smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C(C=CCCCC[C@H](C)O)C(=O)OC1=O 2356722210 AEYAUJJXGSCJRE-VIFPVBQESA-N 238.283 1.884 50 1 BDGF CC1(C)OO[C@@]23CCCC[C@@H]2CC(=O)O[C@@H]3O1 43381922 MVGLOTFWOPQIQO-UISBYWKRSA-N 242.271 1.903 50 1 BDGF O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2[C@@H]2[C@H]3C=C[C@H]3[C@@H]12 195517046 UOHVXCZAZIYNAK-BMQAWCLDSA-N 228.247 1.166 50 1 BDGF CS(=O)(=O)[C@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253701756 LRVKVRBCZASITK-XAVMHZPKSA-N 231.342 1.301 50 1 BDGF NNC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875093 NDFAKJBDSBUPJF-UHFFFAOYSA-N 234.190 1.226 50 1 BDGF CC1(C)N(O)C(CCl)=[N+]([O-])C1(C)C 40836330 VWUSDIZLEWCIHQ-UHFFFAOYSA-N 206.673 1.396 50 1 BDGF N=c1[nH]ccc2nc([C@@H](Cl)CCl)[nH]c12 587008979 TZMWGHNFACKMOO-BYPYZUCNSA-N 231.086 1.889 50 1 BDGF COC[C@H]1CC(C)(C)OO[C@]1(C)OC 103287404 SYHUDEKFAVUXOX-SCZZXKLOSA-N 204.266 1.742 50 1 BDGF O=C(N/N=C/c1ccc(CO)o1)c1ccccc1 1857769867 KKLYIAOUEGLPRV-RIYZIHGNSA-N 244.250 1.536 50 1 BDGF C=C(CCCO)[C@H]1COC(C)(C)OO1 43100726 DMGNTKTTWVSKMH-SECBINFHSA-N 202.250 1.398 50 1 BDGF CS(=O)(=O)[C@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 103148348 LRVKVRBCZASITK-XGEHTFHBSA-N 231.342 1.301 50 1 BDGF O=C(Br)CCC(=O)Br 85899660 YVXPOZFNECJRIC-UHFFFAOYSA-N 243.882 1.610 50 1 BDGF COc1cncc2nc([C@H](N)CCl)[nH]c12 587010691 NILHNJOZXFTCTF-RXMQYKEDSA-N 226.667 1.205 50 1 BDGF CCC=CC1=C(CCC(=O)O)C(=O)OC1=O 2356484165 KMMGWWCKVLBXLF-UHFFFAOYSA-N 224.212 1.197 50 1 BDGF COC(=O)C[C@H]1CC[C@](C)(OC)OO1 43427091 WSVFJQOPDCNUAU-VXNVDRBHSA-N 204.222 1.023 50 1 BDGF CC(C)(O)[C@H]1Cc2cc(C=CC=O)ccc2O1 2356416934 LEFHHOBVSOTJCX-CYBMUJFWSA-N 232.279 1.973 50 1 BDGF Cc1oc2c(c1C)S(=O)(=O)C(C#N)=CN2 1653556 ILYGPVUKFZWDIN-UHFFFAOYSA-N 224.241 1.461 50 1 BDGF C[C@H]1[C@@H](C)[C@@]2(CCl)OC(=O)[C@@]1(C)OC2=O 2356452445 QDINYLSTNVLZAV-FTEGDLIOSA-N 232.663 1.109 50 1 BDGF O=C(N/N=C/c1ccc(CO)o1)c1ccco1 1857656823 DIXSSVWITBPPTP-WUXMJOGZSA-N 234.211 1.129 50 1 BDGF CC(C)(C)C(=O)/C(C#N)=C/N1CCNC1=S 40915451 BUHXGAJRMDZYKC-BQYQJAHWSA-N 237.328 1.199 50 1 BDGF C=C(CCCO)[C@H]1COC2(CCCC2)OO1 43100535 QFFXEACJIUICTC-LLVKDONJSA-N 228.288 1.932 50 1 BDGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](O)[C@@H]2Br 195524518 YFOGAKDZBMEIPI-WXKLWKFWSA-N 247.132 1.746 50 1 BDGF O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2[C@H]3C=C[C@H]3[C@@H]12 195517049 UOHVXCZAZIYNAK-TUAXJWMUSA-N 228.247 1.166 50 1 BDGF O=[S@@]1SC(=S)[C@H]2C=CC=N[C@@H]21 31904884 XLDAYWQKBYTOEC-XOGFGSHOSA-N 203.313 1.307 50 1 BDGF O/N=C/c1cc[n+](CCOCCCl)cc1 66166406 OZPAVNTUQDMAEH-UHFFFAOYSA-O 229.687 1.038 50 1 BDGF C=C(C=O)[C@@H]1Cc2cc(C(C)=O)c(O)cc2O1 238757875 MVVJTORJHJFAGN-LBPRGKRZSA-N 232.235 1.653 50 1 BDGF biogenic Oc1cc2c(cc1O)C[C@H](NCCCl)CC2 29550871 ZZPQYFRULODCRR-SNVBAGLBSA-N 241.718 1.784 50 1 BDGF CC1(C)OO[C@]23CCCC[C@H]2CC(=O)O[C@H]3O1 43845706 MVGLOTFWOPQIQO-PTOFAABTSA-N 242.271 1.903 50 1 BDGF C[C@@H]1NC(=O)[C@H](C#N)[C@H](C)[C@@H]1Br 618012065 YZTSPFGLNNAOEU-YTLHQDLWSA-N 231.093 1.044 50 1 BDGF O=C/C(Br)=C\Nc1nccs1 958048841 MKDHORDUBBSFSJ-HWKANZROSA-N 233.090 1.990 50 1 BDGF N[C@H](CCl)c1nc2cccc(F)c2[nH]1 587010039 FAGKJKLOIDOWNF-ZCFIWIBFSA-N 213.643 1.941 50 1 BDGF COc1cc([C@H](O)[C@H](O)CCl)ccc1O 15112865 YGHRQWKTVXMGDU-SCZZXKLOSA-N 232.663 1.034 50 1 BDGF endogenous,in-man CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@H](C)C2=CO1 2356640629 KQQNJGOEIIVEGU-AMIZOPFISA-N 234.251 1.270 50 1 BDGF CC=C(C=O)c1c(OC)cc(=O)oc1C 2356402239 CFTVNLCXUPFJDY-UHFFFAOYSA-N 208.213 1.559 50 1 BDGF BrC/C=C\c1nc2cnncc2[nH]1 586974738 YTUWCRFZIRKXIU-UPHRSURJSA-N 239.076 1.761 50 1 BDGF NC(=O)N/N=C1/C[C@H]2C[C@@H]1[C@@H]1C=CC[C@H]12 17060212 VFNYTWHRVSBLAG-RHPUFJCWSA-N 205.261 1.243 50 1 BDGF C[C@@]12CC[C@@]3(C)[C@](C)(OO[C@@]3(C)O1)O2 254091802 GHEBYCZKGJSNAU-HKBCETJISA-N 200.234 1.944 50 1 BDGF NNC(=O)c1ccc2nc(C3CCC3)[nH]c2c1 586885057 VGAHHYHXVGCJIO-UHFFFAOYSA-N 230.271 1.434 50 1 BDGF Cc1cc(C)n2ncc(SC#N)c2n1 169318779 FXWDSTFNEXLGBM-UHFFFAOYSA-N 204.258 1.919 50 1 BDGF C[C@@H]1OC(=O)c2c(O)cc(O)cc2[C@@H]1Cl 13459810 WYUIOVYIGXNMKO-AJAUBTJJSA-N 228.631 1.937 50 1 BDGF Oc1nncc2nc([C@H](Cl)CCl)[nH]c12 587008680 QILGPNPWVZHCAZ-GSVOUGTGSA-N 233.058 1.577 50 1 BDGF NNC(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1 586884406 PLKDEOVXVATUHB-UHFFFAOYSA-N 242.282 1.734 50 1 BDGF Cc1cccc2c(/C=N/NC(=O)CC#N)c[nH]c12 1857771488 HEYKKYWJFXSRAJ-LZYBPNLTSA-N 240.266 1.840 50 1 BDGF C=C1CC(C(=O)NNC=C2C=CC(=O)C=C2)C1 13125948 UGJHLLUSHSLXPH-UHFFFAOYSA-N 230.267 1.152 50 3 BDGF O=NN(CCF)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 169290136 LESTWYVGWLZSMR-IWSPIJDZSA-N 229.255 1.838 50 1 BDGF CC1=C(C[C@@H]2C(C=O)=C(C)[C@@H]3C[C@H]23)C(=O)OC1=O 2356493725 DVJSCKNYRQCCDY-LSJOCFKGSA-N 246.262 1.558 50 1 BDGF BrCc1nc2cnccc2[nH]1 586972713 ZOJSQVDMVADJFP-UHFFFAOYSA-N 212.050 1.853 50 1 BDGF CCOC(=O)CCCOOC(C)(C)OC 38158505 WDXDCRIUKBGHSW-UHFFFAOYSA-N 220.265 1.660 50 1 BDGF CCCNNC(=O)CCc1ccccc1 1857590935 INCNKEBTPHJTPP-UHFFFAOYSA-N 206.289 1.650 50 1 BDGF C=CCNC1=NC[C@@H](Br)CS1 82052324 BKAAKGHSDWVOTF-ZCFIWIBFSA-N 235.150 1.628 50 1 BDGF N#C/C(=C\c1ccccc1)Cn1cnnn1 169321234 BJHJJIONSOZETF-IZZDOVSWSA-N 211.228 1.280 50 1 BDGF C=C1[C@H](C)C[C@H](C)[C@@H]2[C@H]1CC=C(C=O)[C@]2(O)C=O 2356589194 CUUXJJXXBLFSTO-UFNBPRGBSA-N 248.322 1.910 50 1 BDGF CC(C)Cc1ncc([C@@H]2OOC2(C)C)[nH]c1=O 2356800489 RAMSDQYHWMJSAO-JTQLQIEISA-N 238.287 1.750 50 1 BDGF N[C@H](CCl)c1nc2ccc(O)cc2[nH]1 587010729 NSUJPSDUOYXWBD-ZCFIWIBFSA-N 211.652 1.507 50 1 BDGF O=C1CC=Cn2c1nc(CCl)cc2=O 957584899 FQBUNBYDMFJMBG-UHFFFAOYSA-N 210.620 1.039 50 1 BDGF N#C/C(=C\c1ccc(O)cc1)C(=N)C(C#N)C#N 169685021 LVERBWQDRRFJMH-SMKKRGQSSA-N 236.234 1.982 50 1 BDGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](O)[C@@H]2Br 103009012 YFOGAKDZBMEIPI-MUNAIBHASA-N 247.132 1.746 50 1 BDGF CC=CC1=C(Cl)[C@H](O)[C@H](Cl)[C@@H]1O 2356610923 CHSXQUZDKBHQRP-PRJMDXOYSA-N 209.072 1.398 50 1 BDGF COC(=O)[C@H]1C[C@@H]2C[C@@H](N=C=S)[C@@H]1C2 103148644 PBCHZYKOSIKXPT-LURQLKTLSA-N 211.286 1.677 50 1 BDGF C=C(CCCO)[C@@H]1COC2(CCCC2)OO1 43100531 QFFXEACJIUICTC-NSHDSACASA-N 228.288 1.932 50 1 BDGF CCCCCCC1=C(CC(=O)O)C(=O)OC1=O 85550803 UMHSTRUKUXAWBA-UHFFFAOYSA-N 240.255 1.812 50 1 BDGF in-vitro COC(=O)[C@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253632900 DCALCCIPFVJFMU-UYXSQOIJSA-N 211.286 1.677 50 1 BDGF O=C(O)[C@@H]1C=CC(CBr)=CC1 26270567 BZRNNESIJWWEOJ-SSDOTTSWSA-N 217.062 1.968 50 1 BDGF CCCCNNC(=O)c1ccc(N(C)C)cc1 206503058 GBPRHUHCZVADPX-UHFFFAOYSA-N 235.331 1.787 50 1 BDGF COC(=O)[C@@H](CC(C)C)N(O)C(=O)CCl 13550782 KJLMTLDQYWPYMU-SSDOTTSWSA-N 237.683 1.031 50 1 BDGF C/C(=N\NC(N)=O)c1ccc(-n2cccc2)cc1 103238026 XOUNBFYYNIFIPF-XNTDXEJSSA-N 242.282 1.870 50 1 BDGF O=C(Cl)CC(CC(=O)Cl)C(=O)Cl 85809035 XDQSHBPWPDMDGE-UHFFFAOYSA-N 231.462 1.679 50 1 BDGF N[C@H](CCl)c1nc2cc3c(cc2[nH]1)OCO3 587011721 UJLHEDIOAPTKFZ-RXMQYKEDSA-N 239.662 1.530 50 1 BDGF C[C@H]1[C@H](C)[C@@]2(CCl)OC(=O)[C@@]1(C)OC2=O 2356452443 QDINYLSTNVLZAV-AJSHEINVSA-N 232.663 1.109 50 1 BDGF COCC(=O)Oc1ccc([N+](=O)[O-])cc1 141813465 VQIQBLPBAALGJT-UHFFFAOYSA-N 211.173 1.147 50 1 BDGF COC1=CC(=O)C(O)=C/C1=N\CCCl 29476544 YDGUPFXMGUXHQR-IZZDOVSWSA-N 215.636 1.221 50 1 BDGF CCNP(=O)([N@@]1CC1(C)C)[N@@]1CC1(C)C 1857536031 HOJBCWHCXRRODS-STQMWFEESA-N 231.280 1.892 50 1 BDGF C#CCC12CCC3(C)O[C@@]1(C)OO[C@@]2(C)O3 103022756 JUMYGEWYCTWGKV-WSVSKBAQSA-N 224.256 1.947 50 1 BDGF CN(CC#CCN1CCCC1=O)CCCCl 29392143 KRDUTIOHAJHHON-UHFFFAOYSA-N 242.750 1.173 50 1 BDGF CC(C)(C#N)NNC(=O)c1cccs1 5884738 BCNSZTQWGLZSOJ-UHFFFAOYSA-N 209.274 1.285 50 1 BDGF BrC/C=C/c1nc2cncnc2[nH]1 586974378 VYHPDNSNIUJNPB-OWOJBTEDSA-N 239.076 1.761 50 1 BDGF C[C@H]1[C@@H](C)[C@]2(C)OC(=O)[C@]1(CCl)OC2=O 2356452446 QDINYLSTNVLZAV-OFLNYADTSA-N 232.663 1.109 50 1 BDGF CC(C)=NNC(=O)c1ccc2[nH]c(C)nc2c1 40380167 FXLHJSWCIVSAMA-UHFFFAOYSA-N 230.271 1.997 50 1 