C=C2C(=O)NC(=O)NC2=O)c1	15015574	DFHKZOMEZCFCNE-UHFFFAOYSA-N	244.250	1.053	10	40	BDCB	
O=C1CSC(=S)N1Cc1ccncc1	13283695	MHFBRFLJEVFRCE-UHFFFAOYSA-N	224.310	1.442	10	40	BDCB	
Oc1cccc(I)c1O	59636950	HUMAHCJCCNMIGP-UHFFFAOYSA-N	236.008	1.702	10	40	BDCB	
O=C1NN=C/C1=C\Nc1ccc(Cl)cc1	6554020	LWXSIZZHUASXEG-FNORWQNLSA-N	221.647	1.751	10	40	BDCB	
COC(=O)C[C@@H]1SC(=S)N(C(C)C)C1=O	219780816	QPUDCJVDKGMMNW-LURJTMIESA-N	247.341	1.187	10	40	BDCB	
O=C1C=CC(=O)N1/N=N/c1ccccc1	98074332	RLOAAAFMSIQOAL-VAWYXSNFSA-N	201.185	1.610	10	40	BDCB	
CC1(C)OC(=O)C(=Cc2ccco2)C(=O)O1	38674068	ITWROCGSIIYNKF-UHFFFAOYSA-N	222.196	1.499	10	40	BDCB	
CC1=NN(C)C(=O)/C1=C\c1ccncc1	575422109	FSPRGGSZYRLZRX-YFHOEESVSA-N	201.229	1.313	10	40	BDCB	
CC1(C)C(=CN=N)N(O)C(C)(C)N1O	1857524515	AFLKNKWCGGDIRB-UHFFFAOYSA-N	200.242	1.769	10	40	BDCB	
COc1cccc(CNCC(F)F)c1O	12395600	ADKRHSYGOCAFPO-UHFFFAOYSA-N	217.215	1.756	10	40	BDCB	
CCOC(=O)c1ccn(-c2ccc(N)cc2)n1	35452564	CQLZIUSOZQXZOK-UHFFFAOYSA-N	231.255	1.631	10	40	BDCB	in-vitro
Nc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1	20154964	DCGZOKPWIMAGFF-LBPRGKRZSA-N	234.299	1.107	10	40	BDCB	
CN(C)c1ccc([C@@H](N)C(=O)O)c2ccccc12	199810171	PHIRTLFFAOTGKX-CYBMUJFWSA-N	244.294	1.990	10	40	BDCB	
C[C@]12CC[C@H](C(=O)C1=O)[C@@]2(C)CC(=O)O	103612188	ONAMPECMKOSVMX-LIEZGIJOSA-N	210.229	1.036	10	40	BDCB	
Cc1n[nH]c(C)c1/N=N/c1[nH]cnc1C(N)=O	6187715	HHSGLXXMDRAIII-FOCLMDBBSA-N	233.235	1.264	10	40	BDCB	
COc1ccc(N(C)CCC(=O)O)cc1	14001751	OOGRVMLHHRFSLJ-UHFFFAOYSA-N	209.245	1.606	10	40	BDCB	
Oc1cc2c(cc1O)[C@@H](c1ccncc1)NCC2	16546118	TZBPVQNBIUPZMZ-CQSZACIVSA-N	242.278	1.728	10	40	BDCB	
NC1(c2ccccc2)C(=O)c2ccccc2C1=O	35181660	XLLQUFOSNVJSOH-UHFFFAOYSA-N	237.258	1.920	10	40	BDCB	
CN(C)c1ccc(C2N(C)CCN2C)cc1	19319204	KHHOTQAEURHKJZ-UHFFFAOYSA-N	219.332	1.628	10	40	BDCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\CCO	100148437	XOXOHKIDGHBCEM-WQLSENKSSA-N	230.267	1.718	10	40	BDCB	
N=C1NN=C[C@H](c2c(O)ccc3ccccc23)N1	36303	JMXZPEFPKWZSIO-SNVBAGLBSA-N	240.266	1.700	10	40	BDCB	
Cn1ccc(CNCc2ccc(O)cc2O)n1	20352562	SVRQAPFFESZMJZ-UHFFFAOYSA-N	233.271	1.121	10	40	BDCB	
CC(C)Cc1cc(C=S(C)(C)=O)ncn1	218795643	CNJXABGARWITBE-UHFFFAOYSA-N	226.345	1.369	10	40	BDCB	
COCCNC(=O)Nc1ccc(N)cc1	32626920	CVGFBZDBNKBGCX-UHFFFAOYSA-N	209.249	1.037	10	40	BDCB	in-vitro
[N-]=[N+]=NS(=O)(=O)c1ccccc1[N+](=O)[O-]	4921643	MNMURNLWLUKMSZ-UHFFFAOYSA-N	228.189	1.594	10	40	BDCB	in-vitro
CN1CCC/C1=C/C=C1\SC(=S)NC1=O	100123484	CVJBCVRBBBKQDB-IUNAMMOKSA-N	240.353	1.628	10	40	BDCB	
Nc1ccc(Cc2nc3ccc(N)nc3[nH]2)cc1	94263930	OVRSRCJFEZXHBM-UHFFFAOYSA-N	239.282	1.713	10	40	BDCB	
O=C1NN=C/C1=C/Nc1ccc(F)cc1F	95921840	QUNUPXXPZCSPTD-XQRVVYSFSA-N	223.182	1.376	10	40	BDCB	
Cn1ccc2c(C[C@@H](N)C(=O)O)cccc21	75143611	GANDSICLGWTHTL-SNVBAGLBSA-N	218.256	1.133	10	40	BDCB	
CNC[C@H](OC(C)C)c1ccc(O)c(O)c1	1593044	LRCGVYYVNKGKBM-LBPRGKRZSA-N	225.288	1.783	10	40	BDCB	
COc1ccc(N2CCCNC(=O)C2)cc1	20283805	KKOAKZDZAWZPEG-UHFFFAOYSA-N	220.272	1.022	10	40	BDCB	in-vitro
O=C1C(=O)[C@H]2[C@H]3C=C[C@H]4C3C3[C@H](CC[C@@H]32)[C@@H]14	104290504	MBDZNXZQYJZLTE-PYWFVRGISA-N	214.264	1.459	10	40	BDCB	
Cc1ccc(CN2CCOCC2)c(O)c1	31647991	NQDVYJAUXHJMKM-UHFFFAOYSA-N	207.273	1.533	10	40	BDCB	
CC(=O)NCc1ccc(N2CCN(C)CC2)cc1	49740605	QGCFPFHJTJCFFL-UHFFFAOYSA-N	247.342	1.075	10	40	BDCB	
CC1(O)CCN(c2ccc(N)cc2)CC1	88022424	JZZHRLBFDMHDPJ-UHFFFAOYSA-N	206.289	1.620	10	40	BDCB	
Cn1cc(/C=C2\SC(S)=NC2=O)cn1	6319663	NXOZOGKECYYNHH-KXFIGUGUSA-N	225.298	1.320	10	40	BDCB	
COC(=O)C1CCN(c2ccc(N)cc2)CC1	56895841	OEQSWCGRASUTKP-UHFFFAOYSA-N	234.299	1.658	10	40	BDCB	
Nc1ccc(Nc2ccc(O)c(C(=O)O)c2)nc1	19951272	NBSFOCDIXCUDAR-UHFFFAOYSA-N	245.238	1.811	10	40	BDCB	
CCN(C)/N=N\c1ccc(C(N)=O)cc1	104193269	MUAXPXOIJKSJQC-SEYXRHQNSA-N	206.249	1.736	10	40	BDCB	
C[C@H]1CN(c2ccc(N)cc2)C[C@H](C)N1	19797660	FPBFBURPCHKEKH-UWVGGRQHSA-N	205.305	1.455	10	40	BDCB	
CN1C(=O)N=C(O)/C(=C/C=C/c2ccco2)C1=O	16996282	WLYFXVUBKUTKOE-RXXVAJQJSA-N	246.222	1.768	10	40	BDCB	
Cn1ccnc1COc1ccc(N)cc1	31977532	ZDKSIKJGUOTJJK-UHFFFAOYSA-N	203.245	1.581	10	40	BDCB	in-vitro
CCCCN(C)/N=N\c1n[nH]cc1C(=O)OC	104096330	LNTUQGRLBQKYTA-YPKPFQOOSA-N	239.279	1.927	10	40	BDCB	
Nc1ccc(Oc2ccccc2CO)nc1	82505541	PGYMGURGMGGGJI-UHFFFAOYSA-N	216.240	1.948	10	40	BDCB	
CC(C)C(=O)C1C(=O)c2ccccc2C1=O	100228949	GWZHPSHQKPBGNN-UHFFFAOYSA-N	216.236	1.907	10	40	BDCB	
NCc1ccc(N2CCN3CCC[C@@H]3C2)cc1	20352244	YZPQCAYHQLFTKD-CQSZACIVSA-N	231.343	1.430	10	40	BDCB	
CC1(C)[C@@]2(C)CC[C@]1(C(=O)O)C(=O)C2=O	1811102	MFGSQXUNSUJWPZ-WDEREUQCSA-N	210.229	1.036	10	40	BDCB	
Cc1cc(N=Nc2cc[n+]([O-])c(C)c2)cc[n+]1[O-]	245204840	HZLHFTOHMXEBAB-UHFFFAOYSA-N	244.254	1.986	10	40	BDCB	
[N-]=[N+]=NCCN1C(=O)c2ccccc2C1=O	31517997	WHYPSHDXYZFTHJ-UHFFFAOYSA-N	216.200	1.593	10	40	BDCB	in-vitro
C[C@H](NC(=O)/N=N\c1ccccc1)C(=O)O	104072930	ZJWVEQMFWYJXEH-SCNVAVRDSA-N	221.216	1.953	10	40	BDCB	
Nc1ccc(NC(=O)c2cccc[n+]2[O-])cc1	57353718	UUJRIHIWMFEGCL-UHFFFAOYSA-N	229.239	1.155	10	40	BDCB	
COc1ccc([C@H](NN)c2ccccc2)c(O)c1	19265993	XWPOWZLKAWFKAX-CQSZACIVSA-N	244.294	1.954	10	40	BDCB	
N=C(N)C(/N=N\c1ccccc1)C(=N)N	100135446	DUTJFFGOOSJANZ-PFONDFGASA-N	204.237	1.011	10	40	BDCB	in-vitro
COc1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1	45886675	MAYOAUFEKRRZID-UHFFFAOYSA-N	241.203	1.578	10	40	BDCB	
NCc1c(O)cccc1Br	95775633	XUCPFRANUWBGNM-UHFFFAOYSA-N	202.051	1.613	10	40	BDCB	
COc1cccc(CNC[C@@H]2CCCO2)c1O	19963574	NEMILAVSJGVYEH-NSHDSACASA-N	237.299	1.669	10	40	BDCB	
Cc1cc(=O)c2c(o1)-c1cc(O)c(O)cc1OC2	13398212	QZZUHPUWIRSQPB-UHFFFAOYSA-N	246.218	1.919	10	40	BDCB	biogenic
CN1C[C@H]2CN(c3ccc(N)cc3)C[C@@H]2C1	26895939	BIKAXNVBMQFCNT-QWRGUYRKSA-N	217.316	1.267	10	40	BDCB	in-vitro
Oc1ccccc1C1=NN[C@](O)(C(F)(F)F)C1	187708	XBIXRQKLDQLKKB-SECBINFHSA-N	246.188	1.341	10	40	BDCB	
NC1=NC(=O)/C(=C\c2cccc(F)c2)S1	5632139	LVXWMVHIKQNFFL-VMPITWQZSA-N	222.244	1.755	10	40	BDCB	
C[C@@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CC(=O)O	103612196	ONAMPECMKOSVMX-MQOMDTIOSA-N	210.229	1.036	10	40	BDCB	
CC(C)=C1C(=O)NN(c2ccc(F)cc2)C1=O	59416944	DXBGYYGDOOJVNI-UHFFFAOYSA-N	234.230	1.540	10	40	BDCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NO	8553261	YGNRXUWALJNDHK-YRNVUSSQSA-N	231.255	1.580	10	40	BDCB	
CN(C)c1ccc([C@@H](O)Nc2ncccn2)cc1	5328682	IMGKCHWAEQETQY-GFCCVEGCSA-N	244.298	1.646	10	40	BDCB	
CN(Cc1ccccc1O)C(=O)C1CCOCC1	77258306	CRYLBACZHZNGIJ-UHFFFAOYSA-N	249.310	1.777	10	40	BDCB	
C[C@@H](NN)c1cc(Br)ccc1O	199537526	AVTXPYIZPHFTBN-RXMQYKEDSA-N	231.093	1.679	10	40	BDCB	
O=C1NC(=S)S/C1=C\NCc1ccco1	584906208	BTJVYOPMOOXZKR-ALCCZGGFSA-N	240.309	1.359	10	40	BDCB	
COc1ccc(N2CCN(C)CC2)cc1N	32013987	SYEDMDVIKBUJET-UHFFFAOYSA-N	221.304	1.029	10	40	BDCB	in-vitro
Cc1ccnc(COc2ccc(N)cc2)n1	82534955	BAPVAUPCSIAEAW-UHFFFAOYSA-N	215.256	1.946	10	40	BDCB	