BDGF CC(C)OC(=O)C(=O)NNc1ccccc1 1921361 KGHPYESRXGRSND-UHFFFAOYSA-N 222.244 1.081 50 3 BDGF [O-]/[N+](=N\OCCBr)N1CCCC1 34522028 VMSWMPULBDPNBS-NTMALXAHSA-N 238.085 1.286 50 1 BDGF CS(=O)(=O)[C@@H]1C[C@@H]2C[C@H]1[C@H](N=C=S)C2 29479276 WVSWWSJVHYAETB-BZNPZCIMSA-N 231.342 1.301 50 1 BDGF COC(=O)[C@H]1C[C@H]2C[C@H](N=C=S)[C@H]1C2 253634500 PBCHZYKOSIKXPT-JBDRJPRFSA-N 211.286 1.677 50 1 BDGF O=[N+]([O-])c1ccc2c(c1)CN[C@H](CCl)C2 13801460 PPUIGVZNCXQYJZ-VIFPVBQESA-N 226.663 1.848 50 1 BDGF CC12CC/C(=N/NC(N)=O)C3[C@@H]1CCC[C@@H]32 102949294 WMRCJJSQPCMZJI-RCWDPVAGSA-N 221.304 1.857 50 1 BDGF N#CC1=C(N)[C@H]2Cc3ccccc3O[C@@H]2C=C1N 101007210 MGIGNFBFECSGFE-TVQRCGJNSA-N 239.278 1.199 50 1 BDGF N#CC1=C(N)[C@@H]2Cc3ccccc3O[C@@H]2CC1=N 34804337 QFGYTMRQASRUDP-NOZJJQNGSA-N 239.278 1.766 50 1 BDGF CC1(C)Oc2ccc(/C=C/C=O)cc2C[C@H]1O 198502247 XYAOFSKUVJLWLJ-ITDFMYJTSA-N 232.279 1.973 50 1 BDGF CCN/C=C1/C=C(C=O)c2cccnc2C1=O 101644007 BXCZUHWFEZDFLB-CLFYSBASSA-N 228.251 1.354 50 1 BDGF CC(=O)OC(C=Cc1ccccc1)=NNC(N)=O 2356706447 FTSISXQSWDORNE-UHFFFAOYSA-N 247.254 1.245 50 1 BDGF C=C[C@](C)(COC(=O)C(C)=CC)OO 2356644375 DFLZEWKMJGFTBE-SNVBAGLBSA-N 200.234 1.930 50 1 BDGF C[C@@H](O)C(=O)N/N=C\c1cccc2ccccc12 33394440 YKIRRENRKKEYBU-XBDQXEDDSA-N 242.278 1.671 50 1 BDGF O=P(N1C=CC=CC=C1)(N1CC1)N1CC1 169344925 JXDSWRXPNTUWCX-UHFFFAOYSA-N 223.216 1.625 50 1 BDGF Cc1cncc2nc([C@H](N)CCl)[nH]c12 587010011 DVFLTWNHCUGFNN-ZCFIWIBFSA-N 210.668 1.505 50 1 BDGF C/C(CC1[C@H]2CCC[C@H]1C2)=N\NC(N)=O 102921656 XFCNUFWXKHTDGW-KWMFLURBSA-N 209.293 1.857 50 1 BDGF C[n+]1ccccc1CC[C@H](O)CCl 42965780 GGZLRGGDDIAVCT-JTQLQIEISA-N 200.689 1.043 50 1 BDGF C[C@H](Br)c1nc2cnncc2[nH]1 587009106 VLRUMLQOLLDOSJ-BYPYZUCNSA-N 227.065 1.809 50 1 BDGF N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)O 144331341 SWWSSYSMRJFPLE-XZMAOYBGSA-N 243.218 1.963 50 1 BDGF ClCCCn1nnnc1-c1ccccc1 1857634674 XFPMFEGGRIMKIV-UHFFFAOYSA-N 222.679 1.969 50 1 BDGF C/C(N=O)=C(/C)NNC(=O)c1ccccn1 6292582 KBISUJZFXWLYKU-BQYQJAHWSA-N 220.232 1.334 50 3 BDGF COC(=O)Nc1nc(CCN=C=S)cs1 27214707 CKDIJYUNJVYMSB-UHFFFAOYSA-N 243.313 1.967 50 1 BDGF C=C1[C@H](C)C[C@H](C)[C@@H]2[C@H]1CC=C(C=O)[C@@]2(O)C=O 2356589191 CUUXJJXXBLFSTO-BMKCNNPASA-N 248.322 1.910 50 1 BDGF CS(=O)(=O)[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 253701754 LRVKVRBCZASITK-RYPBNFRJSA-N 231.342 1.301 50 1 BDGF NC(=O)N/N=C1\C[C@H]2C[C@@H]1[C@@H]1C=CC[C@H]12 17060213 VFNYTWHRVSBLAG-WBZQXDCNSA-N 205.261 1.243 50 1 BDGF C=C(C#N)[C@@H](O)c1ccc(OC)c(OC)c1 40737326 SWUGRXNCUVFHAY-GFCCVEGCSA-N 219.240 1.817 50 1 BDGF NNC(=O)c1ccc2nc(C=C3CCC3)[nH]c2c1 587965660 VEHIOXSGLOGDJV-UHFFFAOYSA-N 242.282 1.734 50 1 BDGF N[C@H](CCl)c1nc2c(Cl)ccnc2[nH]1 587010318 IRNDVWZGSZTIKW-RXMQYKEDSA-N 231.086 1.850 50 1 BDGF CCO[C@@H]1OC=C(C=O)[C@@H]2[C@H](O)C[C@H](C)[C@@H]12 2356600027 WQULNIFIWNOOTN-FRNCOOQWSA-N 226.272 1.095 50 1 BDGF CC(C)NNC(=O)c1cccc([N+](=O)[O-])c1 169334281 ZGRUGSXDCODQAK-UHFFFAOYSA-N 223.232 1.238 50 1 BDGF CC1=C(C[C@@H]2C(C=O)=C(C)[C@@H]3C[C@@H]23)C(=O)OC1=O 2356493723 DVJSCKNYRQCCDY-GDPRMGEGSA-N 246.262 1.558 50 1 BDGF CC#CC#CC#CC=C1OC[C@H](Cl)[C@@H]2O[C@H]12 2356496011 BMWMYKCPRLRDBC-WCFLWFBJSA-N 232.666 1.305 50 1 BDGF CO/N=C/C1=CC=C(CO)SS1 2001997 UDTOAHSRTUVNHQ-XBXARRHUSA-N 203.288 1.774 50 1 BDGF COc1cc2nc(CBr)[nH]c2cn1 586972340 MUBQWIJCAPIEEI-UHFFFAOYSA-N 242.076 1.861 50 1 BDGF COc1ccc(C(=O)NNC(C)C)cc1 169334289 BNDSOZYCPBITBL-UHFFFAOYSA-N 208.261 1.338 50 1 BDGF COc1cc2nc([C@H](N)CCl)[nH]c2cc1F 587010647 MFRBIXRNNUBJIV-ZCFIWIBFSA-N 243.669 1.949 50 1 BDGF N[C@H](CCl)c1nc2cc3cn[nH]c3cc2[nH]1 587010516 LDSYAJHUSSJJIQ-ZCFIWIBFSA-N 235.678 1.678 50 1 BDGF C[C@@H]1[C@@H](C)[C@@]2(CCl)OC(=O)[C@@]1(C)OC2=O 2356452444 QDINYLSTNVLZAV-FNIZFGCXSA-N 232.663 1.109 50 1 BDGF CC/C=C/C=N/NC(=O)c1ccncc1 45283784 FRYUVTSTYUBOMC-LIDPDAEMSA-N 203.245 1.763 50 1 BDGF Cc1ccc2[nH]cc(/C=N/NC(=O)CC#N)c2c1 1857773525 XZKSTQPBGVBDAT-LZYBPNLTSA-N 240.266 1.840 50 1 BDGF CC1(C)C/C(=N\NC(N)=O)c2cc(O)ccc2O1 98083917 HQXWZRJFKYQYER-NTEUORMPSA-N 249.270 1.326 50 1 BDGF CC1=C(C=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 28827161 MWWCQUFXBRRPCS-AWEZNQCLSA-N 244.290 1.872 50 1 BDGF NC(=O)N/N=C/C=C/c1ccc2c(c1)OCO2 98084491 YHKMNLLJBHWFNY-UTTGRPOPSA-N 233.227 1.083 50 1 BDGF CC=CC1=C(Cl)[C@H](O)[C@H](Cl)[C@H]1O 2356610921 CHSXQUZDKBHQRP-CSMHCCOUSA-N 209.072 1.398 50 1 BDGF Cc1ccc(-c2cc(N)c(C(=O)NN)s2)cc1 958021760 GUCGAAQEZQEVDF-UHFFFAOYSA-N 247.323 1.909 50 1 BDGF C[C@@H]1C(=O)O[C@H]2C[C@@H](C)C(C=O)=CC[C@H]21 2356367293 AACLWACKHXOGDA-IFFSRLJSSA-N 208.257 1.719 50 1 BDGF CCCNNC(=O)/C=C/c1ccccc1 1857563325 OZCDQJDLGNGSGG-CMDGGOBGSA-N 204.273 1.731 50 1 BDGF C/C=C(\C)NNC(=O)Cc1ccc(OC)cc1 36380364 ATAIPSIDQLNOJK-ONNFQVAWSA-N 234.299 1.782 50 1 BDGF O=NN(CCCl)C(=O)Oc1cncnc1 29307505 XERJZJRQJHUOSM-UHFFFAOYSA-N 230.611 1.198 50 1 BDGF C/C(NNC(=O)OC(C)(C)C)=C1\C=CC=N1 15953155 YBNJFLIWJJCDAQ-HJWRWDBZSA-N 223.276 1.888 50 3 BDGF CC(C=O)=CCc1cc(C=O)cc(O)c1O 2356593312 GYXDZVGSSXSODD-UHFFFAOYSA-N 220.224 1.598 50 1 BDGF COOC(=O)c1ccc2c(O)c(O)ccc2c1 43947240 NOXGNAVUUNFWCZ-UHFFFAOYSA-N 234.207 1.969 50 1 BDGF N[C@H](CCl)c1nc2cncc(Cl)c2[nH]1 587009642 AUIIKFLJCABHCE-RXMQYKEDSA-N 231.086 1.850 50 1 BDGF Cc1cnc2[nH]c([C@H](N)CCl)nc2c1 587011980 VQOJJQRVUXBZRH-ZCFIWIBFSA-N 210.668 1.505 50 1 BDGF O=C(NCCCCN=C=S)c1ccncc1 1857580416 REZAPHWAVXKIQL-UHFFFAOYSA-N 235.312 1.694 50 1 BDGF C=C(COC(=O)C(C)=CC)[C@H](C)OO 2356687029 AMMCEABUWWJLGZ-VIFPVBQESA-N 200.234 1.930 50 1 BDGF COc1cc(C(C#N)=C(C#N)C#N)cc(O)c1O 49877785 XLBIJSYYYPBOEZ-UHFFFAOYSA-N 241.206 1.431 50 1 BDGF O=C1[C@@H](Br)[C@H]2CC[C@H]1[C@H]2C(=O)O 263591128 DAWDCUWVWJLJCU-BXKVDMCESA-N 233.061 1.060 50 3 BDGF ClC[C@H](Cl)c1nc2ncc[nH]c-2n1 587007509 DQANIUJYZDICMJ-BYPYZUCNSA-N 217.059 1.823 50 1 BDGF N#C/C=C1\NCCN1Cc1ccc(Cl)nc1 95860194 KRDOQTGTCHDIKP-QDEBKDIKSA-N 234.690 1.505 50 1 BDGF COC(=O)[C@H](CC(C)C)N(O)C(=O)CCl 5420109 KJLMTLDQYWPYMU-ZETCQYMHSA-N 237.683 1.031 50 1 BDGF C[N+](C)(C)CCCCI 13605070 JBNJYEDHSVORBB-UHFFFAOYSA-N 242.124 1.908 50 1 BDGF in-vivo O=[S@]1SC(=S)[C@H]2C=CC=C[C@H]21 195775703 WRTNFGRDPACJHT-CPZGKSPBSA-N 202.325 1.835 50 1 BDGF N#CC(C#N)=Cc1cc(=O)[nH]nc1-c1ccccc1 13442561 VECFQXSCUARFCM-UHFFFAOYSA-N 248.245 1.867 50 1 BDGF N[C@H](CCl)c1nc2ccc(F)cc2[nH]1 587010663 MQMYPSPWGWWYLY-ZCFIWIBFSA-N 213.643 1.941 50 1 BDGF CS(=O)(=O)[C@@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 101235608 LRVKVRBCZASITK-UYXSQOIJSA-N 231.342 1.301 50 1 BDGF CC(C)N/C=C1/C=C(C=O)c2cccnc2C1=O 101646899 IAIMIFAKBALBKF-YFHOEESVSA-N 242.278 1.742 50 1 BDGF CCO[C@@H]1OC=C(C=O)[C@H]2[C@@H]1[C@H](C)C[C@H]2O 2356600026 WQULNIFIWNOOTN-DVYMNCLGSA-N 226.272 1.095 50 1 BDGF COc1cncc2nc(CBr)[nH]c12 586972429 QRUVRHWGGSUWNB-UHFFFAOYSA-N 242.076 1.861 50 1 BDGF N[C@H](CCl)c1nc2cc(Cl)cnc2[nH]1 587010524 LGJRQLOTSSKRFS-RXMQYKEDSA-N 231.086 1.850 50 1 BDGF C[C@H](Cl)c1ccc2c(O)nc(O)nc2n1 587365070 AQCMGIYDYSFIKO-BYPYZUCNSA-N 225.635 1.736 50 1 BDGF CCc1ccc(C(=O)NNCCC#N)cc1 40834401 LIZQUWXMIHNCFR-UHFFFAOYSA-N 217.272 1.397 50 1 BDGF N#C/C(C(=O)Nc1ccc(N)cc1)=C(/O)C1CC1 100785199 MSEVGAMFEOIVNZ-QXMHVHEDSA-N 243.266 1.953 50 1 BDGF C=C(C#N)[C@H](O)c1cc(OC)ccc1OC 40587718 QRUSKTSIVKHBRI-LBPRGKRZSA-N 219.240 1.817 50 1 BDGF O=C(O)CCCNC(=O)NN=C1CCCCC1 28643339 KBOLNFIMFLPUCO-UHFFFAOYSA-N 241.291 1.471 50 1 BDGF CC=CC1=C(Cl)[C@H](O)[C@@H](Cl)[C@@H]1O 2356610924 CHSXQUZDKBHQRP-RNJXMRFFSA-N 209.072 1.398 50 1 BDGF O=C(N/N=C/c1nccs1)c1ccccn1 95808626 OFYVZWQBZQQEGY-NTUHNPAUSA-N 232.268 1.302 50 1 BDGF CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(N)=O)C2 100098097 QCEFOIDJHJPYIB-QRXJGSHGSA-N 209.293 1.857 50 1 BDGF CN(C)P(=O)(N1CC1(C)C)N1CC1(C)C 44323066 UPFIZZQXSROILW-UHFFFAOYSA-N 231.280 1.845 50 1 BDGF COc1cc2nc([C@H](N)CCl)[nH]c2cn1 587011263 QJRHDLKBOMQBAO-RXMQYKEDSA-N 226.667 1.205 50 1 BDGF CN(C)[P@@](=O)([N@]1CC1(C)C)[N@@]1CC1(C)C 1857536057 UPFIZZQXSROILW-AGGWBTHJSA-N 231.280 1.845 50 1 BDGF CC1=C(COC(=O)c2ccccc2)C(=O)OC1=O 98085068 UGBQFJBACDBWPQ-UHFFFAOYSA-N 246.218 1.243 50 1 BDGF C[Si]1(C)OB(O)c2ccc(Cl)c(Cl)c21 1857616629 UEBFHFQDVRPMDJ-UHFFFAOYSA-N 246.962 1.123 50 1 BDGF O=C(Cc1ccccc1)NN/C=C1/C=CC=N1 13118946 XUZAQKHBRBDVIT-BENRWUELSA-N 227.267 1.332 50 3 BDGF C=C1C[C@@](C)(CBr)OC1=O 1911582197 MVDCVFTVIPDPGU-ZETCQYMHSA-N 205.051 1.643 50 1 BDGF CC(=CC=NNC(N)=O)c1ccccc1 2356762322 RLOGXRXJCMJVRS-UHFFFAOYSA-N 203.245 1.744 50 1 BDGF C[C@H]1[C@H](C)[C@@]2(CCl)OC(=O)[C@]1(C)OC2=O 238766469 QDINYLSTNVLZAV-DWAQLAQLSA-N 232.663 1.109 50 1 BDGF C=C(C=O)[C@H]1Cc2c(ccc(C(C)=O)c2O)O1 238746687 XXLABZQBOVMNJO-GFCCVEGCSA-N 232.235 1.653 50 1 BDGF OC[C@H]1[C@@H](Cl)N=NN1c1ccccc1 169728075 YVLWGOPVYTWNBP-IUCAKERBSA-N 211.652 1.800 50 1 BDGF O=[S@@]1SC(=S)[C@H]2C=CC=C[C@@H]21 31904882 WRTNFGRDPACJHT-BVMVBECYSA-N 202.325 1.835 50 1 BDGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](O)[C@H]2Br 299815778 YFOGAKDZBMEIPI-BNJNZJEJSA-N 247.132 1.746 50 1 BDGF O=[S@]1SC(=S)[C@H]2C=CC=C[C@@H]21 5835780 WRTNFGRDPACJHT-ZJXQECPTSA-N 202.325 1.835 50 1 BDGF N#Cc1cccc2nc([C@H](N)CCl)[nH]c12 587010433 KKDZXDCCQFIVCM-SSDOTTSWSA-N 220.663 1.673 50 1 BDGF COC(=O)[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 253632899 DCALCCIPFVJFMU-KDXUFGMBSA-N 211.286 1.677 50 1 BDGF O=C1[C@H]2CC[C@H]([C@H]1Br)[C@@H]2C(=O)O 263591129 DAWDCUWVWJLJCU-OMMKOOBNSA-N 233.061 1.060 50 3 BDGF CCO[C@@H]1OC=C(C=O)[C@H]2[C@@H]1[C@@H](C)C[C@H]2O 2356600028 WQULNIFIWNOOTN-KICMGLQKSA-N 226.272 1.095 50 1 BDGF N#CC(C#N)=C(C#N)c1ccc(O)c(O)c1 44430798 ORMGLUKCDQMGKV-UHFFFAOYSA-N 211.180 1.422 50 1 BDGF CC12CCC3(C[C@@H]4CO4)[C@](C)(OO[C@@]3(C)O1)O2 95557345 JDXUMISUWIYYKD-BURVXQHBSA-N 242.271 1.713 50 1 BDGF CCCCNNC(=O)c1ccc(OC)cc1 206502825 RFMNSSZOADXOBU-UHFFFAOYSA-N 222.288 1.730 50 1 BDGF N#CC1=C(N)[C@H]2Cc3ccccc3O[C@H]2C=C1N 101007206 MGIGNFBFECSGFE-ZANVPECISA-N 239.278 1.199 50 1 BDGF CC1(C)CCC(=O)[C@@H]2OO[C@H]3C[C@]21CC[C@H]3O 2356829258 IWPQCLJNZZYEJO-HFHAKLMTSA-N 240.299 1.606 50 1 BDGF COc1c(C=CC=O)cc2c(c1OC)OCO2 2356777381 UQBPCDWQJZVCPU-UHFFFAOYSA-N 236.223 1.645 50 1 BDGF CC(=O)NNc1nncc(-c2ccc(C)cc2)n1 33865581 YSJJYNFITPKKHQ-UHFFFAOYSA-N 243.270 1.310 50 1 BDGF O=C(NCBr)c1ccc(Cl)cn1 1857768611 BBWJWVDCFZRBCA-UHFFFAOYSA-N 249.495 1.817 50 1 BDGF C[C@H]1OC(=O)c2c(O)cc(O)cc2[C@H]1Cl 13459804 WYUIOVYIGXNMKO-MOFOKWOHSA-N 228.631 1.937 50 1 BDGF O=C(NNc1cccccc1=O)c1ccccc1 1000393 SKHJMBYNHAVZJA-UHFFFAOYSA-N 240.262 1.804 50 1 BDGF N#C/C(=C\COC(=O)c1ccccc1)CO 40479504 GFLAMODGLIQLSN-UXBLZVDNSA-N 217.224 1.286 50 1 BDGF CC#CC#CC#C/C=C1\OC[C@@H](Cl)[C@H]2O[C@@H]12 238775932 BMWMYKCPRLRDBC-PRUIDDLISA-N 232.666 1.305 50 1 BDGF O=[S@@](Cc1ccccc1)SCCO 13376402 XYTFNAGXLVIKGJ-ZDUSSCGKSA-N 216.327 1.576 50 1 BDGF CN(C)CC[S@@](=O)CCCCN=C=S 1857587722 CFGFOFHKLPRZTM-AWEZNQCLSA-N 234.390 1.180 50 1 BDGF CC12CCC3(C)[C@](C)(OO[C@@]3(C)O1)O2 103016679 GHEBYCZKGJSNAU-OXYCZDQYSA-N 200.234 1.944 50 1 BDGF Oc1ncnc2[nH]c([C@H](Cl)CCl)nc12 587007972 KAKPMQPZPXNQDI-GSVOUGTGSA-N 233.058 1.577 50 1 BDGF Nc1ncnc2[nH]c([C@H](Cl)CCl)nc12 587008259 MVHNHEJSDDFZTN-GSVOUGTGSA-N 232.074 1.454 50 1 BDGF C[C@H](Br)c1nc2cc[nH]c(=N)c2[nH]1 587009011 RDGJEPNNPWQJRE-BYPYZUCNSA-N 241.092 1.826 50 1 BDGF CC(=O)c1ccc(O)c(CC=C(C)C=O)c1O 2356643544 WJJWTOLGRVKJLV-UHFFFAOYSA-N 234.251 1.988 50 1 BDGF C[C@H](Br)c1nc2cc(=N)[nH]cc2[nH]1 587008208 KBLSIAXPXASXGD-BYPYZUCNSA-N 241.092 1.826 50 1 BDGF CC(=O)OCC=C(C)C(=O)C=CC(C)(C)OO 2356657671 PQAJZYILANCGCZ-UHFFFAOYSA-N 242.271 1.889 50 1 BDGF Cc1occc1C(=O)N/N=C/c1cnn(C)c1C 371631 HGEMHQLEZQWHRL-AWNIVKPZSA-N 246.270 1.394 50 3 BDGF CC1(C)C(=O)C=C[C@]2(C)OO[C@H](CCO)C[C@@H]12 2356646868 RTYVIKVTXQPRGP-NRUUGDAUSA-N 240.299 1.629 50 1 BDGF CCOC(=O)/C(C#N)=C/c1ccc(CO)o1 1637656 ALTDTSSIBTUZCU-VMPITWQZSA-N 221.212 1.242 50 1 BDGF O=C(O)CCSSc1cccc[n+]1[O-] 45167604 JLQVKKHADUKOHA-UHFFFAOYSA-N 231.298 1.535 50 1 BDGF CCN[P@@](=O)([N@]1CC1(C)C)[N@@]1CC1(C)C 1857536029 HOJBCWHCXRRODS-AGGWBTHJSA-N 231.280 1.892 50 1 BDGF C=C1C(=O)O[C@@H]2CC[C@H](CBr)[C@]12O 1772623878 CJYRKOAMTMHCCK-ZXFLCMHBSA-N 247.088 1.004 50 1 BDGF CC(=O)O[C@@H]1C[C@@H]2C[C@@H](Cl)C[C@@H]1N2C 169350799 RFOPZQIWRBGGQZ-XFWSIPNHSA-N 217.696 1.392 50 1 BDGF O=[P@]1(NCCF)OCCCN1CCCl 101474212 ZDAKEVOBNAAFGU-CQSZACIVSA-N 244.634 1.615 50 1 BDGF OC[C@@H]1[C@@H](Cl)N=NN1c1ccccc1 169728074 YVLWGOPVYTWNBP-BDAKNGLRSA-N 211.652 1.800 50 1 BDGF COC(=O)C1=C[C@]23CCCC[C@@H]2O[C@@]1(C)OO3 96934003 SOQKJEHXIQAKFH-ZMLRMANQSA-N 240.255 1.475 50 1 BDGF C[C@@H]1OC(=O)c2c(O)cc(O)c(O)c2[C@@H]1Cl 13385869 FXVNXBBYKCQDIS-FIQSIYOXSA-N 244.630 1.642 50 1 BDGF CNP(=O)([N@@]1CC1(C)C)[N@@]1CC1(C)C 1857536061 KOMZEUJNYSDTOF-RYUDHWBXSA-N 217.253 1.502 50 1 BDGF C[n+]1ccccc1CC[C@@H](O)CCl 42965782 GGZLRGGDDIAVCT-SNVBAGLBSA-N 200.689 1.043 50 1 BDGF Oc1nncc2nc([C@@H](Cl)CCl)[nH]c12 587008682 QILGPNPWVZHCAZ-VKHMYHEASA-N 233.058 1.577 50 1 BDGF NCCCC(=O)N/N=C1\CCCc2ccccc21 103195534 GWLSXHCWGUHWFX-DTQAZKPQSA-N 245.326 1.582 50 1 BDGF COC(=O)[C@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 100803307 DCALCCIPFVJFMU-XGEHTFHBSA-N 211.286 1.677 50 1 BDGF C[C@@H]1NC(=O)[C@H](C#N)[C@H](C)[C@H]1Br 618012063 YZTSPFGLNNAOEU-VWDOSNQTSA-N 231.093 1.044 50 1 BDGF CC(=O)OC/C=C(\C)C(=O)/C=C/C(C)(C)OO 219491782 PQAJZYILANCGCZ-PDTNFJSOSA-N 242.271 1.889 50 1 BDGF CCNP(=O)([N@]1CC1(C)C)[N@]1CC1(C)C 1857536030 HOJBCWHCXRRODS-CHWSQXEVSA-N 231.280 1.892 50 1 BDGF O=[S@]1SC(=S)[C@H]2C=CC=N[C@@H]21 5835791 XLDAYWQKBYTOEC-LNJITKNMSA-N 203.313 1.307 50 1 BDGF Oc1cc2c(cc1O)C[C@@H](NCCCl)CC2 29550875 ZZPQYFRULODCRR-JTQLQIEISA-N 241.718 1.784 50 1 BDGF Oc1nccc2nc(CBr)[nH]c12 586972411 QBRHSMSKZCCPLO-UHFFFAOYSA-N 228.049 1.558 50 1 BDGF ClC[C@@H](Cl)c1nc2cnncc2[nH]1 587007551 FPGOCNICDXAREB-SCSAIBSYSA-N 217.059 1.872 50 1 BDGF C/C(=N\NC(=O)c1cccs1)c1cnccn1 28964357 DBCFYYIIQKPUPB-RIYZIHGNSA-N 246.295 1.692 50 1 BDGF CN1C(=O)C(=C(C#N)C#N)c2cc(O)ccc21 13822323 LTRIUTQNCXXORF-UHFFFAOYSA-N 225.207 1.169 50 1 BDGF CS(=O)(=O)[C@@H]1CCC[C@H](CN=C=S)C1 29468338 QZRFYFSUCVLHML-DTWKUNHWSA-N 233.358 1.693 50 1 BDGF C=CCNC1=NC[C@H](Br)CS1 82052321 BKAAKGHSDWVOTF-LURJTMIESA-N 235.150 1.628 50 1 BDGF COc1ccc2cc(NCC(=O)NN)ccc2c1 5929155 ZOZNVOTULWXEEY-UHFFFAOYSA-N 245.282 1.250 50 1 BDGF C=C(C#N)[C@H](O)c1ccc(OC)c(OC)c1 40737330 SWUGRXNCUVFHAY-LBPRGKRZSA-N 219.240 1.817 50 1 BDGF N[C@H](CCl)c1nc2ccc(CO)cc2[nH]1 587009847 CAUMHYQFLNYQSQ-SSDOTTSWSA-N 225.679 1.294 50 1 BDGF CCCCN(N=O)C(=O)CCC(=O)OCC 5821149 HMPMUMHAXRUBCH-UHFFFAOYSA-N 230.264 1.640 50 1 BDGF CO/C(O)=C(C#N)/C=N/c1ccccn1 103538184 NGWHLUILMPJKIM-YJDDGFGUSA-N 203.201 1.723 50 1 BDGF CC1(C)C(=O)C=C[C@]2(C)OO[C@@H](CCO)C[C@@H]12 2356646867 RTYVIKVTXQPRGP-KWBADKCTSA-N 240.299 1.629 50 1 BDGF C=C(Br)S(=O)(=O)OCCCl 1574867 QVKBYKPPSSMKIW-UHFFFAOYSA-N 249.513 1.438 50 1 BDGF C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@H](Cl)[C@@H]1C 2356793651 HJWWNKBZDCEMPH-RGOKHQFPSA-N 230.691 1.649 50 1 BDGF CC1=C(C)C(=O)c2c(nc(CCl)n2C)C1=O 38364230 BHDRVPJPQDFLHJ-UHFFFAOYSA-N 238.674 1.874 50 1 BDGF CC=CC1=C(Cl)[C@H](O)[C@@H](Cl)[C@H]1O 2356610922 CHSXQUZDKBHQRP-FXQIFTODSA-N 209.072 1.398 50 1 BDGF O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2[C@@H]3C=C[C@@H]3[C@@H]12 195517051 UOHVXCZAZIYNAK-DRJBFLBISA-N 228.247 1.166 50 1 BDGF Oc1nc(O)c2ccc(CCCCl)nc2n1 587368356 HTDSNHUEPUHOMQ-UHFFFAOYSA-N 239.662 1.607 50 1 BDGF COc1ccc(OC)c(NC[C@H](O)CCl)c1 71329890 UZRLDCKBPGQAHV-MRVPVSSYSA-N 245.706 1.715 50 1 BDGF COc1ccc(CSS(C)(=O)=O)cc1 26382063 QVMFCAZAGCXZKM-UHFFFAOYSA-N 232.326 1.888 50 1 BDGF COc1ccc(/C=C/C=O)c2c1OCO2 238732877 QMZBSVAOYOMTPD-NSCUHMNNSA-N 206.197 1.636 50 1 BDGF CCC#CNOOC[C@H]1CCC[C@@H](C(=O)O)C1 101324565 MCEZUEGUFNMZNA-WDEREUQCSA-N 241.287 1.701 50 1 BDGF CC/C=N\N1C(N)=C(C#N)C(C#N)(C#N)[C@H]1CC 5822516 HGZUROCVIZWLIG-DMXJUDMZSA-N 242.286 1.204 50 1 BDGF N#CC1=C(N)[C@H]2Cc3ccccc3O[C@@H]2CC1=N 34804339 QFGYTMRQASRUDP-TVQRCGJNSA-N 