CC(=O)N1CCO[C@@H]1c1ccccc1O	196879	KCTPOBUKUWLIDW-LLVKDONJSA-N	207.229	1.270	10	40	BDCB	
Nc1nc(N)c(/N=N\c2ccc(O)cc2)c(O)n1	104261972	SIFYQNPDFARNSH-NXVVXOECSA-N	246.230	1.468	10	40	BDCB	
COC(=O)c1ccccc1NC(=O)CN=[N+]=[N-]	102828600	BDTWTXFXDGRAEK-UHFFFAOYSA-N	234.215	1.722	10	40	BDCB	
CNC[C@@H](SC)c1ccc(O)c(O)c1	3953964	UJNDNLPDAZMWKI-SNVBAGLBSA-N	213.302	1.721	10	40	BDCB	in-vitro
Oc1ccccc1CNCc1ccnn1CCF	256054137	VBHPOLDZBFIASN-UHFFFAOYSA-N	249.289	1.848	10	40	BDCB	
Nc1ccc(CC(=O)NCc2ccco2)cc1	20154967	KFORBYYRECAUJE-UHFFFAOYSA-N	230.267	1.721	10	40	BDCB	
CCOc1ccc(N2CCCNCC2)cc1	42325565	ROJUAADFTVVSGD-UHFFFAOYSA-N	220.316	1.885	10	40	BDCB	
NS(=O)(=O)c1cc(Cl)cc(Cl)c1O	1635785	ZJLNEJARVJZSHY-UHFFFAOYSA-N	242.083	1.346	10	40	BDCB	
CN(Cc1nncn1C)c1ccc2c(c1)OCO2	95440750	KOESXELOQYVJJV-UHFFFAOYSA-N	246.270	1.180	10	40	BDCB	
CCCCN(C)/N=N/c1[nH]cnc1C(N)=O	17858767	MNYIKAMATCANTQ-BUHFOSPRSA-N	224.268	1.239	10	40	BDCB	
NCc1cc(O)c(O)c(Br)c1	212993328	MWGDALMAXVUUOF-UHFFFAOYSA-N	218.050	1.319	10	40	BDCB	
[N-]=[N+]=NCCN1C(=O)C(=O)c2ccccc21	39947492	RDUCNPFDDNUGSM-UHFFFAOYSA-N	216.200	1.526	10	40	BDCB	in-vitro
CC(C)(F)C(=O)NCc1ccc(O)c(O)c1	182533403	PHZHDCBALLPRPP-UHFFFAOYSA-N	227.235	1.462	10	40	BDCB	
Cc1ccn(CCOc2ccc(N)cc2)n1	70629224	AHJJRWHVKNSDGJ-UHFFFAOYSA-N	217.272	1.853	10	40	BDCB	
CCOc1ccc(N(C)CCC(=O)O)cc1	20133770	KINCBPPBINRRKU-UHFFFAOYSA-N	223.272	1.996	10	40	BDCB	
CC/C=C1\SC(/C(=C/CC)C(N)=O)=NC1=O	5385053	PQCKCPYZIJPBMO-YMBWGVAGSA-N	238.312	1.774	10	40	BDCB	
CN1C(=O)/C(=C\c2cccnc2)SC1=S	4733971	MUMFFWVQIVWRGH-VMPITWQZSA-N	236.321	1.913	10	40	BDCB	
CC(C)c1cc(C=S(C)(C)=O)ncn1	218795441	ILWFIFHDBSRZJA-UHFFFAOYSA-N	212.318	1.294	10	40	BDCB	
Oc1ccc(F)cc1CNC[C@@H]1CCCO1	83353906	MPOZDENTUAXJQX-NSHDSACASA-N	225.263	1.800	10	40	BDCB	
COC(=O)c1n[nH]c(C(C)C)c1/N=N/N(C)C	18130139	JRZJIRHQQNYGSS-BUHFOSPRSA-N	239.279	1.880	10	40	BDCB	
O=C1NN=C/C1=C/Nc1ccc([N+](=O)[O-])cc1	95921841	WKZRCOKBOUFSBS-ALCCZGGFSA-N	232.199	1.006	10	40	BDCB	
COc1cc(Br)cc(CN)c1O	39321066	OVBQRCUNDISSHK-UHFFFAOYSA-N	232.077	1.622	10	40	BDCB	
Nc1ccc(CC(=O)n2cccc2)cc1	225396320	UWCWRAPYXDCZFW-UHFFFAOYSA-N	200.241	1.953	10	40	BDCB	
COc1ccccc1N[C@H]1SC(=O)NC1=O	4063996	VDYJGLKBDHNTPC-VIFPVBQESA-N	238.268	1.416	10	40	BDCB	
O=Cc1ccc(/C=C2\SC(=S)NC2=O)cc1	12695002	QSCTZTIMXSIZQE-UITAMQMPSA-N	249.316	1.988	10	40	BDCB	
O=C(O)c1cc2ccccc2c(O)c1O	1611750	BMHCSEJDJONPSF-UHFFFAOYSA-N	204.181	1.949	10	40	BDCB	
COC(=O)c1cc2ccccc2c(N)c1O	35166	XGJTYRCNXRHFJV-UHFFFAOYSA-N	217.224	1.914	10	40	BDCB	
CN(C)Cc1c(O)cc(F)c(F)c1F	2540352	MPHZDBWEYMJVTK-UHFFFAOYSA-N	205.179	1.871	10	40	BDCB	
Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1	8732386	BDCORHLZFNUWKM-UHFFFAOYSA-N	224.647	1.576	10	40	BDCB	
CN1C(=O)N/C(=C/c2ccc(N(C)C)cc2)C1=O	4677119	AAJGGYQVYUHWJS-DHZHZOJOSA-N	245.282	1.275	10	40	BDCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NO	5342539	YEEDBNJRBKCICM-GHXNOFRVSA-N	245.282	1.889	10	40	BDCB	
CC(C)=C1C(=O)NN(c2ccc(C)cc2)C1=O	3158421	OGHMHLPNFMBERF-UHFFFAOYSA-N	230.267	1.709	10	40	BDCB	
CN(C)c1ccc([C@@H](CN)N2CCCC2)cc1	32497025	OMAOMESBLDANMZ-CQSZACIVSA-N	233.359	1.848	10	40	BDCB	
C[C@@H]1CCN(CCOc2ccc(N)cc2)C1	40716928	YLHBEZCQRXWMKK-LLVKDONJSA-N	220.316	1.989	10	40	BDCB	in-vitro
N[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1O	199809691	QVNXIXORXUHJGB-ZCFIWIBFSA-N	236.054	1.783	10	40	BDCB	
O=C1OC(c2ccccc2)=N/C1=C1/CCCCN1	98211041	UMKAXLKUQPJSLU-QXMHVHEDSA-N	242.278	1.975	10	40	BDCB	
CC1(C)[C@@H]2C(=O)C(=O)[C@@]1(C)C[C@H]2Br	101023035	NSQRXUZZUKISSB-GOZTUDAPSA-N	245.116	1.954	10	40	BDCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1N=N	59662798	PJHNTUNSWGXBKZ-VIFPVBQESA-N	202.217	1.809	10	40	BDCB	
Oc1ccccc1[C@@H]1NCCc2nc[nH]c21	1583003	BQHJAVKUXUYTOB-NSHDSACASA-N	215.256	1.350	10	40	BDCB	
COc1ccc(N/C=C2\C(=O)NN=C2C)cc1	95921850	SIKCTZOCSDYCFL-XFFZJAGNSA-N	231.255	1.497	10	40	BDCB	
CCC/C(C)=C1\SC(=S)N(CO)C1=O	40541592	VSFWDRKIMIRBEZ-SREVYHEPSA-N	231.342	1.871	10	40	BDCB	
CCOC(=O)N1CCN(c2ccc(N)cc2)CC1	32911286	YMOGSBUAJSYWPC-UHFFFAOYSA-N	249.314	1.547	10	40	BDCB	
COCCNCc1cccc(OC)c1O	4700250	KPPQBZJKUBPMLL-UHFFFAOYSA-N	211.261	1.137	10	40	BDCB	
CC(C)C(=O)NC(=S)Nc1ccc(N)cc1	226237734	IGLGOIUNJPDCFX-UHFFFAOYSA-N	237.328	1.738	10	40	BDCB	
COC(=O)c1n[nH]c(C)c1/N=N\N(C)C	104106101	XJMYIVKYJZOXSO-QXMHVHEDSA-N	211.225	1.065	10	40	BDCB	
CCn1nccc1CNCc1ccccc1O	20352502	CXFIRKDBFWFKKI-UHFFFAOYSA-N	231.299	1.898	10	40	BDCB	
COc1ccc(N2CCC(N)CC2)cc1	19424283	LLQPZJOXQGVEEQ-UHFFFAOYSA-N	206.289	1.623	10	40	BDCB	in-vitro
O=C(O)c1ccc(O)c(CN2CCCC2)c1	96530260	STBALJRTAKYQTJ-UHFFFAOYSA-N	221.256	1.686	10	40	BDCB	
Oc1ccccc1CNCc1ccn(CCF)n1	256051561	JQDFYZFMVOOYJT-UHFFFAOYSA-N	249.289	1.848	10	40	BDCB	
CN1C(=O)/C(=C/c2ccc[nH]2)SC1=S	1156714	WAEVPGVPMXQYCA-ALCCZGGFSA-N	224.310	1.846	10	40	BDCB	
CCN[C@H](C)[C@H](O)c1ccc(O)c(O)c1	1999314	OHDICGSRVLBVLC-HQJQHLMTSA-N	211.261	1.129	10	40	BDCB	in-man
Nc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	100940126	AJRWOGFXRKTRBR-TXEJJXNPSA-N	242.278	1.724	10	40	BDCB	
CCCCS(=O)(=O)Nc1ccc(O)cc1	11566485	RACBQYWVYPUGKT-UHFFFAOYSA-N	229.301	1.934	10	40	BDCB	
CN(C)c1ccc(/N=N/c2nn[nH]n2)cc1	6247468	GMOFNOXLIAJMDU-ZHACJKMWSA-N	217.236	1.681	10	40	BDCB	
N[C@H](CC(=O)O)c1cc(F)cc(F)c1O	44219925	JQBRAFTUXXZQOT-SSDOTTSWSA-N	217.171	1.145	10	40	BDCB	
[O-][n+]1onc2cc(Cl)c3nsnc3c21	3634644	RKKWBVYTJDOPAS-UHFFFAOYSA-N	228.620	1.119	10	40	BDCB	
COc1ccc(O)c(CN2CCOCC2)c1	23280645	VXTYVOHMIICXCC-UHFFFAOYSA-N	223.272	1.233	10	40	BDCB	
COc1ccc(N/C=C2/C=NNC2=O)cc1	100363659	KJEBLRAXKOYFBR-VURMDHGXSA-N	217.228	1.107	10	40	BDCB	
O=C1c2ccccc2C(=O)[C@]23O[C@@]12[C@@H]1C=C[C@H]3C1	104288294	LMLDBOKXWROXSX-QTGCHDBNSA-N	238.242	1.779	10	40	BDCB	
COc1cc(C(=O)O)cc(CN(C)C)c1O	225723154	BKEZHKGWCJDZKC-UHFFFAOYSA-N	225.244	1.161	10	40	BDCB	
O=C(O)c1ccc(/N=N/N2CCOCC2)cc1	306208	LYXNLRWQOCAEPG-OUKQBFOZSA-N	235.243	1.716	10	40	BDCB	
C[S@@](=O)CCNCc1ccc2c(c1)CCO2	72286928	XROBFRHCVBNVKW-INIZCTEOSA-N	239.340	1.090	10	40	BDCB	
CN(C)CCC(=O)Nc1ccc(N)cc1	20283289	VKAVYGKNHRWNLO-UHFFFAOYSA-N	207.277	1.159	10	40	BDCB	in-vitro
CC(C)(C)OC(=O)COc1ccc(N)cc1	20155091	PILOEPGCXYIQGI-UHFFFAOYSA-N	223.272	1.989	10	40	BDCB	
COc1ccc([C@H](O)[C@@H](N=[N+]=[N-])C(=O)O)cc1	100638079	MSVJCKMPSJGBAQ-BDAKNGLRSA-N	237.215	1.492	10	40	BDCB	
CC(C)N1C(=O)[C@H](CC(=O)O)SC1=S	96223237	ZTEBWNHCGWEERD-YFKPBYRVSA-N	233.314	1.098	10	40	BDCB	
COc1ccc(N2CCC[C@@H](C(=O)O)C2)cc1	59726341	QWIPFJSFUOANAO-SNVBAGLBSA-N	235.283	1.996	10	40	BDCB	
C[C@]1(CC(=O)O)[C@H]2CC[C@@]1(C)C(=O)C2=O	108359610	ONAMPECMKOSVMX-CYUDJLOBSA-N	210.229	1.036	10	40	BDCB	
CC(C)OC(=O)COc1ccc(N)cc1	20155081	WQGYFHWEWZZICG-UHFFFAOYSA-N	209.245	1.599	10	40	BDCB	
C[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1	20155121	QXWZVZRAOHETDD-NSHDSACASA-N	248.326	1.906	10	40	BDCB	