239.278 1.766 50 1 BDGF O=C1OC(=O)c2c1[nH]cc1nc3ccccc3c2-1 100728955 AMINMROIUKEAFE-UHFFFAOYSA-N 238.202 1.978 50 1 BDGF C[C@@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1C=O 2356367295 AACLWACKHXOGDA-OYBPUVFXSA-N 208.257 1.719 50 1 BDGF CC1(C)[C@H]2CC(=O)[C@]1(C)[C@@H](O)[C@@H]2Br 31852547 YFOGAKDZBMEIPI-LHGNLISDSA-N 247.132 1.746 50 1 BDGF COc1ccc(OC/C=C(\C#N)CO)cc1 40698662 BJWZQROQLDCAIH-UXBLZVDNSA-N 219.240 1.516 50 1 BDGF CCN1/C(=C(\C#N)n2ccnc2)SC[C@H]1C 101240011 WMPXYQURTNULAB-ZAGORRGESA-N 234.328 1.990 50 1 BDGF O=C(N/N=C/c1cccs1)c1ccc[nH]1 7903049 CUGWKBBKEOCAIS-KPKJPENVSA-N 219.269 1.840 50 1 BDGF O=C(/C=C/c1ccc([N+](=O)[O-])o1)NCCCl 35940472 IFNQCSHIYSAFNR-HNQUOIGGSA-N 244.634 1.556 50 1 BDGF O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@@]1(O)OO2 253634697 UJWRFHVPSREDON-KKOKHZNYSA-N 228.288 1.706 50 1 BDGF COC(=O)[C@H]1C[C@H]2C[C@H]1C[C@@H]2N=C=S 103148638 DCALCCIPFVJFMU-KZVJFYERSA-N 211.286 1.677 50 1 BDGF CC#CC#CC#CC#CC=C[C@@H](O)CCl 2356421666 QIDRAFKJVDCEGO-CYBMUJFWSA-N 216.667 1.176 50 1 BDGF CC1(C)[C@@H]2CC=C(/C=N/NC(N)=O)[C@@H]1C2 101665283 HGKFDXYMYDSWIH-XUSBUWGGSA-N 207.277 1.633 50 1 BDGF O=C(O)CCCC[C@@H]1CCS[S@]1=O 79087624 NTBXHTYZOVLARS-UHLUBPPHSA-N 222.331 1.801 50 1 BDGF O=C(O)[C@H]1C=CC(CBr)=CC1 26270562 BZRNNESIJWWEOJ-ZETCQYMHSA-N 217.062 1.968 50 1 BDGF O=C(NCCCCN=C=S)c1ccno1 1857563506 HJIGQIYDDJDZIH-UHFFFAOYSA-N 225.273 1.287 50 1 BDGF Cc1ccc(/C=C(\C#N)Cn2cnnn2)cc1 169321241 WDCZDJQMZFWKNR-WUXMJOGZSA-N 225.255 1.589 50 1 BDGF O=C(Cl)C1=Cc2ccccc2CC1=O 27201891 XORKLRHFDSKKQF-UHFFFAOYSA-N 206.628 1.961 50 1 BDGF N[C@H](CCl)c1nc2ccc(Cl)nc2[nH]1 587011387 RODWOEYDBOVHRT-SCSAIBSYSA-N 231.086 1.850 50 1 BDGF COC(=O)[C@@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253632897 DCALCCIPFVJFMU-JQCXWYLXSA-N 211.286 1.677 50 1 BDGF CS(=O)(=O)[C@H]1C[C@H]2C[C@@H](N=C=S)[C@H]1C2 102284221 WVSWWSJVHYAETB-BGZDPUMWSA-N 231.342 1.301 50 1 BDGF CN(C)C[C@H]1C[C@H](CN(C)C)SS1 103280438 BUEWIWJJHJEUDU-RKDXNWHRSA-N 220.407 1.632 50 1 BDGF N=c1[nH]ccc2nc([C@H](Cl)CCl)[nH]c12 587008980 TZMWGHNFACKMOO-SCSAIBSYSA-N 231.086 1.889 50 1 BDGF Cc1ccc(-n2nc(C)cc2C(=O)NN)cc1 957993423 FCCFNTHUGZJTEU-UHFFFAOYSA-N 230.271 1.093 50 1 BDGF CC1=CC2=C(C=O)C(=O)[C@@](C)(O)[C@H](C)C2=CO1 2356640630 KQQNJGOEIIVEGU-OQPBUACISA-N 234.251 1.270 50 1 BDGF O=C(NN/C=C1/C=CC=N1)c1ccc(O)cc1 13130847 VMYOQJSGLNVFTN-NTMALXAHSA-N 229.239 1.109 50 3 BDGF NC(=O)N/N=C1\C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 169356186 VFNYTWHRVSBLAG-CVMGTZCOSA-N 205.261 1.243 50 1 BDGF CC(C=NNC(N)=O)=CCCc1ccoc1 2356455418 SMWFTKGODVEGRR-UHFFFAOYSA-N 221.260 1.813 50 1 BDGF COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29476490 DCALCCIPFVJFMU-BGZDPUMWSA-N 211.286 1.677 50 1 BDGF CC(C)(O)[C@@H]1Cc2cc(C=CC=O)ccc2O1 2356416935 LEFHHOBVSOTJCX-ZDUSSCGKSA-N 232.279 1.973 50 1 BDGF CC12CC/C(=N/NC(N)=O)C3[C@H]1CCC[C@H]32 102949292 WMRCJJSQPCMZJI-JOGWETKRSA-N 221.304 1.857 50 1 BDGF COc1cc(/C=C/C=O)c2c(c1OC)OCO2 14762085 PUJRAIAIDSMJAV-ONEGZZNKSA-N 236.223 1.645 50 1 BDGF N#C/C=C/c1cnn(Cc2ccccc2)c(=O)c1 40587823 VOSJLQJLHSRNCU-QPJJXVBHSA-N 237.262 1.828 50 1 BDGF CCNP(=O)(N1CC1(C)C)N1CC1(C)C 44118215 HOJBCWHCXRRODS-UHFFFAOYSA-N 231.280 1.892 50 1 BDGF NC(=O)NN=C1CCN2CCCc3cccc1c32 5010432 UVGFNXHHNWNTKR-UHFFFAOYSA-N 244.298 1.215 50 3 BDGF O=C(NCCCl)N(CCO)C1CCCCC1 26399377 HPLBZZVAUWFZTK-UHFFFAOYSA-N 248.754 1.562 50 1 BDGF CC=C(C=O)[C@H]1CC(=O)OC=C1OC(C)=O 2356743799 DIQUDZWYJYGQGV-SECBINFHSA-N 224.212 1.099 50 1 BDGF CCSC[C@H](NC(C)=O)C(=O)CCl 27629346 VFUXOBHYELMKFQ-ZETCQYMHSA-N 223.725 1.052 50 1 BDGF CCN1/C(=C(\C#N)n2ccnc2)SC[C@@H]1C 101240015 WMPXYQURTNULAB-BLUPIXKYSA-N 234.328 1.990 50 1 BDGF N#CC1=C(N)[C@@H]2Cc3ccccc3O[C@H]2C=C1N 101007204 MGIGNFBFECSGFE-RNCFNFMXSA-N 239.278 1.199 50 1 BDGF O=C(O)C[C@@H](NC(=O)CCl)c1ccco1 36421317 MFHGGSGGQIAIQP-ZCFIWIBFSA-N 231.635 1.150 50 1 BDGF CSCSS(=O)(=O)CSC 13378343 ZEOQFQWTAWCRFR-UHFFFAOYSA-N 218.390 1.690 50 1 BDGF CC(C)[C@H](N)C(=O)OC(=O)c1ccccc1 49756511 SSOHKIPREPFSNY-JTQLQIEISA-N 221.256 1.353 50 1 BDGF CNc1ccccc1N(C)C(=O)CCl 103194162 KGVYNNNRGARFHT-UHFFFAOYSA-N 212.680 1.930 50 1 BDGF C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1C=O 473085965 AACLWACKHXOGDA-URPMGSGRSA-N 208.257 1.719 50 1 BDGF CC(C)NNC(=O)Cc1c[nH]c2ccccc12 2018842 IKDUWSZVJGHVLZ-UHFFFAOYSA-N 231.299 1.740 50 1 BDGF O=C1C=C2CCC[C@@H]3C[C@@H]4OO[C@@]23[C@H](O1)O4 101304091 HBRSXPJMIVJFSC-DQDDRIPDSA-N 224.212 1.043 50 1 BDGF C[C@H](Nc1ccc2ccccc2c1)C(=O)NN 5929373 VZGYCWCBDPDMNT-VIFPVBQESA-N 229.283 1.630 50 1 BDGF C/C(O)=C(\C#N)C(=O)Nc1ccc(C#N)cc1 100575970 CJLVNIUFPOODAD-FLIBITNWSA-N 227.223 1.852 50 1 BDGF N[C@H](CCl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587010110 GLBRAVOLIJTBRM-RXMQYKEDSA-N 241.638 1.105 50 1 BDGF N[C@@H](CBr)[C@@H](O)c1ccccc1 28364809 CBBFBXSTCVKFBX-IUCAKERBSA-N 230.105 1.442 50 1 BDGF C[C@@]12CC[C@@]3(C[C@H]4CO4)[C@](C)(OO[C@@]3(C)O1)O2 254092487 JDXUMISUWIYYKD-KKJSVHSVSA-N 242.271 1.713 50 1 BDGF Oc1nc(O)c2nc([C@H](Cl)CCl)[nH]c2n1 587009310 ZRNOVXVAVMDFRD-UWTATZPHSA-N 249.057 1.283 50 1 BDGF CS(=O)(=O)[C@H]1C[C@H]2C[C@H]1[C@H](N=C=S)C2 102284212 WVSWWSJVHYAETB-MAUMQABQSA-N 231.342 1.301 50 1 BDGF C[C@H]1OO[C@@H](COCc2ccccc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c1ccc2ncccc2c1 5929854 DBTZQPYPILRVAB-SECBINFHSA-N 244.298 1.415 50 1 BDGF C=C1[C@@H](C)C[C@@H](C)[C@H]2[C@@H]1CC=C(C=O)[C@]2(O)C=O 238746130 CUUXJJXXBLFSTO-MGZPQWHJSA-N 248.322 1.910 50 1 BDGF OC[C@H]1[C@H](Cl)N=NN1c1ccccc1 169728077 YVLWGOPVYTWNBP-DTWKUNHWSA-N 211.652 1.800 50 1 BDGF O=NN(CCCl)C(=O)N[C@H]1CC[C@H](O)CC1 103008013 BTNKSMIZKSHDNT-OCAPTIKFSA-N 249.698 1.222 50 1 BDGF O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@@H]1O 5133917 STQSMIAHSQBRBH-SFYZADRCSA-N 249.698 1.222 50 1 BDGF [O-][n+]1onc2ccc(CBr)cc21 39076609 PPJXFQORUAVJNT-UHFFFAOYSA-N 229.033 1.356 50 1 BDGF N[C@H](CCl)c1nc2cccc(C(=O)O)c2[nH]1 587010407 JXVNWTAPLYBIPZ-ZCFIWIBFSA-N 239.662 1.500 50 1 BDGF O[C@@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 169314373 UJWRFHVPSREDON-NNYUYHANSA-N 228.288 1.706 50 1 BDGF C[n+]1ccn(COCCCCCl)c1/C=N/O 28770060 UCFYRHSICPROPO-UHFFFAOYSA-O 246.718 1.114 50 1 BDGF Cc1ccc(/N=C/c2cccc(B(O)O)c2)cc1 653891094 CSEXTFWQPOXZAO-MHWRWJLKSA-N 239.083 1.425 50 1 BDGF CCN1CCS/C1=C(/C#N)n1ccnc1 100818762 AEZSGHSIAAGEAW-KTKRTIGZSA-N 220.301 1.601 50 1 BDGF C[C@@]12C[C@H]3CCC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 42988830 KCPIDVIWISPVSC-FFVUVFKMSA-N 240.255 1.513 50 1 BDGF O=[N+]([O-])c1cccc2c1nnn2CCCCl 1772630782 RVPHXIMSVVMKIG-UHFFFAOYSA-N 240.650 1.968 50 1 BDGF O=C(O)CCCCCC(=O)NNC1=CCCC1 957682755 BREXEKGAUVNBEH-UHFFFAOYSA-N 240.303 1.710 50 1 BDGF C/C=C(/C=O)c1c(OC)cc(=O)oc1C 38951692 CFTVNLCXUPFJDY-YWEYNIOJSA-N 208.213 1.559 50 1 BDGF CCOC(=O)CSC(=O)NCCCl 1543060 GOLLXOZWBUZFAO-UHFFFAOYSA-N 225.697 1.231 50 1 BDGF CCC#CNOOCc1ccc([C@@H](N)N=O)cc1 957684361 PVSLBCJAGGYLFH-LBPRGKRZSA-N 249.270 1.734 50 1 BDGF COC(=O)[C@H]1NC(=O)CCSSC1(C)C 5963925 IYNHYMJKHHXKAT-SSDOTTSWSA-N 249.357 1.208 50 1 BDGF Cc1cc(OC(=O)N(C)C)ccc1[N+](=O)[O-] 103181897 DVDXGBAOKGCDHT-UHFFFAOYSA-N 224.216 1.964 50 1 BDGF N[C@H](CCl)c1nc2ccnc(Cl)c2[nH]1 587010485 KTTFBQFZFHMJAX-SCSAIBSYSA-N 231.086 1.850 50 1 BDGF CC1(C)CCC(=O)[C@H]2OO[C@H]3C[C@]21CC[C@@H]3O 2356829261 IWPQCLJNZZYEJO-MVVXRAEJSA-N 240.299 1.606 50 1 BDGF CC1(C)C=C2[C@H](C[C@H]1Br)OC[C@@H]2O 13379503 HNULJAOABSCBIT-XHNCKOQMSA-N 247.132 1.866 50 1 BDGF OB(O)c1cccc(/N=N/c2ccc(O)cc2)c1 170057355 SCBQEMSFONUNEP-CCEZHUSRSA-N 242.043 1.487 50 1 BDGF CC(C)(O)[C@@H]1Cc2cc(C=O)cc(OO)c2O1 238754690 QFAOAHBSGCCQFF-JTQLQIEISA-N 238.239 1.425 50 1 BDGF N[C@H](CCl)c1nc2cc(Cl)ncc2[nH]1 587011717 UEJBQIILKLKWFG-SCSAIBSYSA-N 231.086 1.850 50 1 BDGF C=C1C(=O)O[C@@H]2C[C@@H](C)C(C=O)=CC[C@H]12 2356335640 BUGXCAHSFQQFOX-AVPPRXQKSA-N 206.241 1.639 50 1 BDGF Cc1ccnc2[nH]c([C@H](N)CCl)nc12 587010320 ITTOGFNFKNOZDF-ZCFIWIBFSA-N 210.668 1.505 50 1 BDGF COC(=O)/C=C(\C#N)c1ccc(F)cc1 263621043 SKAOSLYCNKRRPS-RMKNXTFCSA-N 205.188 1.906 50 1 BDGF in-vitro CC/C=C/C1=C(CCC(=O)O)C(=O)OC1=O 85547528 KMMGWWCKVLBXLF-ONEGZZNKSA-N 224.212 1.197 50 1 BDGF O=C(N/N=C/c1ccc[nH]1)c1ccc[nH]1 653707396 DKUKLSMLNXAKNO-NTUHNPAUSA-N 202.217 1.107 50 1 BDGF O=C(NCCCCN=C=S)c1cccnc1 1857545659 DKEPIYYPCQIXTH-UHFFFAOYSA-N 235.312 1.694 50 1 BDGF C[C@@H]1C(=O)O[C@H]2C[C@@H](C)C(C=O)=CC[C@@H]21 2356367294 AACLWACKHXOGDA-MKHNBGRSSA-N 208.257 1.719 50 1 BDGF COc1cc([C@H](O)[C@@H](O)CCl)ccc1O 15112861 YGHRQWKTVXMGDU-WPRPVWTQSA-N 232.663 1.034 50 1 BDGF endogenous,in-man CC[C@@H]1CC(C)(C)OO[C@@H]1[C@H](O)COC(C)=O 72114251 QXBKWLKQKMHXME-MXWKQRLJSA-N 246.303 1.436 50 1 BDGF CC#CC#CC#CC=C1OC[C@H](Cl)[C@@H]2O[C@@H]12 2356496009 BMWMYKCPRLRDBC-DRZSPHRISA-N 232.666 1.305 50 1 BDGF O=C(N/N=C/c1ccco1)c1ccc[nH]1 7903136 IXTFNIMDYQBBCJ-KPKJPENVSA-N 203.201 1.372 50 1 BDGF O=[S@]1SC(=S)[C@@H]2C=CC=C[C@H]21 4614310 WRTNFGRDPACJHT-WHHMAUIRSA-N 202.325 1.835 50 1 BDGF C=C(COC(=O)/C(C)=C\C)[C@H](C)OO 238735682 AMMCEABUWWJLGZ-PGBBXKAQSA-N 200.234 1.930 50 1 BDGF O=C/C=C/C=C/C(=O)NCCc1ccccc1 14619632 CHTYYNQOODAUGQ-VDESZNBCSA-N 229.279 1.657 50 1 BDGF NCCCC(=O)N/N=C1\CCc2ccccc2C1 103186985 BHNOAUKDVALIKT-DTQAZKPQSA-N 245.326 1.386 50 1 BDGF CC1=C(C=CCCCC=CCO)C(=O)OC1=O 2356615201 YYVDIYHSDASGBV-UHFFFAOYSA-N 236.267 1.661 50 1 BDGF C[C@@]12O[C@@H]([C@H]3OO[C@H]1O3)[C@H]1CCCC[C@H]2C1=O 103208120 LZSYCIAQNKNIQO-MSPHSMNZSA-N 240.255 1.164 50 1 BDGF O=C(N/N=C\c1ccsc1)c1ccccn1 33385706 COYSMELCRUFHGH-QPEQYQDCSA-N 231.280 1.907 50 1 BDGF O=C(N/N=C\c1ccoc1)c1ccco1 33309659 HMWGHOLDJISTGX-WDZFZDKYSA-N 204.185 1.637 50 3 BDGF CC1=C(/C=C/CCCC[C@H](C)O)C(=O)OC1=O 140831110 AEYAUJJXGSCJRE-ORZBULNSSA-N 238.283 1.884 50 1 BDGF NNC(=O)c1c(N)sc2c1CCCCC2 102888994 PPNSKPIAWDTFMX-UHFFFAOYSA-N 225.317 1.203 50 1 BDGF CC1(C)C[C@H]2[C@H](C=C(C=O)[C@@H]3C(=O)[C@@H](O)[C@]23C)C1 85639922 LBCMHKJZRUVMJR-ICGCPXGVSA-N 248.322 1.744 50 1 BDGF O=CC1=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2O1 2356725605 QPMUFVUFCULNPS-ZWNOBZJWSA-N 228.203 1.163 50 1 BDGF CC1(C)CCC(=O)[C@H]2OO[C@H]3C[C@]21CC[C@H]3O 2356829259 IWPQCLJNZZYEJO-IHXVIFPJSA-N 240.299 1.606 50 1 BDGF Clc1ncc2nc(CBr)nc-2[nH]1 586970763 GETQUAHTJGZYMK-UHFFFAOYSA-N 247.483 1.853 50 1 BDGF N=c1cc2nc([C@H](Cl)CCl)[nH]c2c[nH]1 587008675 QGFCFSACYHQATM-SCSAIBSYSA-N 231.086 1.889 50 1 BDGF O=C(N/N=C\C(F)(F)F)c1ccncc1 6004441 RTZXLZYMFHIQAA-ACAGNQJTSA-N 217.150 1.360 50 1 BDGF COC(=O)[C@H]1CC(C)(C)OO[C@@]1(C)OC 82153179 LIPXGVZMYMGHEY-GMSGAONNSA-N 218.249 1.269 50 1 BDGF C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@@H](Cl)[C@H]1C 2356793649 HJWWNKBZDCEMPH-AXTSPUMRSA-N 230.691 1.649 50 1 BDGF CS(=O)(=O)[C@H]1C[C@@H]2C[C@H]1[C@H](N=C=S)C2 29479278 WVSWWSJVHYAETB-XAVMHZPKSA-N 231.342 1.301 50 1 BDGF O=[P@@]1(NCCF)OCCCN1CCCl 26383685 ZDAKEVOBNAAFGU-AWEZNQCLSA-N 244.634 1.615 50 1 BDGF COOC(=O)c1cc2ccc(O)c(O)c2cn1 43439746 HNFYEPTULOWGRM-UHFFFAOYSA-N 235.195 1.364 50 1 BDGF CN1C=CN(CCOCCCl)/C1=C/N=O 209140057 SDUYPJXYSSAMQT-CMDGGOBGSA-N 231.683 1.526 50 1 BDGF CC1=C(C=O)NC(=C2C=CC=CC2=O)S1 2356510030 LGWCZWAIYSXTLP-UHFFFAOYSA-N 219.265 1.660 50 1 BDGF CC1=C(/C=C/CCC/C=C/CO)C(=O)OC1=O 135657851 YYVDIYHSDASGBV-KQQUZDAGSA-N 236.267 1.661 50 1 BDGF Cc1ccc(/N=N/N(C)C(=O)[C@@H](C)N)cc1 6522432 RVLCFMOLKLZEFA-MAEIDHKBSA-N 220.276 1.799 50 1 BDGF Oc1nc(O)c2cc(CCCCl)cnc2n1 587368403 JPLLPYLJYZRBSR-UHFFFAOYSA-N 239.662 1.607 50 1 BDGF C=CCN(CC=C)[P@](=O)(N1CC1)[N@]1C[C@H]1C 1857743165 LXCIHXPVYQKJAG-XFJVYGCCSA-N 241.275 1.788 50 1 BDGF N=c1cc2nc(CBr)[nH]c2c[nH]1 586972354 NKTORNINYGRVQZ-UHFFFAOYSA-N 227.065 1.265 50 1 BDGF BrC/C=C/c1nc2ncc[nH]c-2n1 586973326 HQJULLLATQSUEV-OWOJBTEDSA-N 239.076 1.713 50 1 BDGF N=c1ncc2cc(NC(=O)CCl)ccc2[nH]1 1857606118 FSBHWWVETNYZKM-UHFFFAOYSA-N 236.662 1.220 50 1 BDGF CN[P@@](=O)([N@]1CC1(C)C)[N@@]1CC1(C)C 1857536060 KOMZEUJNYSDTOF-DABQJJPHSA-N 217.253 1.502 50 1 BDGF CC1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31/C=N/NC(N)=O 238780547 BBCLOQRCLGIEKN-PJKHDITBSA-N 207.277 1.323 50 1 BDGF Nc1ncnc2[nH]c([C@@H](Cl)CCl)nc12 587008265 MVHNHEJSDDFZTN-VKHMYHEASA-N 232.074 1.454 50 1 BDGF O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 58528803 UJWRFHVPSREDON-IWDIQUIJSA-N 228.288 1.706 50 1 BDGF CC#CC#CC#C/C=C1/OC[C@@H](Cl)[C@H]2O[C@@H]12 13385865 BMWMYKCPRLRDBC-UKUYSXBHSA-N 232.666 1.305 50 1 BDGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](O)[C@H]2Br 299815779 YFOGAKDZBMEIPI-QOQKJPIQSA-N 247.132 1.746 50 1 BDGF CCO[C@@H]1OC=C(C=O)[C@H]2[C@H](O)C[C@@H](C)[C@H]21 238732138 WQULNIFIWNOOTN-BVNKDQMESA-N 226.272 1.095 50 1 BDGF C/C(=N\NC(=O)c1ccccn1)[C@H](C)N=O 169690029 QUCCULSLRPIPDG-OTIXFSKASA-N 220.232 1.342 50 1 BDGF CCC(=CC=CC1=C(C)C(=O)OC1=O)C(=O)O 2356602525 CEZITUXGGUVZCK-UHFFFAOYSA-N 236.223 1.364 50 1 BDGF COc1ccc(C(=O)OC/C=C(\C#N)CO)cc1 40709653 PPHMNNJYVXHULT-UXBLZVDNSA-N 247.250 1.294 50 1 BDGF Cc1nccc2[nH]c([C@H](N)CCl)nc12 587010472 KMFHIPBYJQGDOM-ZCFIWIBFSA-N 210.668 1.505 50 1 BDGF CCSC(=S)NNC(=O)c1cccnc1 169336928 RYTSETQEWLCYAJ-UHFFFAOYSA-N 241.341 1.354 50 1 BDGF C[N+](C)(CBr)CCCC(=O)O 169309001 BDBNSQLKEOUWBV-UHFFFAOYSA-O 225.106 1.280 50 1 BDGF Cc1nc(C(=O)NN)cc2c1[nH]c1ccccc12 6556509 VTDHPZYRPPRVMX-UHFFFAOYSA-N 240.266 1.628 50 1 BDGF C/C(CC1[C@@H]2CCC[C@@H]1C2)=N\NC(N)=O 102921653 XFCNUFWXKHTDGW-CNPDAFSZSA-N 209.293 1.857 50 1 BDGF N[C@H](CCl)c1nc2c(F)cnc(Cl)c2[nH]1 587011305 QXEFXFGOODMVQK-SCSAIBSYSA-N 249.076 1.989 50 1 BDGF CN(C)P(=O)([N@@]1CC1(C)C)[N@@]1CC1(C)C 1857536059 UPFIZZQXSROILW-STQMWFEESA-N 231.280 1.845 50 1 BDGF CC(=O)OC(=O)CCCCCCCO 238735404 QNCYQSIQAGTLJX-UHFFFAOYSA-N 202.250 1.409 50 1 BDGF C/C(=C\CO)C(=O)/C=C/C(C)(C)OO 219491573 XJJPOJYHJBZLMP-HLQBBKRNSA-N 200.234 1.319 50 1 BDGF COC(=O)[C@H]1C[C@H]2C[C@@H](N=C=S)[C@@H]1C2 29466659 PBCHZYKOSIKXPT-UYXSQOIJSA-N 211.286 1.677 50 1 BDGF C[C@H](Br)c1nc2c(N)ncnc2[nH]1 587008247 KQAIARMHPAYCEP-VKHMYHEASA-N 242.080 1.391 50 1 BDGF Oc1nc(O)c2ccc(CCCl)nc2n1 587368884 QZNIEDDWEUVEMD-UHFFFAOYSA-N 225.635 1.217 50 1 BDGF C=C(C=O)[C@@H]1Cc2cc(O)c(C(C)=O)cc2O1 14883239 XTLZYQWMGSURNJ-LBPRGKRZSA-N 232.235 1.653 50 1 BDGF biogenic CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(N)=O)C2 17254722 QCEFOIDJHJPYIB-OHLIMIBESA-N 209.293 1.857 50 1 BDGF N[C@H](CCl)c1nc2c(Cl)ncnc2[nH]1 587010326 IVDXSNPXVUNDNC-GSVOUGTGSA-N 232.074 1.245 50 1 BDGF CC1(C)[C@@H]2CC[C@]1(C)C/C2=N/NC(N)=O 102124979 YMPPVYVPKPLDFH-ASMWMIGASA-N 209.293 1.857 50 1 BDGF CS/C(=N\N(C)C(N)=O)c1ccccc1 1024069 FTVDFMXVVHFZAH-XFXZXTDPSA-N 223.301 1.722 50 3 BDGF N=c1[nH]cc2nc([C@@H](Cl)CCl)nc-2[nH]1 587008921 RYJIWZBRMDNTJO-VKHMYHEASA-N 232.074 1.236 50 1 BDGF O=C(O)C[C@H](NC(=O)CCl)c1ccco1 36421318 MFHGGSGGQIAIQP-LURJTMIESA-N 231.635 1.150 50 1 BDGF O=CC1=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2O1 2356725603 QPMUFVUFCULNPS-GXFFZTMASA-N 228.203 1.163 50 1 BDGF CC1(C)[C@H]2CC[C@@]1(C)C/C2=N/NC(N)=O 102588739 YMPPVYVPKPLDFH-QRXJGSHGSA-N 209.293 1.857 50 1 BDGF CC1(C)Oc2ccc(C=CC=O)cc2C[C@H]1O 2356460507 XYAOFSKUVJLWLJ-CYBMUJFWSA-N 232.279 1.973 50 1 BDGF COc1ccc2nc([C@H](N)CCl)[nH]c2c1 587011848 UMLQCXOONYOFFK-SSDOTTSWSA-N 225.679 1.810 50 1 BDGF CC1(C)C(=O)C=C[C@]2(C)OO[C@@H](CCO)C[C@H]12 2356646866 RTYVIKVTXQPRGP-CWSCBRNRSA-N 240.299 1.629 50 1 BDGF O=NN(CCCl)C(=O)N[C@H]1CC[C@@H](O)CC1 101106105 BTNKSMIZKSHDNT-ZKCHVHJHSA-N 249.698 1.222 50 1 BDGF O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@]1(O)OO2 253634698 UJWRFHVPSREDON-WYUUTHIRSA-N 228.288 1.706 50 1 BDGF CCO/C(O)=C(\[N+]#N)C(=O)CSC#N 6385438 IYRXPRWWLVFITN-UHFFFAOYSA-O 214.226 1.386 50 1 BDGF CS(=O)(=O)[C@@H]1C[C@H]2C[C@H]1[C@H](N=C=S)C2 103023135 WVSWWSJVHYAETB-RBXMUDONSA-N 231.342 1.301 50 1 BDGF O=[S@@]1SC(=S)[C@@H]2C=CC=C[C@@H]21 31904881 WRTNFGRDPACJHT-WWILAJSPSA-N 202.325 1.835 50 1 BDGF C[C@@H]1C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC=C1C=O 