CC(C)[C@H]1CNCCN1Cc1ccccc1O	72233406	PTRADNMFWMJWBG-CYBMUJFWSA-N	234.343	1.822	10	40	BDCB	
CN1C=CC=C/C1=C1\SC(=S)NC1=O	100269068	BKUSMEWHMSYCBV-VOTSOKGWSA-N	224.310	1.361	10	40	BDCB	
CCO/C=C1/SC(=S)N(C)C1=O	2044108	WUNAISWDRMFJMY-SNAWJCMRSA-N	203.288	1.354	10	40	BDCB	
NN1C(=O)/C(=C/c2ccccn2)SC1=S	16904993	SYIFNDXJSZRGRT-ALCCZGGFSA-N	237.309	1.157	10	40	BDCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/N(C)C	100251224	ZKMQJGARZNSQNV-FMIVXFBMSA-N	229.283	1.855	10	40	BDCB	
N[C@@H](CC(=O)O)c1ccc(N2CCCC2)cc1	44220166	KHNJCBTXZJYHOR-LBPRGKRZSA-N	234.299	1.761	10	40	BDCB	
COC(=O)C1=C(C)NC(=O)/C1=C\c1cccnc1	112475	VKUHAUAAMRRPNW-POHAHGRESA-N	244.250	1.042	10	40	BDCB	
O=C(O)c1ccccc1/N=N/c1ncn[nH]1	6863731	DJRWJDVPZZIFBL-WYMLVPIESA-N	217.188	1.918	10	40	BDCB	
CCCC(=O)C(=O)c1ccc(O)c(C)c1O	1561428	UFCLJUUVSAEUKM-UHFFFAOYSA-N	222.240	1.958	10	40	BDCB	
Nc1ccc(Cc2nnc3ncccn23)cc1	36827916	XWMFJHBJYMUKND-UHFFFAOYSA-N	225.255	1.297	10	40	BDCB	in-vitro
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N=[N+]=[N-]	32098843	QMZWXYPIPIISBG-JGVFFNPUSA-N	242.279	1.931	10	40	BDCB	
C[C@@H](O)CN(C)Cc1cccc(Cl)c1O	130741136	IGURAORCGKOJCX-MRVPVSSYSA-N	229.707	1.858	10	40	BDCB	
CC(=O)Oc1ccc(C(=O)C(C)=O)cc1	3272284	NSUGAUYXDYCFCL-UHFFFAOYSA-N	206.197	1.384	10	40	BDCB	
CCOC(=O)CN(C)/N=N\c1cccnc1	104127155	WUOSKVVLSGOXRB-SEYXRHQNSA-N	222.248	1.575	10	40	BDCB	
COC(=O)[C@@H]1CCCN1c1ccc(N)cc1	118660079	UVYAMFCSPVRORS-NSHDSACASA-N	220.272	1.411	10	40	BDCB	
CN(/N=N/c1nc[nH]c1C(N)=O)C(C)(C)C	1697623	AAJDSRGHNWBKQN-BUHFOSPRSA-N	224.268	1.238	10	40	BDCB	
NC[C@H]1CCN(c2ccc3c(c2)OCCO3)C1	11891743	CUDVHSHFVDIMJL-SNVBAGLBSA-N	234.299	1.243	10	40	BDCB	
CCCS(=O)(=O)Nc1ccc(O)cc1	2638131	ZCSHAWXBOQBJSG-UHFFFAOYSA-N	215.274	1.544	10	40	BDCB	
COc1ccc2c(c1O)[C@H](C)NC[C@H]2O	24717751	OHAUTXAZGQEZHA-POYBYMJQSA-N	209.245	1.098	10	40	BDCB	
COC[C@@H](C)OC(=O)Cc1ccc(N)cc1	20154904	WNAKAQFAQUGPBE-SECBINFHSA-N	223.272	1.389	10	40	BDCB	
OCCn1cc(NCc2ccccc2O)cn1	238199779	XWZSNVHDFPHLQO-UHFFFAOYSA-N	233.271	1.193	10	40	BDCB	
O=[N+]([O-])c1ccc(/N=N\N2CCOC2)cc1	104241533	PLRYHBWMQGYCHE-KHPPLWFESA-N	222.204	1.883	10	40	BDCB	
CC(C)(C)NS(=O)(=O)Cc1ccc(N)cc1	21792559	BZPPMSVURHKZJS-UHFFFAOYSA-N	242.344	1.487	10	40	BDCB	
CN(C)c1ccc(CNN)c2ccccc12	89211678	FYWQXZKODACSPD-UHFFFAOYSA-N	215.300	1.869	10	40	BDCB	
CN(Cc1ccccc1O)c1ncc(F)cn1	89635652	BEVKEZYNFSDEGW-UHFFFAOYSA-N	233.246	1.958	10	40	BDCB	
Cn1ccnc1CCc1ccc(N)cc1	19735544	NOPYXJUVZFSLBA-UHFFFAOYSA-N	201.273	1.788	10	40	BDCB	in-vitro
C[n+]1ccc(/C=C/Nc2ccccn2)cc1	17429464	AIGRLCMIORQJQO-UHFFFAOYSA-O	212.276	1.989	10	40	BDCB	
Cc1[nH]c2ccccc2c1/C=C1/NC(=O)NC1=O	1097023	XVHABIBTPURCEY-IZZDOVSWSA-N	241.250	1.657	10	40	BDCB	
CCN(c1ccc(OC)cc1)[C@@H](C)C(=O)O	224997761	LXDVRGOSDFULBB-VIFPVBQESA-N	223.272	1.995	10	40	BDCB	
CCc1ccc(N2NC(=O)C(=C(C)C)C2=O)cc1	53730	PRDMJQMOQXWTAP-UHFFFAOYSA-N	244.294	1.963	10	40	BDCB	
O=[N+]([O-])c1c(Cl)cc2c(no[n+]2[O-])c1Cl	4658752	VFVBUAYFMHGWJO-UHFFFAOYSA-N	249.997	1.676	10	40	BDCB	
Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1	8030980	WTLKZCHODLBPMW-UHFFFAOYSA-N	245.326	1.327	10	40	BDCB	
Oc1ccc([C@@H](O)[C@H]2CCCCN2)cc1O	4635545	IYMMESGOJVNCKV-BXKDBHETSA-N	223.272	1.273	10	40	BDCB	biogenic,in-vitro
CN(C)C(=O)[C@H]1CCCN1c1ccc(N)cc1	36132157	JBOINVRMADICHV-GFCCVEGCSA-N	233.315	1.326	10	40	BDCB	
COC(=O)Cc1nnc2ccc(Cl)cc2n1	16189867	PMUFKZLOLJYCFU-UHFFFAOYSA-N	237.646	1.394	10	40	BDCB	
Nc1ccc(N2N=C(N3CCCC3)CC2=O)cc1	1579200	JRZNCVVXDWABEX-UHFFFAOYSA-N	244.298	1.415	10	40	BDCB	
CC(C)C(=O)NC1=NN(c2ccccc2)C(=O)C1	8906523	JSDWHSBATUWGMW-UHFFFAOYSA-N	245.282	1.509	10	40	BDCB	
COc1cccc(NC(=O)CN=[N+]=[N-])c1	100035901	NPGNXTGYBHDUJL-UHFFFAOYSA-N	206.205	1.944	10	40	BDCB	
O=C1CSC(=S)N1c1ccccc1O	1297982	GZZQBXSBVQPQNY-UHFFFAOYSA-N	225.294	1.757	10	40	BDCB	
Oc1ccc(C(=S)N2CCOCC2)cc1O	39177	HZWBGACCXATQKL-UHFFFAOYSA-N	239.296	1.106	10	40	BDCB	
COc1ccc2c(c1O)CN(C(C)=O)CC2	3847357	SITIZBMFNXQLOX-UHFFFAOYSA-N	221.256	1.305	10	40	BDCB	biogenic
CN(C)Cc1cccc(CN(C)C)c1O	1670756	VUENIEFVRKDJAS-UHFFFAOYSA-N	208.305	1.515	10	40	BDCB	
CNC(=O)c1sc2ncccc2c1O	8717090	WKHVEIAEIKGVCC-UHFFFAOYSA-N	208.242	1.362	10	40	BDCB	
Cc1cccc(CN(C)C[C@H](C)O)c1O	130824528	TZPVPRBJRJDMNT-JTQLQIEISA-N	209.289	1.513	10	40	BDCB	
OCc1cc(O)c(O)c(Br)c1	2573858	VKMNUQABTPJNTP-UHFFFAOYSA-N	219.034	1.353	10	40	BDCB	biogenic
[N-]=[N+]=CC(=O)CCNC(=S)Nc1ccccc1	4794631	HCWCDWBPAGYASS-UHFFFAOYSA-N	248.311	1.233	10	40	BDCB	
Oc1cc2c(cc1O)[C@H](c1ccncc1)NCC2	16546117	TZBPVQNBIUPZMZ-AWEZNQCLSA-N	242.278	1.728	10	40	BDCB	
COC(=O)c1ccc(/N=N\N(C)CO)cc1	100532344	BLAFWWCVPZFQTO-QXMHVHEDSA-N	223.232	1.354	10	40	BDCB	
CC(C)CCNC(=O)Cc1ccc(N)cc1	19390486	FLOUQCSVDLQUQA-UHFFFAOYSA-N	220.316	1.974	10	40	BDCB	
O=C1c2ccoc2C(=O)c2oc(=O)ccc21	1593954	HKQPXEAYQPNPHV-UHFFFAOYSA-N	216.148	1.008	10	40	BDCB	biogenic,in-vitro
Cc1[nH]c2ccccc2[n+]1C(=O)CCC(=O)O	8535819	XEFBNMOTENHCRG-UHFFFAOYSA-O	233.247	1.269	10	40	BDCB	
CN(C)c1ccc(/C=C2/NC(=O)NC2=S)cc1	5333904	LMPWRSKYMWDMBH-JXMROGBWSA-N	247.323	1.734	10	40	BDCB	
CCCC[C@H](C(=O)O)N1C(=O)CSC1=S	1786691	KOGSLEYVUWTRIX-ZCFIWIBFSA-N	247.341	1.490	10	40	BDCB	
C[C@]1(CCC(=O)O)[C@@H]2CC[C@@]1(C)C(=O)C2=O	108359655	HGJUJPUCZZMEQY-MKCWBWRRSA-N	224.256	1.426	10	40	BDCB	
C[C@@H](N)c1ccc(N2CCOCC2)c(F)c1	19871967	JDSRROMWZKAWMB-SECBINFHSA-N	224.279	1.682	10	40	BDCB	
COc1nn(C)cc1NCc1ccccc1O	256053516	RTNNORMWWQJWQY-UHFFFAOYSA-N	233.271	1.746	10	40	BDCB	
CN(C)c1ccc(CN2C[C@H]3CCN[C@H]3C2)cc1	96054074	SGOYOSDWFYUAGY-HIFRSBDPSA-N	245.370	1.546	10	40	BDCB	
CC1=NNC(=O)/C1=C\Nc1ccccc1	95921848	MMCABCIWACLBDT-YFHOEESVSA-N	201.229	1.488	10	40	BDCB	
CN(C)C(=O)CCOc1ccc(N)cc1	37897526	WKWFUDUYKKBNMS-UHFFFAOYSA-N	208.261	1.126	10	40	BDCB	
CN1CCC(N(C)c2ccc(N)cc2)CC1	19259796	GHNDYFMUVKHEHF-UHFFFAOYSA-N	219.332	1.799	10	40	BDCB	in-vitro
CCN1CCN(c2ccc(CN)cc2F)CC1	20469738	ONYJFOAYHDGOFX-UHFFFAOYSA-N	237.322	1.426	10	40	BDCB	in-vitro
Oc1ccc2ccccc2c1CNn1cnnc1	793988	DLTYYNVEUOHNQQ-UHFFFAOYSA-N	240.266	1.881	10	40	BDCB	
O=C(O)c1cc(/N=N\c2ncn[nH]2)ccc1O	104167662	RPYASWUZCFPBJY-OWBHPGMISA-N	233.187	1.624	10	40	BDCB	
CN(C)c1ccc([C@H]2NCCCN2C)cc1	19322850	UVJCDXILFCXERS-ZDUSSCGKSA-N	219.332	1.676	10	40	BDCB	
[N-]=[N+]=NCCC(=O)NCc1ccc2c(c1)OCO2	2037853960	USEMQDZSNXGAOV-UHFFFAOYSA-N	248.242	1.732	10	40	BDCB	
CCc1cc(=O)oc2cc(O)c(O)cc12	8764858	ISESONVYWLLDIF-UHFFFAOYSA-N	206.197	1.767	10	40	BDCB	biogenic
Cn1ccc2c(C[C@H](N)C(=O)O)cccc21	75143608	GANDSICLGWTHTL-JTQLQIEISA-N	218.256	1.133	10	40	BDCB	
O=C1CSC(=S)N1C[C@@H]1CCCO1	1465867	SHTKEHNWPGRDGH-LURJTMIESA-N	217.315	1.026	10	40	BDCB	
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-]	32098845	QMZWXYPIPIISBG-SFYZADRCSA-N	242.279	1.931	10	40	BDCB	
CN(CCO)c1ccc(/C=C/C(=O)O)cc1	44201245	PGHQXDRXPGXMIS-QPJJXVBHSA-N	221.256	1.213	10	40	BDCB	
Oc1ccccc1CNCCn1ccnc1	41050913	IWNILFHPEHJARA-UHFFFAOYSA-N	217.272	1.379	10	40	BDCB	
CC(C)N1CCO[C@@H](c2ccc(O)c(O)c2)C1	25421592	SUYJAACXNVNFGP-CYBMUJFWSA-N	237.299	1.880	10	40	BDCB	in-vivo
O=C1CSC(=S)N1c1cccnc1	3887212	KSXXJFQERZBGMI-UHFFFAOYSA-N	210.283	1.446	10	40	BDCB	in-vitro
Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	35186159	PBXAKOQQFUMWLR-NSHDSACASA-N	235.287	1.569	10	40	BDCB	in-vitro
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)C=[N+]=[N-]	71790986	FADVKNFSLDTPFW-MRVPVSSYSA-N	239.275	1.256	10	40	BDCB	
CN1C(=O)/C(=C\c2ccc[nH]2)C(O)=NC1=S	18102677	VUPNDFVRTODVFC-ALCCZGGFSA-N	235.268	1.112	10	40	BDCB	
CN(C)C(=O)[n+]1ccc2ccccc2c1	408792	ZKRKMNZIJZOQDZ-UHFFFAOYSA-N	201.249	1.657	10	40	BDCB	
CC(C)(/N=N/C(C)(C)C(=O)O)C(=O)O	104203691	VBZBISQOWJYWCC-MDZDMXLPSA-N	202.210	1.165	10	40	BDCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\O	101449665	IVKYQKRWXQIXHB-YFHOEESVSA-N	202.213	1.851	10	40	BDCB	
COc1ccc([C@@H](O)[C@H](N=[N+]=[N-])C(=O)O)cc1	100638077	MSVJCKMPSJGBAQ-DTWKUNHWSA-N	237.215	1.492	10	40	BDCB	
NC1=NC(=O)/C(=C/c2cccc(O)c2)S1	2458515	MPYQWLFVOUTVNJ-YVMONPNESA-N	220.253	1.321	10	40	BDCB	
COc1ccc(N2CCC(C(=O)O)CC2)cc1	59726345	KORJAGBJOHCZCU-UHFFFAOYSA-N	235.283	1.996	10	40	BDCB	
CCOC(=O)CN(C)/N=N/c1cccnc1	17837793	WUOSKVVLSGOXRB-OUKQBFOZSA-N	222.248	1.575	10	40	BDCB	
[N-]=[N+]=CC(=O)c1ccc(Br)cc1	13543602	MZAAXPJDNXWVJS-UHFFFAOYSA-N	225.045	1.932	10	40	BDCB	
O=C1CSC(=S)N1C1CCCC1	2799269	PRPQDDJNWKHCMJ-UHFFFAOYSA-N	201.316	1.789	10	40	BDCB	
Nc1ccc(CN2CCCCC2=O)cc1	4245358	ANNJOSFXNLDQDH-UHFFFAOYSA-N	204.273	1.781	10	40	BDCB	
Cc1nc(C=S(C)(C)=O)cc(CC(C)C)n1	218794656	IYUAWHIBWSTAAJ-UHFFFAOYSA-N	240.372	1.678	10	40	BDCB	
COc1ccc2c(c1)C[C@H](CN)CN2C	82932994	ZCSDGXTUIOQXKM-SECBINFHSA-N	206.289	1.262	10	40	BDCB	
CCOC(=O)CN(C)c1ccc2c(c1)OCO2	89983714	MHAYFDWJFQJXOK-UHFFFAOYSA-N	237.255	1.415	10	40	BDCB	
COC(=O)C1=C(C)NC(=O)/C1=C\c1ccco1	4833067	BDBMRIPVHSVQIY-TWGQIWQCSA-N	233.223	1.240	10	40	BDCB	
C[C@]1(O)C[C@H](c2ccccc2O)Nc2ncnn21	57509463	QFABZDBFNAXMAX-SKDRFNHKSA-N	246.270	1.206	10	40	BDCB	
COC(=O)CCN(C(C)=O)c1ccc(N)cc1	2271819	GYUHFLKVQOIMBV-UHFFFAOYSA-N	236.271	1.185	10	40	BDCB	
C[Si]1(C)CCCCC2(C1)C(=O)NNC2=O	195761034	ZENWFFFAWVIMST-UHFFFAOYSA-N	226.352	1.026	10	40	BDCB	
Oc1ccccc1C1=NN[C@@](O)(C(F)(F)F)C1	187705	XBIXRQKLDQLKKB-VIFPVBQESA-N	246.188	1.341	10	40	BDCB	
CCOC(=O)Cc1nnc2ccc(C)cc2n1	16682901	GHWRZVWYPRIWMJ-UHFFFAOYSA-N	231.255	1.439	10	40	BDCB	
Cc1cccc(CN(C)C[C@@H](C)O)c1O	130824316	TZPVPRBJRJDMNT-SNVBAGLBSA-N	209.289	1.513	10	40	BDCB	
NC1=NC(=O)/C(=C/c2ccccc2F)S1	2458527	RYNVGBXQNNKOSG-YVMONPNESA-N	222.244	1.755	10	40	BDCB	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	20154952	MGSJYCNPVNAWPJ-GHMZBOCLSA-N	248.326	1.447	10	40	BDCB	
C[C@]1(CCC(=O)O)[C@H]2CC[C@@]1(C)C(=O)C2=O	108359658	HGJUJPUCZZMEQY-QILRFPOHSA-N	224.256	1.426	10	40	BDCB	
Cn1nccc1CNCc1ccccc1O	20352500	FRWYNGDNUSSRBY-UHFFFAOYSA-N	217.272	1.416	10	40	BDCB	
[N-]=[N+]=NS(=O)(=O)c1ccc2c(c1)CCO2	34669676	KOEZLXZQPXXDQB-UHFFFAOYSA-N	225.229	1.621	10	40	BDCB	in-vitro
CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)C(=O)C2=O	100150980	MFGSQXUNSUJWPZ-QWRGUYRKSA-N	210.229	1.036	10	40	BDCB	
C[C@H](C(=O)Nc1ccc(N)cc1)n1cncn1	20283268	JIILXZLKCRZMIC-MRVPVSSYSA-N	231.259	1.060	10	40	BDCB	in-vitro
CCCNC(=O)Cc1ccc(O)c(O)c1	39096895	RQOSYKDYTXPDRK-UHFFFAOYSA-N	209.245	1.167	10	40	BDCB	
C/C=C/[C@H]1NCCc2cc(O)c(O)cc21	16137327	YPVNAXBRRYUCCS-VMZHVLLKSA-N	205.257	1.861	10	40	BDCB	
CC(C)CN(C)/N=N/c1nc[nH]c1C(N)=O	18115004	OMSNHZZGDKCVAY-BUHFOSPRSA-N	224.268	1.095	10	40	BDCB	
NCCc1nc(-c2ccc(O)c(O)c2)cs1	256028238	ZXKDFYDSHJMFSI-UHFFFAOYSA-N	236.296	1.723	10	40	BDCB	
COc1ccc(OC)c(NC(=O)CN=[N+]=[N-])c1	95798335	DIGWNXAEOANSID-UHFFFAOYSA-N	236.231	1.953	10	40	BDCB	
C[C@@H]1CN(c2ccc(CN)cc2F)C[C@@H](C)O1	20469586	RQXUTJPPGWZYLD-NXEZZACHSA-N	238.306	1.898	10	40	BDCB	in-vitro
CC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])[C@H](O)C1	78502990	FJCGXBAKIMNIDC-JGVFFNPUSA-N	242.279	1.667	10	40	BDCB	
O=C1C(=O)C2[C@@H]3C4C5[C@H](C1[C@H]4[C@H]1C[C@H]31)[C@@H]1C[C@H]1[C@@H]25	104290509	KPZGVZVLGTZKGK-JYDIHXBUSA-N	240.302	1.394	10	40	BDCB	
CC(=O)O[C@@H]1C[C@H]2C(=O)C(=O)[C@]1(C)C2(C)C	1636568	IBRVHONNJUWZOO-JOAULVNJSA-N	224.256	1.122	10	40	BDCB	
NN1C(=O)/C(=C/c2ccsc2)SC1=S	1006708	DTABQLVLGBDZMW-UTCJRWHESA-N	242.350	1.823	10	40	BDCB	
Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1	36283920	UJKATHBULMRPFK-UHFFFAOYSA-N	240.206	1.530	10	40	BDCB	
Oc1ccccc1CNCc1cnn(CCF)c1	256053313	QYEQFXBKKRXVCZ-UHFFFAOYSA-N	249.289	1.848	10	40	BDCB	
C[C@H](O)CN(C)Cc1cccc(Cl)c1O	130740934	IGURAORCGKOJCX-QMMMGPOBSA-N	229.707	1.858	10	40	BDCB	
COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1	5004626	WGMMTPWFPUPFKG-UHFFFAOYSA-N	213.218	1.694	10	40	BDCB	
CN(C)/N=N/c1ccc(NC(N)=O)cc1	17918908	WWLYEGGJHPBBAE-OUKQBFOZSA-N	207.237	1.738	10	40	BDCB	
O=C1N=C(Oc2ccccc2)SC1=O	1568197	URDJESGXEAGWDY-UHFFFAOYSA-N	207.210	1.221	10	40	BDCB	
O=C1C(=O)C2[C@H]3CC[C@@H]4C1[C@H]1CC[C@H]2C1C43	100940732	KFPQILVZXPVTDW-MLPKDMOTSA-N	216.280	1.683	10	40	BDCB	
Cc1nonc1/N=N/Nc1nonc1C	16121522	DVQVXXNQKPQAIY-UHFFFAOYSA-N	209.169	1.180	10	40	BDCB	
Nc1ccc(-n2nnnc2C(F)(F)F)cc1	72226550	LXRKUKHAKBCREZ-UHFFFAOYSA-N	229.165	1.263	10	40	BDCB	
CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	20551010	IJNDITLNFKBOTC-SNVBAGLBSA-N	238.306	1.943	10	40	BDCB	
CCCc1cc(C=S(C)(C)=O)nc(C)n1	218794542	SDFYFDXKPNQVCA-UHFFFAOYSA-N	226.345	1.432	10	40	BDCB	
NC1=NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1	2458538	XAAJPLDVJNMAIC-YVMONPNESA-N	248.263	1.314	10	40	BDCB	
COc1cc(N)c(N2CCOCC2)c(Cl)c1	45957695	BRSIXYBVJOWCSX-UHFFFAOYSA-N	242.706	1.767	10	40	BDCB	
CCc1nnc(SCc2ccc(N)cc2)n1N	20396347	XFIXBOBIUDDKER-UHFFFAOYSA-N	249.343	1.429	10	40	BDCB	
COc1ccc2c(c1O)[C@@H](C)NC[C@@H]2O	24717754	OHAUTXAZGQEZHA-SVRRBLITSA-N	209.245	1.098	10	40	BDCB	
Cc1nn(C)cc1NCc1ccc(O)cc1O	20352786	SKVXXCVZARSWFM-UHFFFAOYSA-N	233.271	1.752	10	40	BDCB	
CN(C)Cc1cc(O)c(O)c(CN(C)C)c1	1671223	GRBCQHDFWCSCPX-UHFFFAOYSA-N	224.304	1.221	10	40	BDCB	in-vitro
COc1ccc(N2CC[C@@H](CO)C2)cc1	11892958	PFJUHUNKVLCGRR-SNVBAGLBSA-N	207.273	1.514	10	40	BDCB	in-vitro
COC(=O)c1cc(O)c(O)c(Cl)c1	44547408	SWRZROKGZUCAQN-UHFFFAOYSA-N	202.593	1.538	10	40	BDCB	
CN(C)/N=N/c1cccc(NC(N)=O)c1	18157873	VDQUOTQDDGGJKW-OUKQBFOZSA-N	207.237	1.738	10	40	BDCB	
O=[N+]([O-])c1ccc(/N=N/N2CCOC2)cc1	17142327	PLRYHBWMQGYCHE-ZHACJKMWSA-N	222.204	1.883	10	40	BDCB	
Cc1cc(CN(C)C)c(O)c(C(=O)O)c1	1671216	IQDQLXNDAVKJMP-UHFFFAOYSA-N	209.245	1.460	10	40	BDCB	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]	216643875	IBBWOEQNMACOPM-ZETCQYMHSA-N	227.264	1.159	10	40	BDCB	
COc1cccc(CN2CCC(N)CC2)c1O	20521485	XSVJCLBNUZKCGY-UHFFFAOYSA-N	236.315	1.324	10	40	BDCB	