2356367292 AACLWACKHXOGDA-HZQMYPQZSA-N 208.257 1.719 50 1 BDGF Cc1ccc(C)n1-c1ccc(CC(=O)NN)cc1 27889334 NSWUJUGGXZWIPH-UHFFFAOYSA-N 243.310 1.627 50 1 BDGF NC(=O)NN=C(C=C1CCC1)C(F)(F)F 2356861084 UFDOMCKDSGQWPE-UHFFFAOYSA-N 221.182 1.683 50 1 BDGF C=C(C)[C@@H]1OO[C@H](CO)[C@H]1C(C)(C)OC(C)=O 238773083 LFWRRUVXZZPXFE-MXWKQRLJSA-N 244.287 1.212 50 1 BDGF O=CC=CC=CC(=O)NCCc1ccccc1 2356390756 CHTYYNQOODAUGQ-UHFFFAOYSA-N 229.279 1.657 50 1 BDGF CCCCNNC(=O)c1ccc(F)cc1 147160501 YRLLWXIGAGZKFP-UHFFFAOYSA-N 210.252 1.860 50 1 BDGF N#CC(C#N)=C(C#N)c1cc(O)c(O)c(O)c1 49878544 GRMWJYLSFHIYNJ-UHFFFAOYSA-N 227.179 1.128 50 1 BDGF CC(C)NC(=O)CCC1C2(C)OOC1(C)OO2 95556289 NGPYCSLTFJZSAE-UHFFFAOYSA-N 245.275 1.263 50 1 BDGF CC1=C(CCCl)C(=O)N2CCCC(=O)[C@@H]2N1 957584896 AEVCBCNJKKBFDP-SNVBAGLBSA-N 242.706 1.010 50 1 BDGF CC1(C)OO[C@]23CCCC[C@@H]2CC(=O)O[C@@H]3O1 43381924 MVGLOTFWOPQIQO-HLUHBDAQSA-N 242.271 1.903 50 1 BDGF O=C1OC(=O)c2c1ccc1c2C(=O)CCC1 49888901 HARGJQXLVFCJCF-UHFFFAOYSA-N 216.192 1.516 50 1 BDGF O=C(/N=N/C(=O)NCCCl)NCCCl 28948514 LYJUETGVLWDECH-VAWYXSNFSA-N 241.078 1.335 50 1 BDGF C=C[C@@](C)(COC(=O)C(C)=CC)OO 2356644374 DFLZEWKMJGFTBE-JTQLQIEISA-N 200.234 1.930 50 1 BDGF BrCc1nc2ncncc2[nH]1 79185329 GIQNADZDPPPPGC-UHFFFAOYSA-N 213.038 1.248 50 1 BDGF CN(C)/N=N/c1ccc(CCCC(=O)NN)cc1 17354517 HXTQLVZAZYXUDZ-FOCLMDBBSA-N 249.318 1.560 50 1 BDGF C=CCN1C(N)=C(C#N)C(C#N)(C#N)[C@H]1CCC 1647947 BRUQQCCAAZKMSO-LLVKDONJSA-N 241.298 1.384 50 1 BDGF C[C@H](Br)c1nc2cnnc(O)c2[nH]1 587008182 JBFUAEVFPBADIP-VKHMYHEASA-N 243.064 1.514 50 1 BDGF NC(=O)N/N=C1/C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 169356185 VFNYTWHRVSBLAG-HKMQFKPPSA-N 205.261 1.243 50 1 BDGF CC(/C=C/c1ccccc1)=N\OCC(=O)NN 49785819 FQWSKCBTOQFBDH-ARADJAMMSA-N 233.271 1.082 50 1 BDGF C[C@@]12CC[C@@]3(C[C@@H]4CO4)[C@](C)(OO[C@@]3(C)O1)O2 254092486 JDXUMISUWIYYKD-JCIQBVFBSA-N 242.271 1.713 50 1 BDGF CN(C)C=NC(=O)/C(C#N)=C/c1ccccc1 263591985 YUZSKQGHJIYDRW-DGWQKQSUSA-N 227.267 1.710 50 3 BDGF CC[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 587955967 MTJHATHSCSFKQD-ZETCQYMHSA-N 232.287 1.680 50 1 BDGF CSCSCS(=O)(=O)SC 14590124 QBQGPZFZTUTTCS-UHFFFAOYSA-N 218.390 1.690 50 1 BDGF COC(=O)N/N=C/c1coc2ccccc2c1=O 103222261 LGSPFYMTKYJRPR-AWNIVKPZSA-N 246.222 1.483 50 1 BDGF N[C@H](CCl)c1nc2cccc(O)c2[nH]1 587012319 XEPZQLVYNUCCNC-RXMQYKEDSA-N 211.652 1.507 50 1 BDGF O=[S@]1SC(=S)[C@H]2C=CC=N[C@H]21 195775704 XLDAYWQKBYTOEC-ANYMCVJYSA-N 203.313 1.307 50 1 BDGF N#CC(C#N)=C(C#N)c1cc(O)cc(O)c1 44358261 GQUWDIOBISABKQ-UHFFFAOYSA-N 211.180 1.422 50 1 BDGF Cc1ccc2nc([C@H](N)CCl)[nH]c2n1 587009923 DEQKKBPPJIYSPR-ZCFIWIBFSA-N 210.668 1.505 50 1 BDGF CS(=O)(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29477823 LRVKVRBCZASITK-LURQLKTLSA-N 231.342 1.301 50 1 BDGF C[C@@]1([C@H](Cl)C(=O)O)C=C(Cl)C(=O)O1 85602197 OWFNQSUVNYAOKE-FBCQKBJTSA-N 225.027 1.117 50 1 BDGF in-vitro N[C@H](CCl)c1nc2ccc(CCO)cc2[nH]1 587011981 VQTGUAWRNSLOSR-MRVPVSSYSA-N 239.706 1.336 50 1 BDGF O=C(N/N=C/C(F)(F)F)c1ccncc1 17255946 RTZXLZYMFHIQAA-WLRTZDKTSA-N 217.150 1.360 50 1 BDGF CC1=C/C(=N/NC(=O)c2ccccc2)C=CC1=O 97539800 QQEGCRVWJKYBLK-NTCAYCPXSA-N 240.262 1.858 50 3 BDGF COc1ccc2nc(CBr)[nH]c2n1 586972353 NJLHJBQCQYNKPL-UHFFFAOYSA-N 242.076 1.861 50 1 BDGF O=[S@]1SC(=S)[C@@H]2C=CC=N[C@H]21 4614314 XLDAYWQKBYTOEC-QWMRMABFSA-N 203.313 1.307 50 1 BDGF O=C(NCCCl)O/N=C/c1cccnc1 1616608 FMRLUGRMQZSVBA-NTUHNPAUSA-N 227.651 1.381 50 1 BDGF Cc1cc2c(O)nc(O)nc2nc1CCCl 587368282 FWEDLXHSBZXJBR-UHFFFAOYSA-N 239.662 1.526 50 1 BDGF CC(=O)c1cc([C@H]2OC[C@@H](O)[C@@H]2Cl)oc1C 28895610 HVYMLCLOZJHTBX-DVVUODLYSA-N 244.674 1.830 50 1 BDGF BrCc1nc2ncc[nH]c-2n1 586972350 NFGDSTOKFFANGO-UHFFFAOYSA-N 213.038 1.199 50 1 BDGF CCOC(=O)/C(C#N)=C/c1cccc(C(N)=O)c1 13807921 QNKQPNUIHKCGNO-YRNVUSSQSA-N 244.250 1.256 50 1 BDGF N#Cc1ccc2nc([C@H](N)CCl)[nH]c2c1 587009712 BUGOEPPLLZPTQV-SSDOTTSWSA-N 220.663 1.673 50 1 BDGF C[C@]1([C@@H](Cl)C(=O)O)C=C(Cl)C(=O)O1 85602201 OWFNQSUVNYAOKE-MHTLYPKNSA-N 225.027 1.117 50 1 BDGF in-vitro CC(=O)c1ccc(O)c(C/C=C(\C)C=O)c1O 220056358 WJJWTOLGRVKJLV-FPYGCLRLSA-N 234.251 1.988 50 1 BDGF ClC/C=C/C[N+]12CN3CN(CP(C3)C1)C2 1857618325 LVGCNBAQQPCYJH-OWOJBTEDSA-N 246.702 1.470 50 1 BDGF CC=C(C=O)[C@@H]1CC(=O)OC=C1OC(C)=O 2356743800 DIQUDZWYJYGQGV-VIFPVBQESA-N 224.212 1.099 50 1 BDGF COc1ccc(COC/C=C(\C#N)CO)cc1 40480131 NECYKXJQHLLODK-WUXMJOGZSA-N 233.267 1.654 50 1 BDGF CC1(C)[C@H](Br)C[C@@H]2OCC=C2[C@H]1O 238776790 FDFKMTXRKNETHS-DJLDLDEBSA-N 247.132 1.866 50 1 BDGF C=C1[C@H](C)C[C@H](O)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@H]12 2356335467 AKSBEXNBIJAHCH-FCHWROMDSA-N 248.322 1.910 50 1 BDGF N#Cc1ccc(NC(=O)C(Cl)Cl)nc1 44404253 MDNZERXAMYJTGA-UHFFFAOYSA-N 230.054 1.695 50 1 BDGF C=CCN1C(N)=C(C#N)C(C#N)(C#N)[C@@H]1CCC 5785646 BRUQQCCAAZKMSO-NSHDSACASA-N 241.298 1.384 50 1 BDGF CCCSC[C@H](NC(C)=O)C(=O)CCl 27629540 DOXUPXWATMUHPG-QMMMGPOBSA-N 237.752 1.442 50 1 BDGF C=C(C=O)[C@@H]1[C@@H]2[C@H](CC=C(C=O)[C@@H]1C=O)C2(C)C 238765759 SCQAWIJMLAWHOZ-XUXIUFHCSA-N 246.306 1.974 50 1 BDGF CC[C@@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 587955966 MTJHATHSCSFKQD-SSDOTTSWSA-N 232.287 1.680 50 1 BDGF N#CC(C#N)=Cc1ccc(CP(=O)(O)O)cc1 1622586 TVEFWXAFACDBBO-UHFFFAOYSA-N 248.178 1.795 50 1 BDGF O=[N+]([O-])c1ccc2c(c1)CN[C@@H](CCl)C2 13801458 PPUIGVZNCXQYJZ-SECBINFHSA-N 226.663 1.848 50 1 BDGF CC1(C)CN1P(N)(=O)N1CC1(C)C 44323676 OAMDGGMRNBFOTB-UHFFFAOYSA-N 203.226 1.242 50 1 BDGF CC1(C)OC(=O)C(C#N)=C1C[n+]1ccccc1 1630844 AWVUCVGSGXMWFB-UHFFFAOYSA-N 229.259 1.130 50 1 BDGF C[C@@H]1C(=O)O[C@@H]2CC[C@H](CBr)[C@]12O 1857743753 KLHMGTABWZPZQC-JXOAFFINSA-N 249.104 1.084 50 1 BDGF CN1C=CN(CCBr)/C1=C\N=O 148141927 JGMNQQVIALPLIN-SREVYHEPSA-N 232.081 1.665 50 1 BDGF N[C@H](CCl)c1nc2cccc([N+](=O)[O-])c2[nH]1 587010106 GIVNWHZQVWBTSG-RXMQYKEDSA-N 240.650 1.710 50 1 BDGF CN1C=CN(CCBr)/C1=C/N=O 209140527 JGMNQQVIALPLIN-VOTSOKGWSA-N 232.081 1.665 50 1 BDGF CC(C)(O)[C@@H]1Cc2cc(/C=C/C=O)ccc2O1 198502274 LEFHHOBVSOTJCX-OOPCZODUSA-N 232.279 1.973 50 1 BDGF CC(=O)NC(=O)/C(C#N)=C/Nc1ccccc1C 5137726 QBTBCZFJSVTHDN-DHZHZOJOSA-N 243.266 1.477 50 1 BDGF O=[S@](CCO)SCc1ccccc1 13376400 JHSIPSLAQVGISO-CYBMUJFWSA-N 216.327 1.576 50 1 BDGF C=C1C(=O)O[C@H]2C[C@H](C)C(C=O)=CC[C@H]12 473086395 BUGXCAHSFQQFOX-XROYCOCOSA-N 206.241 1.639 50 1 BDGF C=C(COC(=O)C(C)=CC)[C@@H](C)OO 2356687028 AMMCEABUWWJLGZ-SECBINFHSA-N 200.234 1.930 50 1 BDGF N[C@H](CCl)c1nc2nc(Cl)c[nH]c-2n1 587009589 ACAPAFCNMZZOQB-GSVOUGTGSA-N 232.074 1.197 50 1 BDGF Nc1ccc(C(=O)N/N=C/c2ccccn2)cc1 7943096 XSICXHHIZPFXFN-CXUHLZMHSA-N 240.266 1.428 50 1 BDGF Cn1/c(=N/C(=O)CCl)sc2ccccc21 13143479 OSJWKPHEUAQQKR-BENRWUELSA-N 240.715 1.906 50 1 BDGF C[C@@]12C[C@H]3CCC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 101764342 KCPIDVIWISPVSC-RULNCXCMSA-N 240.255 1.513 50 1 BDGF O=C(N/N=C\c1ccoc1)c1cc(O)cc(O)c1 60311306 JLQRYFLMVCLQEL-MLPAPPSSSA-N 246.222 1.455 50 1 BDGF C=C1[C@H]2CC=C(C=O)[C@](O)(C=O)[C@@H]2[C@@H](C)C[C@H]1C 2356589193 CUUXJJXXBLFSTO-QFWNWRTJSA-N 248.322 1.910 50 1 BDGF CC1=C(C=O)N/C(=C2\C=CC=CC2=O)S1 100307462 LGWCZWAIYSXTLP-FLIBITNWSA-N 219.265 1.660 50 1 BDGF in-vitro CCOC(=O)C(C#N)=C1Oc2ccccc2N1C 2356451206 WFXODXGXURTYNR-UHFFFAOYSA-N 244.250 1.813 50 1 BDGF C/C=C(\C=O)[C@H]1CC(=O)OC=C1OC(C)=O 85504826 DIQUDZWYJYGQGV-QZGLAHODSA-N 224.212 1.099 50 1 BDGF biogenic,in-vitro CC1(C)OO[C@]23CCCC[C@H]2CC(=O)O[C@@H]3O1 43845705 MVGLOTFWOPQIQO-MKPLZMMCSA-N 242.271 1.903 50 1 BDGF C=C(C=O)Oc1ccc(/C=C/C=O)cc1OC 214695614 WBOKDUZHHCSUBJ-ONEGZZNKSA-N 232.235 1.999 50 1 BDGF C[C@H](Br)c1nc2c(O)ncnc2[nH]1 587009037 STWDLQPDKIFNMW-VKHMYHEASA-N 243.064 1.514 50 1 BDGF Cc1nnnn1C/C(C#N)=C/c1ccc(F)cc1 169321247 IXHUAWQZXGCSBQ-IZZDOVSWSA-N 243.245 1.728 50 1 BDGF CS(=O)(=O)[C@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 101235614 LRVKVRBCZASITK-KZVJFYERSA-N 231.342 1.301 50 1 BDGF COC(=O)/C=C/CI 137713246 CQXZCMOTWVQDLY-NSCUHMNNSA-N 