CC(=O)N(C)CCOc1ccc(N)cc1	33421379	SJXXYOPQADDFFE-UHFFFAOYSA-N	208.261	1.126	10	40	BDCB	
Nc1ccc(CCN2CCC(O)CC2)cc1	35677191	QCQDYYNVFTYERU-UHFFFAOYSA-N	220.316	1.268	10	40	BDCB	in-vitro
COc1ccc(N(CC(N)=O)[C@H](C)C2CC2)cc1	71892951	WUEXFMMFFGIMCN-SNVBAGLBSA-N	248.326	1.785	10	40	BDCB	
COc1cccc(CNCc2ccnn2C)c1O	20352707	UBMSIKROSNCEFW-UHFFFAOYSA-N	247.298	1.424	10	40	BDCB	
Nc1ccc(CSc2ncn[nH]2)cc1	19846195	QNCQVOIEXADNJC-UHFFFAOYSA-N	206.274	1.679	10	40	BDCB	
CC(C)N1CCO[C@H](c2ccc(O)c(O)c2)C1	25421596	SUYJAACXNVNFGP-ZDUSSCGKSA-N	237.299	1.880	10	40	BDCB	in-vivo
O=C(C(=O)c1cccnc1)c1cccnc1	1592410	WKQMLIVNOYGANQ-UHFFFAOYSA-N	212.208	1.542	10	40	BDCB	
CN(c1ccc2c(c1)OCO2)[C@H]1CCNC1	98181593	SJRQJXDMDKNNLG-JTQLQIEISA-N	220.272	1.213	10	40	BDCB	
CC(=O)NC(=S)Nc1ccc(N)cc1	342204	BXFSFZNTEGICHQ-UHFFFAOYSA-N	209.274	1.102	10	40	BDCB	
CN(C)c1ccc([C@@H](N)CC(=O)O)cc1	6871551	FBJCAMOGCHOAOL-JTQLQIEISA-N	208.261	1.227	10	40	BDCB	in-vitro
O=C1NC2=NN[C@H](c3ccccc3O)[C@H]2S1	5584237	FLCBABJHCZJJCI-HTQZYQBOSA-N	235.268	1.175	10	40	BDCB	
[N-]=[N+]=NCCCCCCN1C(=O)C=CC1=O	201157393	MPCNERILHIJENI-UHFFFAOYSA-N	222.248	1.782	10	40	BDCB	
CCCC(=O)C(=O)c1ccc(O)cc1O	1563290	GKWJOIQVWKQGSV-UHFFFAOYSA-N	208.213	1.650	10	40	BDCB	
CN(C)c1ccc(CN2CCC(CN)CC2)cc1	44511874	FZGBFNZRWRDHQX-UHFFFAOYSA-N	247.386	1.923	10	40	BDCB	
CC1(C)OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1	1628961	JPPNMIXVIYOENU-UHFFFAOYSA-N	248.234	1.612	10	40	BDCB	
Nc1ccc(N2CCC(CCO)CC2)cc1	141336091	NOWRFBYPZGTKLQ-UHFFFAOYSA-N	220.316	1.868	10	40	BDCB	
COC(=O)[C@@]12CC[C@@](CF)(C(=O)C1=O)C2(C)C	242687919	VAOBYKPGLFTMGG-VXGBXAGGSA-N	242.246	1.074	10	40	BDCB	
[N-]=[N+]=NC[C@H](OC(=O)c1ccccc1)C(=O)O	12650514	VLDOQDQFTOPSBS-QMMMGPOBSA-N	235.199	1.607	10	40	BDCB	
Clc1cc(N2CCOCC2)c2nonc2c1	35323612	JMSLBXGCRGVPAC-UHFFFAOYSA-N	239.662	1.713	10	40	BDCB	
Cc1cc(/C=C2/C(=O)NC(=S)N=C2O)c(C)[nH]1	9087059	INLXBMRDPHDEQM-UHFFFAOYSA-N	249.295	1.386	10	40	BDCB	
Cn1cccc1C1=NN=C(NC2CC2)SC1	23622468	XVEJMCBGQGXWOH-UHFFFAOYSA-N	234.328	1.584	10	40	BDCB	
Nc1ccc(CC(=O)NC[C@H]2CCCO2)cc1	20154966	DCGZOKPWIMAGFF-GFCCVEGCSA-N	234.299	1.107	10	40	BDCB	
Cc1n[nH]c(C)c1/N=N\N1CCOCC1	102120241	DMWBLHGWGCMSSP-SEYXRHQNSA-N	209.253	1.357	10	40	BDCB	
CN(C)Cc1cc(O)cc(CN(C)C)c1O	1671183	JLPSEYFGPKRXSJ-UHFFFAOYSA-N	224.304	1.221	10	40	BDCB	
COc1cccc(CN(C)C[C@H](C)O)c1O	130794938	BQRGPMOIFGOLQC-VIFPVBQESA-N	225.288	1.213	10	40	BDCB	
CCCCc1cc(C=S(C)(C)=O)ncn1	218795746	VZNSUMHXNPRMSI-UHFFFAOYSA-N	226.345	1.514	10	40	BDCB	
CN(C)c1ccc([C@@H](CN)N(C)C)cc1	95483747	KNSVRRFVRFIBOZ-GFCCVEGCSA-N	207.321	1.314	10	40	BDCB	
O=C1NN=C/C1=C/Nc1cc(Cl)ccc1O	95921842	DGKIXVAVKINBRD-XQRVVYSFSA-N	237.646	1.457	10	40	BDCB	
CN(C)c1ccc([C@H](CN)N2CCCC2)cc1	32497026	OMAOMESBLDANMZ-AWEZNQCLSA-N	233.359	1.848	10	40	BDCB	
Oc1ccc(F)cc1CNC[C@H]1CCCO1	83353907	MPOZDENTUAXJQX-LLVKDONJSA-N	225.263	1.800	10	40	BDCB	
Nc1ccc(OCCn2ccnc2)cc1	29218590	AFRDTKWHTKFULR-UHFFFAOYSA-N	203.245	1.544	10	40	BDCB	in-vitro
CC(=O)[C@@H]1C(=O)c2ccc(F)cc2C1=O	101407246	HKUNCWFKBJPDAB-SECBINFHSA-N	206.172	1.410	10	40	BDCB	
CCOCCCN1C(=O)CSC1=S	11692215	KWOXQQUHDKUPIG-UHFFFAOYSA-N	219.331	1.273	10	40	BDCB	
COc1cc2c(cc1OC)C(=O)CC2=O	196201087	OFQWGNIJXMWOGZ-UHFFFAOYSA-N	206.197	1.473	10	40	BDCB	
C[C@@H](N)c1ccc(N2CCN(C)CC2)c(F)c1	19872018	ADKKOBXDYXKTOY-SNVBAGLBSA-N	237.322	1.597	10	40	BDCB	in-vitro
[N-]=[N+]=N[C@H]1CCc2nc(N)sc2C1=O	97978435	OKNGPTXAMUUJRZ-VKHMYHEASA-N	209.234	1.533	10	40	BDCB	in-vitro
CC(C)COC(=O)c1cc(O)nc(O)c1	8616188	UETCJGQDUUADPV-UHFFFAOYSA-N	211.217	1.306	10	40	BDCB	
[O-][n+]1ccc(/N=N\c2cc[n+]([O-])cc2)cc1	104149134	YBOCAQWZUPHKGJ-QXMHVHEDSA-N	216.200	1.369	10	40	BDCB	
C[C@H]1CN(c2ccc(N)cc2)CC[N+]1(C)C	56979823	YGNHYMRUKIBUFI-NSHDSACASA-N	220.340	1.554	10	40	BDCB	
CC[C@@H](C)NC(=O)Cc1ccc(N)cc1	20154921	YWIXWRCUJDYBLA-SECBINFHSA-N	206.289	1.726	10	40	BDCB	
C[C@@H]1CCCN(C(=O)COc2ccc(N)cc2)C1	20155119	QXWZVZRAOHETDD-LLVKDONJSA-N	248.326	1.906	10	40	BDCB	
O=[N+]([O-])c1ccc(/N=N/N2CCOCC2)cc1	18060634	KCLBHNXQRYEECM-VAWYXSNFSA-N	236.231	1.926	10	40	BDCB	
CC(=O)N1CCCN(c2ccc(CN)cc2)CC1	42613823	DGXGZIHZFJOLCF-UHFFFAOYSA-N	247.342	1.204	10	40	BDCB	
CC(C)COC1=C([C@H](C)O)C=N[S@@](C)(=O)=C1	218809731	ROSUDCFDQQPQBZ-FVMDXXJSSA-N	245.344	1.010	10	40	BDCB	
CO[C@H]1O[C@H](CN=[N+]=[N-])[C@H]2OC(C)(C)O[C@@H]12	5066645	UBIJKPHBWCBYHF-XUTVFYLZSA-N	229.236	1.188	10	40	BDCB	
[N-]=[N+]=NCC(=O)Nc1ccc2c(c1)OCCO2	100021910	WZYLQMMLDCLZHH-UHFFFAOYSA-N	234.215	1.707	10	40	BDCB	
COc1ccc(N2CCNCC2)c(C)c1	13759256	QACLELNFVSMAIZ-UHFFFAOYSA-N	206.289	1.413	10	40	BDCB	
CC1=CC2=NC(=O)/C(=C/c3ccco3)C(=N)N2O1	5341464	BUIKTALPCJADLC-BTWWVKSVSA-N	243.222	1.730	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](N=[N+]=[N-])C1	78502969	KWVWELPTVBBQLJ-SFYZADRCSA-N	242.279	1.667	10	40	BDCB	
Cc1ccc([C@@]2(C(=O)C=[N+]=[N-])OC2(C)C)cc1	5568121	HRBWQHQPSFMRDW-ZDUSSCGKSA-N	230.267	1.869	10	40	BDCB	
C[C@H](NN)c1ccc(N2CCOCC2)cc1	228973041	VALIKTAWSKFHNE-JTQLQIEISA-N	221.304	1.048	10	40	BDCB	
CCOc1ccc(/N=N/S(=O)(=O)O)cc1	18181244	XMGQNRYTFRFCPU-MDZDMXLPSA-N	230.245	1.972	10	40	BDCB	in-vitro
Nc1ccc(C[C@@H]2SC(=O)NC2=O)cc1	1395202	QEVZXOBJHGOAML-QMMMGPOBSA-N	222.269	1.163	10	40	BDCB	
CCN1CCN(c2ccc(OC)cc2N)CC1	45886057	YJWZWMPJDYESEO-UHFFFAOYSA-N	235.331	1.419	10	40	BDCB	
Cn1cc(NCc2ccc(O)cc2O)cn1	20352781	ACVYEIXCEUKVJY-UHFFFAOYSA-N	219.244	1.443	10	40	BDCB	
CCNC(=O)c1ccccc1/N=N/N(C)C	17836464	JTFMTTMATJZIGO-BUHFOSPRSA-N	220.276	1.997	10	40	BDCB	
COc1cccc(CNC[C@H]2CCCO2)c1O	19963575	NEMILAVSJGVYEH-LLVKDONJSA-N	237.299	1.669	10	40	BDCB	
CC(C)Oc1ccc(N2CCNCC2)cc1	11632568	NKCMBWBXIPEFRM-UHFFFAOYSA-N	220.316	1.883	10	40	BDCB	
CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C	4984590	RXYMTVAHQNMICF-UHFFFAOYSA-N	242.275	1.341	10	40	BDCB	
CN1CCCN(Cc2ccccc2O)CC1	19823775	FYBRWIJNOARTBV-UHFFFAOYSA-N	220.316	1.530	10	40	BDCB	
CC(C)CNS(=O)(=O)Cc1ccc(N)cc1	20552564	VWVLKVZTVPNUKM-UHFFFAOYSA-N	242.344	1.344	10	40	BDCB	
CCOc1ccc(N2CCC(=O)C2)cc1	37239810	RWIGTKOOBSEECA-UHFFFAOYSA-N	205.257	1.865	10	40	BDCB	
CN(C)c1ccc(/C=C2/SC(=N)NC2=O)cc1	16186322	QRJLWJBAVGYHDZ-JXMROGBWSA-N	247.323	1.891	10	40	BDCB	
O=C1c2ccncc2C(=O)c2c(O)ccc(O)c21	1565890	FQKWIZGNBZNVIS-UHFFFAOYSA-N	241.202	1.268	10	40	BDCB	
CN(C)C(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C	100748373	CGLPZKCORWVQRG-CHWSQXEVSA-N	237.299	1.039	10	40	BDCB	
Nc1ccc(OCc2ncc(C(=O)O)cn2)cc1	226104169	NWHPAPGTEJOHIJ-UHFFFAOYSA-N	245.238	1.336	10	40	BDCB	
CC1(C)O[C@@]1(C(=O)C=[N+]=[N-])c1ccccc1	8655393	AQKKPKBPKDHCHF-GFCCVEGCSA-N	216.240	1.560	10	40	BDCB	
O=[N+]([O-])c1ccc(/N=N\N2CCOCC2)cc1	100478267	KCLBHNXQRYEECM-QXMHVHEDSA-N	236.231	1.926	10	40	BDCB	
CC1=NNC(=O)/C1=C/Nc1ccc(C)cc1	6187877	IRQJODJGAURDTL-YRNVUSSQSA-N	215.256	1.797	10	40	BDCB	
[N-]=[N+]=NCCCN1C(=O)c2ccccc2C1=O	6117083	MMSQWAQECRXRGR-UHFFFAOYSA-N	230.227	1.983	10	40	BDCB	in-vitro
CCNC(=O)C1CCN(c2ccc(N)cc2)CC1	32102999	NWDGXAHXBRHABJ-UHFFFAOYSA-N	247.342	1.621	10	40	BDCB	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](N=[N+]=[N-])C1	78502987	KWVWELPTVBBQLJ-JGVFFNPUSA-N	242.279	1.667	10	40	BDCB	
C[C@H](N)c1ccc(N2CCOCC2)c(F)c1	19871969	JDSRROMWZKAWMB-VIFPVBQESA-N	224.279	1.682	10	40	BDCB	
O=C1CC(=O)N(c2ccccc2Cl)N1	72206752	OVRAFRIMQVPBTM-UHFFFAOYSA-N	210.620	1.108	10	40	BDCB	
Oc1cc(F)c(Br)cc1O	39096597	WANIKDIRZJEJGF-UHFFFAOYSA-N	206.998	1.999	10	40	BDCB	in-vitro
Nc1n[nH]c(N)c1/N=N/c1ccccc1	100254453	BLXRKDXUWQFGAW-OUKQBFOZSA-N	202.221	1.990	10	40	BDCB	in-vivo
C[S@@]1(=O)=CC(=O)C[C@@H](c2ccccc2)C1	104129214	OQKISOQWAPEYGY-ABAIWWIYSA-N	222.309	1.459	10	40	BDCB	
CC(=O)c1ccc(O)c(CN(C)C)c1O	19851131	IUUBPSBZCWWBRA-UHFFFAOYSA-N	209.245	1.362	10	40	BDCB	in-vitro
C[C@@H](NN)c1ccc(Br)cc1O	199794664	MDFFJOQOZDFWGW-RXMQYKEDSA-N	231.093	1.679	10	40	BDCB	
O=C1CC(=O)N(c2cccc(C(F)(F)F)c2)N1	4178844	HQNAPLDGAXGKBS-UHFFFAOYSA-N	244.172	1.473	10	40	BDCB	
Cc1c(CNCc2ccc(O)cc2O)cnn1C	20352570	KFVHNJZGGDIDRI-UHFFFAOYSA-N	247.298	1.430	10	40	BDCB	
COCCOc1ccc(N2CCNCC2)cc1	35650783	NTVPCGYHMHFTNW-UHFFFAOYSA-N	236.315	1.121	10	40	BDCB	
Nc1ccc(OCCSCC(=O)O)cc1	8703261	KCMPHEPSQHWRBX-UHFFFAOYSA-N	227.285	1.465	10	40	BDCB	
Nc1ccc(CC(=O)NCc2ccncc2)cc1	20185671	ZFUGAVFDACZIHE-UHFFFAOYSA-N	241.294	1.523	10	40	BDCB	
[N-]=[N+]=CC(=O)[C@H]1OC12C1CC3CC(C1)CC2C3	8655396	HCORTBMYFICEQO-SUUBTVFYSA-N	232.283	1.450	10	40	BDCB	
C[C@@]12CC[C@H](C(=O)C1=O)[C@@]2(C)CC(=O)O	103612192	ONAMPECMKOSVMX-DIMCTHFVSA-N	210.229	1.036	10	40	BDCB	
CN1C(=O)/C(=C/c2cccn2C)SC1=S	5252857	FXUBYZMJKKNCJG-VURMDHGXSA-N	238.337	1.856	10	40	BDCB	
COC(=O)c1sc(SC)cc1O	51943297	RCNZXUHRNBXXSF-UHFFFAOYSA-N	204.272	1.962	10	40	BDCB	
CC(=O)N1CCO[C@H]1c1ccccc1O	196876	KCTPOBUKUWLIDW-NSHDSACASA-N	207.229	1.270	10	40	BDCB	
CCCN1CCN(c2ccc(N)cc2)CC1	8030934	GUSNDANPCWHFBH-UHFFFAOYSA-N	219.332	1.801	10	40	BDCB	in-vitro
Cc1ccc(C(=O)NCCCF)c(O)c1O	97060311	DPFMTUDTAMXWHF-UHFFFAOYSA-N	227.235	1.496	10	40	BDCB	
CCOC(=O)C1=Nc2ccc(OC)cc2C1=[N+]=[N-]	4712908	BADTTWKRNZAASE-UHFFFAOYSA-N	245.238	1.363	10	40	BDCB	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)[nH]n1	75107613	DBVXPSWEZPFJMG-UHFFFAOYSA-N	247.254	1.690	10	40	BDCB	
[O-][N+]1=C2CCCCC2=NN[C@H]1c1ccccc1O	5278158	DUVWMNJBQPKTTH-CYBMUJFWSA-N	245.282	1.875	10	40	BDCB	
C[C@H](NN)c1ccc(Br)cc1O	199794645	MDFFJOQOZDFWGW-YFKPBYRVSA-N	231.093	1.679	10	40	BDCB	
CN1C(=O)NC(=N)/C(=C\c2cccs2)C1=O	16188912	KKIAJVKGIFBBAS-FNORWQNLSA-N	235.268	1.290	10	40	BDCB	
CC(=O)c1cc(O)c(O)c(C(C)=O)c1O	1460502	VBUDCYFTCRYZAS-UHFFFAOYSA-N	210.185	1.209	10	40	BDCB	
Cc1c(CNCc2ccccc2O)cnn1C	20352495	FVEYBCRNBXGRPB-UHFFFAOYSA-N	231.299	1.724	10	40	BDCB	
CCc1nc(Cc2ccc(N)cc2)no1	39100859	QEFCOOABCIZWPR-UHFFFAOYSA-N	203.245	1.805	10	40	BDCB	
Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	16401966	AJRWOGFXRKTRBR-RYUDHWBXSA-N	242.278	1.724	10	40	BDCB	
NC(=O)c1ccccc1Oc1ccc(N)cn1	19273168	JBQNUOAYKJAYRI-UHFFFAOYSA-N	229.239	1.555	10	40	BDCB	in-vitro
CC1=NN(c2ccccc2)C(=O)[C@@H]1N=N	104882085	PJHNTUNSWGXBKZ-SECBINFHSA-N	202.217	1.809	10	40	BDCB	
COc1ccc(NC(=O)CN=[N+]=[N-])cc1	100673024	VEDWZPPSNZKCRO-UHFFFAOYSA-N	206.205	1.944	10	40	BDCB	
COc1ccc(CNC(=O)CN=[N+]=[N-])cc1	100034685	FTTWSUHKZLTICZ-UHFFFAOYSA-N	220.232	1.622	10	40	BDCB	
Cc1cc(C)[n+]2nc(N)c3ccccc3c2n1	392294	OFXYDDLWAILSCX-UHFFFAOYSA-N	225.275	1.568	10	40	BDCB	
COc1cc(N(C)C)ccc1/C=C/C(=O)O	44201131	XWSGRIMGVKUTMA-FNORWQNLSA-N	221.256	1.859	10	40	BDCB	
CC1(N2CCOCC2)C(=O)c2ccccc2C1=O	19816051	OMTNNPKKHOBNIU-UHFFFAOYSA-N	245.278	1.157	10	40	BDCB	
COC(=O)C1CCN(Cc2ccc(N)cc2)CC1	80407205	RRBAZMSPMXQSPR-UHFFFAOYSA-N	248.326	1.654	10	40	BDCB	
Oc1ccc([C@H](O)[C@@H]2CCCCN2)cc1O	1565246	IYMMESGOJVNCKV-CABZTGNLSA-N	223.272	1.273	10	40	BDCB	biogenic,in-vitro
O=c1cc(/N=N\c2ccc(O)cc2)nc(O)[nH]1	18156558	WFCXSZSLXQJFDD-YPKPFQOOSA-N	232.199	1.597	10	40	BDCB	in-vitro
[N-]=[N+]=NCC(=O)NC(=O)Nc1ccccc1F	101353343	PKGNLZUIEQGLHV-UHFFFAOYSA-N	237.194	1.784	10	40	BDCB	
OCCN1CCN(C2=Cc3ccccc3C2)CC1	19594489	ILRYFKLATVUPSX-UHFFFAOYSA-N	244.338	1.194	10	40	BDCB	
c1cnn(CCNCc2ccc3c(c2)CCO3)c1	42351621	ZNINGENZUYWBFP-UHFFFAOYSA-N	243.310	1.608	10	40	BDCB	
Nc1ccc(CN2C(=O)CCCC2=O)cc1	35326976	ANSFDUUZRVBGQW-UHFFFAOYSA-N	218.256	1.308	10	40	BDCB	in-vitro
N=C(N)C(/N=N/c1ccccc1)C(=N)N	3953901	DUTJFFGOOSJANZ-CCEZHUSRSA-N	204.237	1.011	10	40	BDCB	in-vitro
CN(C)c1ccc(CNC(=O)n2ccnc2)cc1	20282962	MKWPZJRXLNHXJF-UHFFFAOYSA-N	244.298	1.707	10	40	BDCB	in-vitro
COc1ccc(N(CCC(N)=O)C(C)C)cc1	9118594	FMPJCJXWFBBVIB-UHFFFAOYSA-N	236.315	1.785	10	40	BDCB	
Cc1n[nH]c(SCc2ccc(N)cc2)n1	20396305	GQBHVTKSJYHVFW-UHFFFAOYSA-N	220.301	1.988	10	40	BDCB	
CN1CCC(COc2ccc(N)cc2)CC1	35822833	WZRKMUXDLMLRJV-UHFFFAOYSA-N	220.316	1.989	10	40	BDCB	
COC(=O)c1ccc(O)c(CNC2CC2)c1	96530243	UDONTDXWTXBBCK-UHFFFAOYSA-N	221.256	1.431	10	40	BDCB	
Cc1nc2c(nc1C)C(=O)c1ccccc1C2=O	1608068	QWAGSSCSLRFGSL-UHFFFAOYSA-N	238.246	1.869	10	40	BDCB	
CCOc1ccc(N(CC)CC(=O)O)cc1	76611447	BJYAIBPMTABDNG-UHFFFAOYSA-N	223.272	1.996	10	40	BDCB	
O=C1OCCN1/N=[N+](\[O-])c1ccccc1	8775350	QOKROYWKMVTYGK-BENRWUELSA-N	207.189	1.648	10	40	BDCB	
COC(=O)/C=C/c1ccc(N2CCOCC2)cc1	66656246	QMCWTYBHIKAPEP-QPJJXVBHSA-N	247.294	1.709	10	40	BDCB	
O=C(CSCCO)c1ccc(O)c(O)c1	34990099	NJOASODRLMPDSX-UHFFFAOYSA-N	228.269	1.006	10	40	BDCB	
Cc1cc[n+](CCOc2ccc(N)cc2)cc1	28254	CMUONBHDGXSUID-UHFFFAOYSA-N	229.303	1.944	10	40	BDCB	
Nc1sccc1C(=O)c1cccnc1	75491439	CAHNBJDMIGTRNP-UHFFFAOYSA-N	204.254	1.956	10	40	BDCB	
N=C1NN=C[C@@H](c2c(O)ccc3ccccc23)N1	5876153	JMXZPEFPKWZSIO-JTQLQIEISA-N	240.266	1.700	10	40	BDCB	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]	104840622	MVBGZQZSRUYVPP-VIFPVBQESA-N	241.291	1.405	10	40	BDCB	
CNC(=O)/C=C/c1ccc(N(C)C)cc1	65591250	WVPRPUSHXMSAQV-RMKNXTFCSA-N	204.273	1.512	10	40	BDCB	
NC(=O)c1[nH]c(/N=N/c2ccccc2)nc1N	17109051	REGGLIYWYURHMT-FOCLMDBBSA-N	230.231	1.506	10	40	BDCB	
Nc1ccc(OCC(=O)NC2CCCC2)cc1	19816797	SKRMBAYJWGQFMG-UHFFFAOYSA-N	234.299	1.706	10	40	BDCB	
O=C1CCC(=O)c2c1c(O)c1ccncc1c2O	12953080	HLBOQAGQMVEOJQ-UHFFFAOYSA-N	243.218	1.805	10	40	BDCB	
NC[C@H]1CCN(c2ccc3c(c2)OCO3)C1	11891736	BPBONVUJEKXSET-SECBINFHSA-N	220.272	1.200	10	40	BDCB	
Oc1ccccc1[C@H]1NCCc2[nH]cnc21	5606562	BQHJAVKUXUYTOB-LLVKDONJSA-N	215.256	1.350	10	40	BDCB	
COC(=O)C(=[N+]=[N-])C(=O)c1ccc(Cl)cc1	4692007	SZRJQXSEDSNWCE-UHFFFAOYSA-N	238.630	1.367	10	40	BDCB	
CCN1CCN(C(=S)c2ccc(C)o2)CC1	573478	KVJYDCNZJCTWGX-UHFFFAOYSA-N	238.356	1.901	10	40	BDCB	
CCOC(=O)c1cc(O)c(C(=O)OCC)s1	4204625	BUIQVHHDUSDGEW-UHFFFAOYSA-N	244.268	1.807	10	40	BDCB	
CNC(=O)c1ccccc1/N=N/N(C)C	18188825	XJWOPZMELRLUSH-OUKQBFOZSA-N	206.249	1.607	10	40	BDCB	