226.013 1.151 50 1 BDGF ClC[C@@H](Cl)c1nc2ncc[nH]c-2n1 587007510 DQANIUJYZDICMJ-SCSAIBSYSA-N 217.059 1.823 50 1 BDGF COC(=O)C[C@H]1CC[C@@](C)(OC)OO1 43427093 WSVFJQOPDCNUAU-APPZFPTMSA-N 204.222 1.023 50 1 BDGF C=C(CCCO)[C@@H]1COC(C)(C)OO1 43100730 DMGNTKTTWVSKMH-VIFPVBQESA-N 202.250 1.398 50 1 BDGF O=[S@@]1SC(=S)[C@@H]2C=CC=N[C@@H]21 31904883 XLDAYWQKBYTOEC-NWWTUURKSA-N 203.313 1.307 50 1 BDGF C/C(=N\NC(=O)CC#N)c1nc2ccccc2[nH]1 169353768 XAVKDFKONPFVHX-LZYBPNLTSA-N 241.254 1.317 50 1 BDGF C=C(C=O)[C@@H]1Cc2c(ccc(C(C)=O)c2O)O1 238733403 XXLABZQBOVMNJO-LBPRGKRZSA-N 232.235 1.653 50 1 BDGF O[C@H]1CSSC[C@@H](O)CSSC1 238781323 PDDAWBKYAQATSA-IZLXSQMJSA-N 244.428 1.485 50 1 BDGF COc1nccc2nc(CBr)[nH]c12 586972156 ISEWGVJSDSXENR-UHFFFAOYSA-N 242.076 1.861 50 1 BDGF Oc1nc(O)c2cc3c(nc2n1)[C@H](Cl)CC3 587369109 VCMRIEIMOSXXKF-ZCFIWIBFSA-N 237.646 1.662 50 1 BDGF CCc1cc2c(O)nc(O)nc2nc1CCl 587365139 AYVNEDOPEHGCTC-UHFFFAOYSA-N 239.662 1.737 50 1 BDGF ClC[C@@H](Cl)c1nc2cncnc2[nH]1 587008847 QZBDDMOFXXLSOI-SCSAIBSYSA-N 217.059 1.872 50 1 BDGF O=C1[C@@H](Br)[C@H]2CC[C@H]1[C@@H]2C(=O)O 263591127 DAWDCUWVWJLJCU-AZGQCCRYSA-N 233.061 1.060 50 3 BDGF C[C@H]1OC(=O)c2c(O)cc(O)c(O)c2[C@H]1Cl 13385866 FXVNXBBYKCQDIS-NHBGOVDGSA-N 244.630 1.642 50 1 BDGF CN(C)CC[S@](=O)CCCCN=C=S 1857587723 CFGFOFHKLPRZTM-CQSZACIVSA-N 234.390 1.180 50 1 BDGF N=c1[nH]ccc2nc(CBr)[nH]c12 586972484 UAXVAONZULTDSF-UHFFFAOYSA-N 227.065 1.265 50 1 BDGF O=NN(CCF)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 17377787 LESTWYVGWLZSMR-DJLDLDEBSA-N 229.255 1.838 50 1 BDGF CCC[C@H](NC(C)=O)C(=O)OCCCl 169334368 QCAGSSHPIIKSQU-QMMMGPOBSA-N 221.684 1.073 50 1 BDGF C=C(C=O)Oc1ccc(C=CC=O)cc1OC 2356480913 WBOKDUZHHCSUBJ-UHFFFAOYSA-N 232.235 1.999 50 1 BDGF CC1(C)OO[C@]23CCCC[C@@H]2CC(=O)O[C@H]3O1 43381925 MVGLOTFWOPQIQO-UBHAPETDSA-N 242.271 1.903 50 1 BDGF Cc1occc1C(=O)NN/C=C1/C=CC=N1 15885245 NXYCYJSTKMJPIG-CLFYSBASSA-N 217.228 1.304 50 3 BDGF CC(=O)O[C@H]1C[C@H]2C[C@@H](Cl)C[C@@H]1N2C 169350803 RFOPZQIWRBGGQZ-IMSYWVGJSA-N 217.696 1.392 50 1 BDGF CCO[C@@H]1OC=C(C=O)[C@@H]2[C@H](O)C[C@@H](C)[C@@H]12 2356600029 WQULNIFIWNOOTN-YNVCDSSISA-N 226.272 1.095 50 1 BDGF C=CCN(CC=C)[P@](=O)(N1CC1)[N@]1C[C@@H]1C 1857743162 LXCIHXPVYQKJAG-PEYYIBSZSA-N 241.275 1.788 50 1 BDGF C[C@@H]1NC(=O)[C@H](C#N)[C@@H](C)[C@@H]1Br 618012023 YZTSPFGLNNAOEU-UCROKIRRSA-N 231.093 1.044 50 1 BDGF N=C(N)c1ccc2nc([C@H](N)CCl)[nH]c2c1 587010291 IFKMUQVPLCQIQU-ZCFIWIBFSA-N 237.694 1.086 50 1 BDGF CC#CC#CC#CC=C1OC[C@H](Cl)[C@H]2O[C@@H]12 2356496010 BMWMYKCPRLRDBC-UHTWSYAYSA-N 232.666 1.305 50 1 BDGF C[C@@]1([C@@H](Cl)C(=O)O)C=C(Cl)C(=O)O1 85602204 OWFNQSUVNYAOKE-FFWSUHOLSA-N 225.027 1.117 50 1 BDGF in-vitro CC1(C)[C@H]2CC[C@@]1(C)C/C2=N\NC(N)=O 135595769 YMPPVYVPKPLDFH-FBMYWWAJSA-N 209.293 1.857 50 1 BDGF O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@H]3C=C[C@H]3[C@@H]12 254079901 UOHVXCZAZIYNAK-MCARRRAFSA-N 228.247 1.166 50 1 BDGF COc1cc(C=CC=O)c2c(c1OC)OCO2 2356448121 PUJRAIAIDSMJAV-UHFFFAOYSA-N 236.223 1.645 50 1 BDGF O=C1C=CC=C/C1=C\NNC(=O)C1CCCC1 15933619 XSBPFVMENFTENX-PKNBQFBNSA-N 232.283 1.376 50 3 BDGF C[C@@H](Nc1ccc2ccccc2c1)C(=O)NN 5929841 VZGYCWCBDPDMNT-SECBINFHSA-N 229.283 1.630 50 1 BDGF COc1ccc(O)n1-c1ccnc(CCl)n1 587939155 CEBZTYKGJXEOBY-UHFFFAOYSA-N 239.662 1.720 50 1 BDGF O[C@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 43100940 UJWRFHVPSREDON-FIQHERPVSA-N 228.288 1.706 50 1 BDGF Cc1ncc([N+](=O)[O-])n1CCCBr 221960105 DNVDOVBGOIYYHT-UHFFFAOYSA-N 248.080 1.885 50 1 BDGF COC(=O)[C@@H]1C[C@@H]2C[C@@H]1C[C@@H]2N=C=S 100803306 DCALCCIPFVJFMU-XAVMHZPKSA-N 211.286 1.677 50 1 BDGF C=C1C[C@](C)(CBr)OC1=O 1911582196 MVDCVFTVIPDPGU-SSDOTTSWSA-N 205.051 1.643 50 1 BDGF C=C1C(C)=C(C#N)C(=O)N1c1nccs1 64510736 VPLGMAPNZJSREA-UHFFFAOYSA-N 217.253 1.843 50 1 BDGF O=[S@]1SC(=S)[C@@H]2C=CC=N[C@@H]21 5835566 XLDAYWQKBYTOEC-RDSNPXOSSA-N 203.313 1.307 50 1 BDGF CS(=O)(=O)[C@H]1CCC[C@@H](CN=C=S)C1 29468335 QZRFYFSUCVLHML-BDAKNGLRSA-N 233.358 1.693 50 1 BDGF O=NN(CCCl)C(=O)N[C@H]1CCCC[C@@H]1O 5133927 STQSMIAHSQBRBH-YUMQZZPRSA-N 249.698 1.222 50 1 BDGF CC#CC#CC#CC#CC=C[C@@H](Cl)CO 2356443745 XENVCRGQTABGKY-CYBMUJFWSA-N 216.667 1.176 50 1 BDGF C/C(=N/NC(=O)c1ccncc1)C(F)(F)F 5831007 KKECQLSDZHKDEC-NSIKDUERSA-N 231.177 1.750 50 1 BDGF C[C@H]1OO[C@@H](COCc2ccccc2)[C@H]2O[C@H]21 43562031 SXWNQGFEAPKNCG-LPTSXCQYSA-N 236.267 1.690 50 1 BDGF C=CCN(CC=C)[P@](=O)(N1CC1)[N@@]1C[C@H]1C 1857743164 LXCIHXPVYQKJAG-WPGHFRTFSA-N 241.275 1.788 50 1 BDGF O=c1[nH]nc(Cc2ccccc2)n1CCCl 1650274 OETCLSACWWAXQJ-UHFFFAOYSA-N 237.690 1.401 50 1 BDGF CC1=C(C#N)S(=O)(=O)c2c(oc(C)c2C)N1 5851124 STXODLBQAYGFCT-UHFFFAOYSA-N 238.268 1.851 50 1 BDGF CCSC1=C(C#N)C(=O)NCS1 6720994 JXFCSOZJBAYMMC-UHFFFAOYSA-N 200.288 1.295 50 1 BDGF CC[C@H](C)[C@H](N)C(=O)OC(=O)c1ccccc1 49766664 JWDWVMDKRKVGMK-ONGXEEELSA-N 235.283 1.743 50 1 BDGF CC1=C(C[C@@H]2C(C=O)=C(C)[C@H]3C[C@H]32)C(=O)OC1=O 2356493724 DVJSCKNYRQCCDY-IEBDPFPHSA-N 246.262 1.558 50 1 BDGF O=NN(CCCl)C(=O)Oc1cccnc1 29250400 VLNZLFWCMSRDQI-UHFFFAOYSA-N 229.623 1.803 50 1 BDGF COc1cc([C@@H](O)[C@@H](O)CCl)ccc1O 15112859 YGHRQWKTVXMGDU-WCBMZHEXSA-N 232.663 1.034 50 1 BDGF endogenous,in-man CS(=O)(=O)[C@@H]1CCC[C@@H](CN=C=S)C1 29468332 QZRFYFSUCVLHML-RKDXNWHRSA-N 233.358 1.693 50 1 BDGF CC1=C(C=CCCCC[C@@H](C)O)C(=O)OC1=O 2356722209 AEYAUJJXGSCJRE-SECBINFHSA-N 238.283 1.884 50 1 BDGF C[C@]1([C@H](Cl)C(=O)O)C=C(Cl)C(=O)O1 85602192 OWFNQSUVNYAOKE-CLZZGJSISA-N 225.027 1.117 50 1 BDGF in-vitro O=C/C(Br)=C/Nc1nccs1 75772033 MKDHORDUBBSFSJ-HYXAFXHYSA-N 233.090 1.990 50 1 BDGF CCC(=O)N/N=C/c1coc2ccccc2c1=O 40380568 KHNJKCCCPKYZQG-VGOFMYFVSA-N 244.250 1.653 50 1 BDGF COc1ccc(CCCNNC(C)=O)cc1 169700522 DQQGPOHSKKWYAS-UHFFFAOYSA-N 222.288 1.269 50 1 BDGF NNC(=O)c1ccc2nc(CC3CC3)[nH]c2c1 587958697 GHJMVFDAASYNAU-UHFFFAOYSA-N 230.271 1.119 50 1 BDGF COC(=O)C[C@@H]1CC[C@](C)(OC)OO1 43427096 WSVFJQOPDCNUAU-IONNQARKSA-N 204.222 1.023 50 1 BDGF CCOC(=O)CCC1C2(C)OOC1(C)OO2 95556273 HNMJWYDYRJWVNL-UHFFFAOYSA-N 232.232 1.302 50 1 BDGF O=C1OC(=O)[C@@H]2CCC[C@H]3CCC[C@H]1[C@H]32 263610446 WDIMUBDLUKCUID-YNFQOJQRSA-N 208.257 1.902 50 1 BDGF Clc1ncnc2[nH]c(CBr)nc12 586972079 FRYBKELIWOTVNS-UHFFFAOYSA-N 247.483 1.901 50 1 BDGF CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](C)C2=CO1 238784728 KQQNJGOEIIVEGU-ISVAXAHUSA-N 234.251 1.270 50 1 BDGF N[C@H](CCl)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587010939 OTXQDSLIFOLHMZ-ZCFIWIBFSA-N 240.650 1.710 50 1 BDGF ClC[C@H](Cl)c1nc2cnncc2[nH]1 587007550 FPGOCNICDXAREB-BYPYZUCNSA-N 217.059 1.872 50 1 BDGF CCOc1ccc(Cl)cc1/C=N\NC(N)=O 33328242 HQKDSIAPCKVYAY-MLPAPPSSSA-N 241.678 1.741 50 1 BDGF CN(C)/N=N/c1ccc(SC#N)cc1C(N)=O 18129670 NHNOHMXASFHJKU-BUHFOSPRSA-N 249.299 1.919 50 1 BDGF O[C@]12CCCC[C@H]1[C@H]1CCCC[C@]1(O)OO2 43100951 UJWRFHVPSREDON-USZNOCQGSA-N 228.288 1.706 50 1 BDGF C/C(=N\NC(=O)c1ccccn1)[C@@H](C)N=O 169690028 QUCCULSLRPIPDG-LQGZHCLWSA-N 220.232 1.342 50 1 BDGF O=C(NN/C=C/c1ccccc1)c1ccncc1 49070243 BHLKTDIOVXSGAJ-IZZDOVSWSA-N 239.278 1.987 50 1 BDGF C=C(C#N)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 34559916 XABDAJJGMJYKJL-GFCCVEGCSA-N 249.266 1.826 50 1 BDGF NNC(=O)c1c[nH]cc1-c1ccc(Cl)cc1 6536296 GWFLWTMGVLOJGH-UHFFFAOYSA-N 235.674 1.939 50 1 BDGF N#C/C(=C\COC(=O)/C=C/c1ccccc1)CO 38869124 WQECFCRZIPRPAP-GTTXMNNRSA-N 243.262 1.685 50 1 BDGF CC(=N)/C(C#N)=C(\O)CN1CCCCC1 103108924 JXPZVTCBGOPDRJ-QYUYPVFOSA-N 207.277 1.848 50 1 BDGF N#CCCn1cnc2c1N=CN[C@H]2Cl 8689866 JQNJMUGLMLDCHK-SSDOTTSWSA-N 209.640 1.297 50 1 BDGF O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@H]1O 5133990 STQSMIAHSQBRBH-HTQZYQBOSA-N 249.698 1.222 50 1 BDGF C#CC#Cc1ccc(C#C[C@@H](O)CCl)s1 13380212 VDWVTFUECRWWOG-SNVBAGLBSA-N 234.707 1.684 50 1 BDGF COC(=O)[C@@H]1C[C@@H]2C[C@@H]1[C@H](N=C=S)C2 100801105 PBCHZYKOSIKXPT-RBXMUDONSA-N 211.286 1.677 50 1 BDGF CC(C)(O)[C@H]1Cc2cc(C=O)cc(OO)c2O1 2356417096 QFAOAHBSGCCQFF-SNVBAGLBSA-N 