CCn1ccc(CNCc2ccc(O)cc2O)n1	20352564	XRQMQVLRYRIAME-UHFFFAOYSA-N	247.298	1.604	10	40	BDCB	
Nc1ccc(CC(=S)N2CCOCC2)cc1	1608895	NAWXEJPTUWVONP-UHFFFAOYSA-N	236.340	1.471	10	40	BDCB	
FC(F)(F)Oc1ccc(N2CCNCC2)cc1	26898515	UWPIAGRNHBMGHQ-UHFFFAOYSA-N	246.232	1.995	10	40	BDCB	
Oc1ccccc1CNC[C@H]1CCCO1	3278079	XCYNNUVNWMBQHV-LLVKDONJSA-N	207.273	1.661	10	40	BDCB	in-vitro
CN(C)/N=N/c1ccc(S(C)(=O)=O)cc1	17058341	OUSHTDCSYXBBBN-ZHACJKMWSA-N	227.289	1.650	10	40	BDCB	
CONC(=O)c1ccccc1/N=N\N(C)C	104189314	HAKPPHGNXHAIBW-QBFSEMIESA-N	222.248	1.538	10	40	BDCB	
CC(C)NC(=O)CNCc1ccc2c(c1)CCO2	37363088	ABDRCFHFTOYSGB-UHFFFAOYSA-N	248.326	1.236	10	40	BDCB	
Nc1ccc(Oc2ccc(CO)cc2)nc1	40710840	PPMRLKFIZXZYCW-UHFFFAOYSA-N	216.240	1.948	10	40	BDCB	
CN(C)/N=N\c1ccc([N+](=O)[O-])cc1C(N)=O	100374453	JSIMNNUQUYWHET-QXMHVHEDSA-N	237.219	1.254	10	40	BDCB	
O=C1C(=O)[C@H]2[C@H]3C=C[C@H]4C3C3[C@@H](CC[C@H]32)[C@@H]14	104290495	MBDZNXZQYJZLTE-HIHGRJDGSA-N	214.264	1.459	10	40	BDCB	
CCCNC(=O)CCc1ccc(N)cc1	20186501	JMAKFGDVZAIGTL-UHFFFAOYSA-N	206.289	1.728	10	40	BDCB	
O=C(C(=O)C1CCNCC1)c1ccccc1	40448933	WMGWKIVLPOSDPA-UHFFFAOYSA-N	217.268	1.438	10	40	BDCB	
COC(=O)[C@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C	34118070	MBHFAIHTQFEOMY-LURJTMIESA-N	244.251	1.363	10	40	BDCB	
[N-]=[N+]=CC(=O)[C@@H]1OC12C1CC3CC(C1)CC2C3	5568123	HCORTBMYFICEQO-OBXDEULESA-N	232.283	1.450	10	40	BDCB	
COc1ccc(N2CC[C@@H](CN)C2)cc1	11891665	NKHWOJQUGQNVGN-JTQLQIEISA-N	206.289	1.480	10	40	BDCB	in-vitro
Oc1ccccc1[C@H]1CN2CCSC2=N1	65742917	UWSRSQGOOOLTTI-SECBINFHSA-N	220.297	1.852	10	40	BDCB	in-vitro
N=C1NC(=O)/C(=C\c2ccc(O)c(O)c2)S1	16384203	UEVUNOBBEYCBJU-XBXARRHUSA-N	236.252	1.236	10	40	BDCB	
CCOC(=O)/N=N\C(C)(C)OC(C)=O	104391064	JVRRYCCNWITMTO-KTKRTIGZSA-N	202.210	1.894	10	40	BDCB	
CN/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C	6301080	HGUIABCTZGJERO-XYOKQWHBSA-N	229.283	1.821	10	40	BDCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)N	1772491071	DQNWQVIYXRWVBN-XFFZJAGNSA-N	233.246	1.781	10	40	BDCB	
Nc1ccc(C[C@@H](CCC(=O)O)C(=O)O)cc1	4638525	ICDBHKTXLNKEKR-SECBINFHSA-N	237.255	1.377	10	40	BDCB	
Oc1c(Cl)cccc1CN1CCOCC1	31614461	RIYSLSMXJUWLKV-UHFFFAOYSA-N	227.691	1.878	10	40	BDCB	
Oc1cc2c(cc1O)[C@@H](c1ccccn1)NCC2	3703131	SUYCURKUDLDFOG-AWEZNQCLSA-N	242.278	1.728	10	40	BDCB	
COc1cccc(CN(C)C[C@@H](C)O)c1O	130795118	BQRGPMOIFGOLQC-SECBINFHSA-N	225.288	1.213	10	40	BDCB	
O=S(=O)(O)/N=N/c1ccccc1F	223812207	QUUDNNFFQFZRBH-CMDGGOBGSA-N	204.182	1.712	10	40	BDCB	
Cc1ccnc2sc(C(=O)O)c(N)c12	82326719	DGQBWNBBHSIYNF-UHFFFAOYSA-N	208.242	1.885	10	40	BDCB	
O=C1N=C(S)S/C1=C\c1ccc[nH]1	2573481	RRJVVJRJMYKPGH-XQRVVYSFSA-N	210.283	1.915	10	40	BDCB	
CC(C)c1[nH]nc(C(N)=O)c1/N=N/N(C)C	17820935	CZBJUVCJXXZKSJ-BUHFOSPRSA-N	224.268	1.192	10	40	BDCB	
CCOC(=O)Cn1ccc2cc(N)ccc21	36949989	FWOUVCXOJRQVQJ-UHFFFAOYSA-N	218.256	1.787	10	40	BDCB	in-vitro
CC(=O)O[C@@H]1C[C@H]2C(=O)C(=O)[C@@]1(C)C2(C)C	103129561	IBRVHONNJUWZOO-SXMVTHIZSA-N	224.256	1.122	10	40	BDCB	
[N-]=[N+]=NCC(=O)c1ccc2c(c1)OCCO2	100022425	FKYJLMOSGPBBSJ-UHFFFAOYSA-N	219.200	1.951	10	40	BDCB	
CC(C)(C)S(=O)(=O)Cc1ccc(N)cc1	35309733	UCECHHVDVWXWCC-UHFFFAOYSA-N	227.329	1.982	10	40	BDCB	in-vitro
CC(C)(C)NCC(=O)c1ccc(O)c(O)c1	33506239	RNGOPMBKNLMANA-UHFFFAOYSA-N	223.272	1.669	10	40	BDCB	in-vitro
Cc1c(COc2ccc(N)cc2)cnn1C	20351838	RVICEZPPVOGFON-UHFFFAOYSA-N	217.272	1.890	10	40	BDCB	
O=C1CC[C@H](Cc2ccc(O)c(O)c2)O1	6091898	ZNXXWTPQHVLMQT-MRVPVSSYSA-N	208.213	1.346	10	40	BDCB	endogenous,in-man
C[C@@H](NC(=O)/N=N\c1ccccc1)C(=O)O	17379165	ZJWVEQMFWYJXEH-DXOLEKOGSA-N	221.216	1.953	10	40	BDCB	
COc1ccc(N=Nc2c(N)[nH][nH]c2=N)cc1	8613387	QNRNTYHAOBVOKW-UHFFFAOYSA-N	232.247	1.828	10	40	BDCB	
Cc1ccc(C(=S)N2CCOCC2)o1	5815094	KCVJISBXRZNEHY-UHFFFAOYSA-N	211.286	1.596	10	40	BDCB	
C[C@]12CC(=O)N[C@@H]1N[C@@H](c1ccccc1O)C2	108454397	CXOFBNWHNGDDJG-ICCXJUOJSA-N	232.283	1.279	10	40	BDCB	
CCOc1cc(O)c(C(=O)OC)s1	39099181	PJKJLTMVBRTFIR-UHFFFAOYSA-N	202.231	1.639	10	40	BDCB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C)N	17917235	FRHOPYOVAJCEMC-DHZHZOJOSA-N	215.256	1.642	10	40	BDCB	
C[C@H]1CCN(CCOc2ccc(N)cc2)C1	40716929	YLHBEZCQRXWMKK-NSHDSACASA-N	220.316	1.989	10	40	BDCB	in-vitro
CCOC(=O)c1cnn(-c2ccc(N)cc2)c1	33426777	UFTVBVSDQMOPIZ-UHFFFAOYSA-N	231.255	1.631	10	40	BDCB	
CN(C)c1ccc([C@H](CN)N(C)C)cc1	95483748	KNSVRRFVRFIBOZ-LBPRGKRZSA-N	207.321	1.314	10	40	BDCB	
O=C1NC(=S)S/C1=C\c1ccncc1	1234199	KNTSNHQKRQFSSZ-ALCCZGGFSA-N	222.294	1.570	10	40	BDCB	
COc1ccc(N(CC(N)=O)[C@@H](C)C2CC2)cc1	71892950	WUEXFMMFFGIMCN-JTQLQIEISA-N	248.326	1.785	10	40	BDCB	
COc1ccc(N(C)[C@H](C)C(=O)O)cc1	82259430	METLAIYNPSUUOV-MRVPVSSYSA-N	209.245	1.605	10	40	BDCB	
CN1CCc2cc([C@H](CN)N(C)C)ccc21	34936233	JEUGZIMGUVELSV-ZDUSSCGKSA-N	219.332	1.240	10	40	BDCB	
COc1ccc(N(C)CC(=O)O)c(OC)c1	49819942	REDIAKVQGREKKK-UHFFFAOYSA-N	225.244	1.225	10	40	BDCB	
CCCCN(C)/N=N/c1nc[nH]c1C(=O)OC	18056480	PUJZLQLEKPFMBH-BUHFOSPRSA-N	239.279	1.927	10	40	BDCB	
Nc1ccc(CC(=O)OCC2CC2)cc1	20154968	LRFULMRQUKUACT-UHFFFAOYSA-N	205.257	1.765	10	40	BDCB	
NC[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1	11891739	CUDVHSHFVDIMJL-JTQLQIEISA-N	234.299	1.243	10	40	BDCB	
Cn1ccc(CNCc2ccccc2O)n1	20352488	FOEVQBRJXIUEOG-UHFFFAOYSA-N	217.272	1.416	10	40	BDCB	
C[n+]1ccc(/C=C/Nc2cccc(N)n2)cc1	17429440	RCDGYIRHUOLBMD-UHFFFAOYSA-O	227.291	1.571	10	40	BDCB	
CC(C)(C)OC(=O)NCC[C@H](N=[N+]=[N-])C(=O)O	108644367	JLMWKZYQNHSSAD-LURJTMIESA-N	244.251	1.665	10	40	BDCB	
CNCc1cc(C(C)(C)C)cc(CO)c1O	1760422	SVWPALHIRZLISJ-UHFFFAOYSA-N	223.316	1.901	10	40	BDCB	
Nc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1	45930492	RLOIZYRMCBNTJZ-UHFFFAOYSA-N	229.239	1.155	10	40	BDCB	
Nc1ccc(OCC(=O)NCC2CC2)cc1	19398284	NHMXBWYDUUGCPV-UHFFFAOYSA-N	220.272	1.174	10	40	BDCB	
COC(=O)c1sc(OC)c(Cl)c1O	39630818	OHCXCLUOINPJMH-UHFFFAOYSA-N	222.649	1.902	10	40	BDCB	
COc1cc2c(c(O)c1OC)CN(C)CC2	3847399	DTXOXOHMRGAFDX-UHFFFAOYSA-N	223.272	1.397	10	40	BDCB	biogenic
Cc1nc2c([nH]1)C(=O)c1ccccc1C2=O	34415651	RTBQGSZNUHVYBW-UHFFFAOYSA-N	212.208	1.494	10	40	BDCB	
[N-]=[N+]=N[C@@H]1CCc2nc(N)sc2C1=O	97978436	OKNGPTXAMUUJRZ-GSVOUGTGSA-N	209.234	1.533	10	40	BDCB	in-vitro
COc1cc(NC(=O)CN=[N+]=[N-])cc(OC)c1	100035918	PRBGMOOFMKQZLB-UHFFFAOYSA-N	236.231	1.953	10	40	BDCB	
COc1ccccc1N/C=C1/C=NNC1=O	95921835	QDOXCKCEQKEWGM-VURMDHGXSA-N	217.228	1.107	10	40	BDCB	
Nc1ccc(C[C@H](CCC(=O)O)C(=O)O)cc1	4638526	ICDBHKTXLNKEKR-VIFPVBQESA-N	237.255	1.377	10	40	BDCB	
CC[C@@H](C)OC(=O)COc1ccc(N)cc1	20155088	BKSNIYHXRIMPGR-SECBINFHSA-N	223.272	1.989	10	40	BDCB	
COc1ccc2c(c1O)[C@@H](C)NC[C@H]2O	24717758	OHAUTXAZGQEZHA-HTRCEHHLSA-N	209.245	1.098	10	40	BDCB	
Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1	12394701	RWTJVGLEXNIAME-CYBMUJFWSA-N	217.316	1.553	10	40	BDCB	in-vitro
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N=[N+]=[N-])C1	32098836	CSWBTQKOSPXYIE-RNFRBKRXSA-N	228.252	1.277	10	40	BDCB	
COC(=O)c1cc(O)c(C(=O)OC)s1	81638	GIBGVHMTXFZCBN-UHFFFAOYSA-N	216.214	1.027	10	40	BDCB	in-vitro
CCc1nc2c(n1O)C(=O)c1ccccc1C2=O	96336142	MDRAYJJARMCXCY-UHFFFAOYSA-N	242.234	1.458	10	40	BDCB	
Cc1cc(N/C=C2\SC(=S)NC2=O)no1	618254541	DUXVWXDNPWWVFM-HYXAFXHYSA-N	241.297	1.384	10	40	BDCB	
COc1ccc(N2CCCC2)cc1C(=O)O	14000360	SIMPBTMBPFDLGQ-UHFFFAOYSA-N	221.256	1.994	10	40	BDCB	
Nc1ccc(OCc2n[nH]c(C3CC3)n2)cc1	72221226	OAZQWIQVNMCSCL-UHFFFAOYSA-N	230.271	1.843	10	40	BDCB	
O=[N+]([O-])/C=C/c1ccc(N2CCOCC2)cc1	468550	ZITKWBFZKRKXQY-AATRIKPKSA-N	234.255	1.771	10	40	BDCB	
CCCOC(=O)COc1ccc(N)cc1	20155080	UFWWAQMGWUPPGB-UHFFFAOYSA-N	209.245	1.601	10	40	BDCB	
CC(C)(C)NC(=O)Cc1ccc(N)cc1	12481040	SXIHUFHYSBSZDS-UHFFFAOYSA-N	206.289	1.726	10	40	BDCB	in-vitro
O=C1NC2=NN[C@H](c3ccccc3O)[C@@H]2S1	104832008	FLCBABJHCZJJCI-SFYZADRCSA-N	235.268	1.175	10	40	BDCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NO	13483320	HMJWZZMTECOVBC-POHAHGRESA-N	235.218	1.411	10	40	BDCB	
NC(=O)c1cccc(Oc2ccc(N)cn2)c1	19437478	KUPPDXHQCBVXEL-UHFFFAOYSA-N	229.239	1.555	10	40	BDCB	in-vitro
COc1cccc(CN2CCC[C@@H](N)C2)c1O	41027816	KXMNDJNOTWKSQQ-LLVKDONJSA-N	236.315	1.324	10	40	BDCB	
CC1=NNC(=O)/C1=C\Nc1ccc(C)cc1	95921849	IRQJODJGAURDTL-XFFZJAGNSA-N	215.256	1.797	10	40	BDCB	
O=[N+]([O-])c1cc2c(cc1N1CCCC1)OCO2	32500112	RZZZTHQIJSUCLN-UHFFFAOYSA-N	236.227	1.924	10	40	BDCB	
CN1CCC(NC(=O)Cc2ccc(N)cc2)CC1	37266936	FVASHSXKCDWULU-UHFFFAOYSA-N	247.342	1.022	10	40	BDCB	
O=C1NC(=S)S/C1=C\c1ccoc1	1804847	BOLSPCFXBKVASD-UTCJRWHESA-N	211.267	1.768	10	40	BDCB	in-vitro
Nc1nc(N)c(/N=N/c2ccc(O)cc2)c(O)n1	16051240	SIFYQNPDFARNSH-FOCLMDBBSA-N	246.230	1.468	10	40	BDCB	
CCOC(=O)c1nc(C)[nH]c1/N=N/N(C)C	16998907	NUEUPPUYXCLQHE-OUKQBFOZSA-N	225.252	1.455	10	40	BDCB	
COc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	40545122	UJTLJYUBCUVDIX-UHFFFAOYSA-N	238.243	1.440	10	40	BDCB	
Cc1c(/C=C2\SC(S)=NC2=O)cnn1C	2573448	BIBQUTKJONFZJP-CLTKARDFSA-N	239.325	1.629	10	40	BDCB	
CC[C@@H](C)NC(=O)COc1ccc(N)cc1	20155106	NCMGOTFWHSORKN-SECBINFHSA-N	222.288	1.562	10	40	BDCB	
COc1cccc(CNC(=O)NC2CC2)c1O	71794525	YFGPDLYYSDGSAS-UHFFFAOYSA-N	236.271	1.362	10	40	BDCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccccc2)S1	4492246	QMKPYQOFBUYLQJ-JXMROGBWSA-N	246.291	1.793	10	40	BDCB	
CC(=O)NCCCOc1ccc(N)cc1	1750812	IFSAFCKHSSRFCX-UHFFFAOYSA-N	208.261	1.174	10	40	BDCB	
CC(C)CNC(=O)CCc1ccc(N)cc1	7448342	SXHWDVGUSGOLDX-UHFFFAOYSA-N	220.316	1.974	10	40	BDCB	
CC(C)(CO)NCc1ccc2c(c1)CCO2	37362917	TVTZTMUHODRMGF-UHFFFAOYSA-N	221.300	1.482	10	40	BDCB	
COc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(N)c1	213366886	NXDHJPXBKCRPOZ-UWVGGRQHSA-N	236.315	1.891	10	40	BDCB	
NC(=O)c1cccn1-c1ccc(N)cc1	216810203	LJTONOTYNJKZMX-UHFFFAOYSA-N	201.229	1.158	10	40	BDCB	
CN(C)c1ccc(/C=C2\NC(=S)NC2=O)cc1	1649772	JDEZMVXJIDKERE-YFHOEESVSA-N	247.323	1.098	10	40	BDCB	
Cc1nn(C)cc1CNCc1ccc(O)cc1O	20352568	HIEFHLQFKPHHRY-UHFFFAOYSA-N	247.298	1.430	10	40	BDCB	
C[C@H](O)CN(C)Cc1cc(F)ccc1O	130643969	CYUZUBLFISSENU-QMMMGPOBSA-N	213.252	1.344	10	40	BDCB	
CCCCN(C)/N=N/c1n[nH]cc1C(=O)OC	18252471	LNTUQGRLBQKYTA-BUHFOSPRSA-N	239.279	1.927	10	40	BDCB	
CCn1nccc1/C=C1\SC(S)=NC1=O	6125683	DOXVWWZLKZDRFE-ALCCZGGFSA-N	239.325	1.803	10	40	BDCB	
CN(C)C(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C	100748377	CGLPZKCORWVQRG-STQMWFEESA-N	237.299	1.039	10	40	BDCB	
COc1ccccc1/C=C1\SC(N)=NC1=O	2458510	DIBUCIUTYHQFAO-TWGQIWQCSA-N	234.280	1.624	10	40	BDCB	
O=C1CCN[C@H](c2c(O)ccc3ccccc23)N1	408736785	HZJYAAPOIGJAPV-AWEZNQCLSA-N	242.278	1.654	10	40	BDCB	
COc1ccc(N2CCC[C@H](C(=O)O)C2)cc1	59726340	QWIPFJSFUOANAO-JTQLQIEISA-N	235.283	1.996	10	40	BDCB	
CC(=O)O[C@@H]1C[C@@H]2C(=O)C(=O)[C@]1(C)C2(C)C	100746631	IBRVHONNJUWZOO-DNSOKLHBSA-N	224.256	1.122	10	40	BDCB	
CN(C)c1cc(Nc2ccc(N)cc2)ncn1	217512536	FOWNHUUBLKNNAF-UHFFFAOYSA-N	229.287	1.868	10	40	BDCB	
Cc1c(C)[n+]([O-])c(-c2ccc(N(C)C)cc2)n1O	1568644	MKSKQSMNGDBWSH-UHFFFAOYSA-N	247.298	1.709	10	40	BDCB	
CN1C(=O)/C(=C\c2ccccn2)SC1=S	4498222	XPZIEOMDHVVXHE-SOFGYWHQSA-N	236.321	1.913	10	40	BDCB	
NCc1ccc(N2CCC(O)CC2)cc1	19865402	BIIAKXLPAKKIDO-UHFFFAOYSA-N	206.289	1.106	10	40	BDCB	in-vitro
NNCc1cc(Cl)c2cccnc2c1O	19169140	LYBKAFWCHFQWPJ-UHFFFAOYSA-N	223.663	1.557	10	40	BDCB	
[O-][N+]1=C2CCCCC2=NN[C@@H]1c1ccccc1O	5278178	DUVWMNJBQPKTTH-ZDUSSCGKSA-N	245.282	1.875	10	40	BDCB	
Cc1ccc(/N=N/N2CCC(=O)N2)cc1	1395506	YVGBGMRXIKWXMQ-ACCUITESSA-N	204.233	1.731	10	40	BDCB	
CCCCN(C)/N=N\c1c(C(N)=O)n[nH]c1C	104127828	LXWKKMNTPFEUOO-PFONDFGASA-N	238.295	1.548	10	40	BDCB	
CCn1cc(CNCc2ccc(O)cc2O)cn1	20352571	CXLOUZIYIUTIJB-UHFFFAOYSA-N	247.298	1.604	10	40	BDCB	
Cc1ccc(C(=O)NC2CC=CC2)c(O)c1O	97059824	REPMVVSKRQLXLV-UHFFFAOYSA-N	233.267	1.855	10	40	BDCB	
CN(C)c1ccc(CN2CC[C@H](N)C2)cc1	50227788	IBZNDVIRLXAXIZ-LBPRGKRZSA-N	219.332	1.286	10	40	BDCB	
COCCCNCc1ccc(N(C)C)cc1	8701739	JUEOVFLNGAZQSX-UHFFFAOYSA-N	222.332	1.879	10	40	BDCB	
O=C1NN=C/C1=C/Nc1ccc(Cl)cc1	100401414	LWXSIZZHUASXEG-ALCCZGGFSA-N	221.647	1.751	10	40	BDCB	
COc1ccc2c(c1O)[C@H](C)NC[C@@H]2O	24717747	OHAUTXAZGQEZHA-XPUUQOCRSA-N	209.245	1.098	10	40	BDCB	
CN1CCc2cc([C@@H](CN)N(C)C)ccc21	34936232	JEUGZIMGUVELSV-CYBMUJFWSA-N	219.332	1.240	10	40	BDCB	
CC[C@H](C)OC(=O)COc1ccc(N)cc1	20155089	BKSNIYHXRIMPGR-VIFPVBQESA-N	223.272	1.989	10	40	BDCB	
Nc1ccc(N2CCN(C3CC3)CC2)cc1	11756034	BNJJOUMQLDDFMK-UHFFFAOYSA-N	217.316	1.553	10	40	BDCB	in-vitro
Nc1ccc(CC(=O)Nc2nccs2)cc1	20154969	FRZDMKZMZJFQOW-UHFFFAOYSA-N	233.296	1.907	10	40	BDCB	
CO[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H]2OC(C)(C)O[C@@H]12	5066643	UBIJKPHBWCBYHF-HSNKUXOKSA-N	229.236	1.188	10	40	BDCB	
Cc1cc(CO)c(C)n1-c1ccccn1	8701632	HNFDMUSDYSDNRO-UHFFFAOYSA-N	202.257	1.981	10	40	BDCB	
N[C@@H](C(=O)O)c1c(O)ccc2ccccc12	13910753	IJBVMBXKBDGZPQ-LLVKDONJSA-N	217.224	1.630	10	40	BDCB	
COc1ccc2c(c1)C[C@@H](CN)CN2C	82932993	ZCSDGXTUIOQXKM-VIFPVBQESA-N	206.289	1.262	10	40	BDCB	
CC[C@@H]1SC(=S)N(CCCC(=O)O)C1=O	4745891	NICVCRKHLDOJOU-LURJTMIESA-N	247.341	1.490	10	40	BDCB	
CS(C)(=O)=Cc1cc(C2CCC2)ncn1	218795857	IDMAHZDHWMKROY-UHFFFAOYSA-N	224.329	1.438	10	40	BDCB	
N[C@@H](CC(=O)O)c1cc(F)cc(F)c1O	44219929	JQBRAFTUXXZQOT-ZETCQYMHSA-N	217.171	1.145	10	40	BDCB	
COCCOCCOc1ccc(N)cc1	14630111	IWXQVPLYQQTJTR-UHFFFAOYSA-N	211.261	1.311	10	40	BDCB	in-vitro
CC1=NC(=O)N[C@@H](c2ccccc2O)[C@@H]1C(=O)O	100265370	VAXKJZKKXSLAJX-ZJUUUORDSA-N	248.238	1.318	10	40	BDCB	
CCCC(=O)NC1=NN(c2ccccc2)C(=O)C1	16636978	ZEWQWTFTCPSLIL-UHFFFAOYSA-N	245.282	1.653	10	40	BDCB	
COc1cccc(/C=C2\SC(N)=NC2=O)c1	12408802	RCYJWMUYBFSIFL-TWGQIWQCSA-N	234.280	1.624	10	40	BDCB	
Oc1cc2c(cc1O)[C@@H](c1cccnc1)NCC2	19691273	INWHESSIQOIMBL-CQSZACIVSA-N	242.278	1.728	10	40	BDCB