238.239 1.425 50 1 BDGF CC=CC#CC#CC#CC=C[C@@H](O)CCl 2356386970 BWFFGWCCMCLGBQ-CYBMUJFWSA-N 218.683 1.729 50 1 BDGF CS(=O)(=O)[C@H]1CC[C@@H](N=C=S)CC1 299845585 JQPFVCOVRBMXMC-OCAPTIKFSA-N 219.331 1.445 50 1 BDGF N[C@H](CCl)c1nc2ccc(C(=O)O)cc2[nH]1 587009859 CDSNSVZCCRNOLK-ZCFIWIBFSA-N 239.662 1.500 50 1 BDGF N=c1[nH]cc2nc([C@H](Cl)CCl)nc-2[nH]1 587008920 RYJIWZBRMDNTJO-GSVOUGTGSA-N 232.074 1.236 50 1 BDGF O=C(N/N=C/c1cccc(O)c1O)c1ccco1 8043599 PGIUFGOISZUTRP-NTUHNPAUSA-N 246.222 1.455 50 1 BDGF CC(C)CNC(=O)CC(=O)NN=C1CCCC1 8382550 ZFNMJWSECCSOTM-UHFFFAOYSA-N 239.319 1.195 50 3 BDGF C[C@H](Br)c1nc2c(N)ccnc2[nH]1 587008767 OATBZTVRFARNLR-BYPYZUCNSA-N 241.092 1.996 50 1 BDGF CSCSSCS(C)(=O)=O 13378338 MUMQLHSHEBNFIU-UHFFFAOYSA-N 218.390 1.690 50 1 BDGF CC(C=Cc1ccccc1)=NNC(N)=O 2356732530 XEAXZEMHSLDEEG-UHFFFAOYSA-N 203.245 1.744 50 1 BDGF CC(=O)O[C@@H]1CC2=C(C)COO[C@]2(O)C[C@@H]1C 139226313 IYHRAFODMIWLRL-UPZJHPNMSA-N 242.271 1.315 50 1 BDGF CC1(C)C(=O)C=C[C@]2(C)OO[C@H](CCO)C[C@H]12 2356646865 RTYVIKVTXQPRGP-BREBYQMCSA-N 240.299 1.629 50 1 BDGF CN(C)CCC[S@@](=O)CCCCN=C=S 1857563541 ODLUZFWAJYXSRL-HNNXBMFYSA-N 248.417 1.570 50 1 BDGF CCO/C(O)=C(\C#N)C(=N)C(F)(F)F 103545382 VWDKQXRKGPDMQC-DMYYJPRDSA-N 208.139 1.898 50 1 BDGF C=C1[C@@H]2CC=C(C=O)[C@@H](C=O)[C@@]2(C)[C@@H](O)C[C@H]1C 2356335468 AKSBEXNBIJAHCH-KIHUBXBXSA-N 248.322 1.910 50 1 BDGF CC1(C)Oc2ccc(C=CC=O)cc2C[C@@H]1O 2356460508 XYAOFSKUVJLWLJ-ZDUSSCGKSA-N 232.279 1.973 50 1 BDGF C[C@@H]1NC(=O)[C@H](C#N)[C@@H](C)[C@H]1Br 618012064 YZTSPFGLNNAOEU-XZBKPIIZSA-N 231.093 1.044 50 1 BDGF Cc1occc1C(=O)NNCc1ccccc1O 299864976 SIKKRQDPIUOVCW-UHFFFAOYSA-N 246.266 1.728 50 1 BDGF CC(C)Cc1ncc([C@H]2OOC2(C)C)[nH]c1=O 2356800490 RAMSDQYHWMJSAO-SNVBAGLBSA-N 238.287 1.750 50 1 BDGF CCOC(=O)/C(C#N)=C/N=c1\ccc(C)cn1C 100473099 KHZWEPGFJACMBA-XVNCSPBISA-N 245.282 1.205 50 1 BDGF CC(=CCO)C(=O)C=CC(C)(C)OO 2356580738 XJJPOJYHJBZLMP-UHFFFAOYSA-N 200.234 1.319 50 1 BDGF C/C=C(\NNC(C)=O)c1ccc(O)cc1 36380361 KWTZZDJZKMFGRN-JYOAFUTRSA-N 206.245 1.394 50 1 BDGF C/C=C/NNC(=O)Cc1ccc(OC)cc1 36380362 CIBKRCDWASTMLY-FPYGCLRLSA-N 220.272 1.392 50 1 BDGF N#CCCn1cnc2c1N=CN[C@@H]2Cl 8689865 JQNJMUGLMLDCHK-ZETCQYMHSA-N 209.640 1.297 50 1 BDGF COC(=O)[C@@H]1C[C@H]2C[C@@H](N=C=S)[C@@H]1C2 29466656 PBCHZYKOSIKXPT-JQCXWYLXSA-N 211.286 1.677 50 1 BDGF CC#CC#CC#CC#CC=C[C@H](O)CCl 2356421667 QIDRAFKJVDCEGO-ZDUSSCGKSA-N 216.667 1.176 50 1 BDGF C=C1[C@@H](C)C[C@@H](O)[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O 103202087 AKSBEXNBIJAHCH-MKJLKUPLSA-N 248.322 1.910 50 1 BDGF O=C(NO)N/N=C/c1cccc(C(F)(F)F)c1 27423072 QCPNDGQZBXRPGR-WLRTZDKTSA-N 247.176 1.728 50 1 BDGF CC[C@@]1(OC)OOC(C)(C)C[C@@H]1C(=O)OC 73200499 SPFCSNBYGHRFAS-LDYMZIIASA-N 232.276 1.659 50 1 BDGF CC1(C)C(=O)C=C[C@@]2(C)OO[C@H](CCO)C[C@H]12 95486202 RTYVIKVTXQPRGP-GIPNMCIBSA-N 240.299 1.629 50 1 BDGF biogenic,in-vitro O=[P@@]1(N2CC2)OCCCN1CCCl 2029975 ZIXPOIOWMASQOC-CYBMUJFWSA-N 224.628 1.371 50 1 BDGF C/C(=N\NC(=O)c1ccncc1)c1cnccn1 28964320 XGPWCUDPIJMMGE-CXUHLZMHSA-N 241.254 1.026 50 1 BDGF CC1(C)C[N@@]1[P@](N)(=O)[N@@]1CC1(C)C 1857536050 OAMDGGMRNBFOTB-PJXYFTJBSA-N 203.226 1.242 50 1 BDGF COC(=O)[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29476494 DCALCCIPFVJFMU-HXFLIBJXSA-N 211.286 1.677 50 1 BDGF CC1(C)[C@@H]2CC(=O)[C@]1(C)[C@@H](O)[C@@H]2Br 195524519 YFOGAKDZBMEIPI-PJGXCUNHSA-N 247.132 1.746 50 1 BDGF CC(=O)NNc1nncc(-c2ccccc2)n1 1996201 YYWAKCVNYNEBSF-UHFFFAOYSA-N 229.243 1.002 50 1 BDGF C=C1[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]2(C)[C@@H](O)C[C@H]1C 2356335470 AKSBEXNBIJAHCH-UTOMHMCBSA-N 248.322 1.910 50 1 BDGF CC1=C(Cl)C(=O)O[C@H]1[C@@H](Cl)C(=O)O 85601727 SZWLKMNDJDVAHQ-RFZPGFLSSA-N 225.027 1.117 50 1 BDGF in-vitro CC/C=N\N1C(N)=C(C#N)C(C#N)(C#N)[C@@H]1CC 5822517 HGZUROCVIZWLIG-MGVICSHWSA-N 242.286 1.204 50 1 BDGF Cc1cc(=O)oc2nn(C(=O)CCl)c(C)c12 27626409 XKYPMWHMEDAUJM-UHFFFAOYSA-N 240.646 1.485 50 1 BDGF C=C(C#N)[C@@H](O)c1cc(OC)ccc1OC 40587717 QRUSKTSIVKHBRI-GFCCVEGCSA-N 219.240 1.817 50 1 BDGF COC(=O)[C@@H]1C[C@H]2C[C@H](N=C=S)[C@H]1C2 253634501 PBCHZYKOSIKXPT-MAUMQABQSA-N 211.286 1.677 50 1 BDGF COCCOC(=O)NCCCCN=C=S 1857607449 PNEKPVQLIYTDPR-UHFFFAOYSA-N 232.305 1.242 50 1 BDGF COC(=O)[C@H]1C[C@@H]2C[C@@H]1[C@H](N=C=S)C2 100801107 PBCHZYKOSIKXPT-XSPKLOCKSA-N 211.286 1.677 50 1 BDGF CC(=O)/C(C#N)=C1/NN=C2CCCCCN21 13124447 VLNZKGUAOLJOQN-LUAWRHEFSA-N 218.260 1.103 50 3 BDGF O=C(NN/C=C1/C=CC=N1)c1ccccc1O 13125759 CFRWZLLZDGTSBT-HJWRWDBZSA-N 229.239 1.109 50 3 BDGF CC(/C=C/c1ccccc1)=N\O[C@H](C)C(=O)NN 49088362 LARIKSPNTIHIJI-BAJUFXNOSA-N 247.298 1.471 50 1 BDGF CC(=O)N/N=C1\C=C(C)C(=O)c2cccc(O)c21 169350137 PDWJYLDXNJWSGT-XNTDXEJSSA-N 244.250 1.375 50 1 BDGF COc1ccc2nc([C@H](N)CCl)[nH]c2n1 587011747 UKLMVDYJXWQSPS-RXMQYKEDSA-N 226.667 1.205 50 1 BDGF N[C@H](CCl)c1nc2cncc([N+](=O)[O-])c2[nH]1 587009647 AWSUCVYABOERCQ-SCSAIBSYSA-N 241.638 1.105 50 1 BDGF C=C1C(=O)O[C@@H]2C[C@H](C)C(C=O)=CC[C@H]12 2356335643 BUGXCAHSFQQFOX-WHGOUJPWSA-N 206.241 1.639 50 1 BDGF N[C@H](CCl)c1nc2cc(F)cnc2[nH]1 587010892 NZNJDDVWRQKDRZ-RXMQYKEDSA-N 214.631 1.336 50 1 BDGF Clc1c[nH]c2nc(CBr)nc-2n1 586971764 YKNFBBUHKSRAML-UHFFFAOYSA-N 247.483 1.853 50 1 BDGF Cc1noc(C)c1/N=N/c1cccc(B(O)O)c1 170057378 NEJYHBWEPPDMNU-BUHFOSPRSA-N 245.047 1.387 50 1 BDGF C/C(CC1[C@H]2CCC[C@@H]1C2)=N\NC(N)=O 5922253 XFCNUFWXKHTDGW-KDBYGATNSA-N 209.293 1.857 50 1 BDGF CC#CC#CC#C/C=C1/OC[C@@H](Cl)[C@@H]2O[C@H]12 13385864 BMWMYKCPRLRDBC-YIDCGLTOSA-N 232.666 1.305 50 1 BDGF CN(C)C[C@@H]1C[C@H](CN(C)C)SS1 103278733 BUEWIWJJHJEUDU-DTORHVGOSA-N 220.407 1.632 50 1 BDGF O=C/C=C/c1ccccc1/C=C/C(=O)O 26500503 VJIOOBQLEWLJSO-ZICOWINBSA-N 202.209 1.997 50 1 BDGF COC(=O)/C=C/C1=CC=C(CO)SS1 21769 NXVMPZICJNOGOA-SNAWJCMRSA-N 230.310 1.871 50 1 BDGF CC1(C)C=C2[C@H](O)CO[C@H]2C[C@H]1Br 238760321 HNULJAOABSCBIT-HRDYMLBCSA-N 247.132 1.866 50 1 BDGF O=C1C=C2CCC[C@H]3C[C@@H]4OO[C@@]23[C@H](O1)O4 101304096 HBRSXPJMIVJFSC-BBHBSTQDSA-N 224.212 1.043 50 1 BDGF CS(=O)(=O)[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N=C=S 29477827 LRVKVRBCZASITK-HXFLIBJXSA-N 231.342 1.301 50 1 BDGF CC1=C(CCCl)C(=O)N2CCCC(=O)[C@H]2N1 957584895 AEVCBCNJKKBFDP-JTQLQIEISA-N 242.706 1.010 50 1 BDGF COC(=O)[C@@H]1C[C@@H]2C[C@@H](N=C=S)[C@@H]1C2 168383231 PBCHZYKOSIKXPT-FNCVBFRFSA-N 211.286 1.677 50 1 BDGF C=C[C@](C)(COC(=O)/C(C)=C\C)OO 238743951 DFLZEWKMJGFTBE-DAGBOUIGSA-N 200.234 1.930 50 1 BDGF C=C(C=O)[C@H](Cc1cc(C(C)=O)ccc1O)OC 238734655 JTMOFRTYJKYSLR-AWEZNQCLSA-N 248.278 1.907 50 1 BDGF CN1C=CN(CCBr)C1=CN=O 1857621927 JGMNQQVIALPLIN-UHFFFAOYSA-N 232.081 1.665 50 1 BDGF CC#CC#CC#CC#CC=C[C@H](Cl)CO 2356443746 XENVCRGQTABGKY-ZDUSSCGKSA-N 216.667 1.176 50 1 BDGF Oc1nc(O)c2ccc(C(Cl)Cl)nc2n1 587366667 OWIOIQUMCHHANU-UHFFFAOYSA-N 246.053 1.912 50 1 BDGF C=CCN(CC=C)P(=O)(N1CC1)N1CC1 95705709 SRMNABONKJHKFQ-UHFFFAOYSA-N 227.248 1.400 50 1 BDGF BrC/C=C/c1nc2cnncc2[nH]1 586974737 YTUWCRFZIRKXIU-OWOJBTEDSA-N 239.076 1.761 50 1 BDGF O=C1OC(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@@H]3C=C[C@@H]3[C@@H]12 195517048 UOHVXCZAZIYNAK-MPCAQHSBSA-N 228.247 1.166 50 1 BDGF C/C=C/C=C/C(=O)N/N=C/c1ccc(O)cc1 103214216 GVKZMZHKDJSJMA-JAKAVUGVSA-N 230.267 1.975 50 1 BDGF CS(=O)(=O)[C@H]1CCC[C@H](CN=C=S)C1 29468341 QZRFYFSUCVLHML-IUCAKERBSA-N 233.358 1.693 50 1 BDGF CC1(C)[C@@H]2CC[C@]1(C)C/C2=N\NC(N)=O 102124972 YMPPVYVPKPLDFH-GHWLPVGLSA-N 209.293 1.857 50 1 BDGF BrC/C=C\c1nc2ncc[nH]c-2n1 586973327 HQJULLLATQSUEV-UPHRSURJSA-N 239.076 1.713 50 1 BDGF CS(=O)(=O)[C@@H]1C[C@H]2C[C@H]1C[C@H]2N=C=S 253701751 LRVKVRBCZASITK-BZNPZCIMSA-N 231.342 1.301 50 1 BDGF CN(CC(=O)NN)c1ccc2ccccc2c1 5140685 UCLPVOKSQAOBRS-UHFFFAOYSA-N 229.283 1.266 50 1 BDGF COc1cc(/C=C/C=O)c(OC)c2c1OCO2 13370636 WTHYSOXPCHPBOG-ONEGZZNKSA-N 236.223 1.645 50 1 BDGF endogenous,in-man CS(=O)(=O)[C@@H]1C[C@@H]2C[C@@H](N=C=S)[C@H]1C2 34062738 WVSWWSJVHYAETB-JQCXWYLXSA-N 231.342 1.301 50 1 BDGF C=C(C=O)[C@H]1Cc2cc(C(C)=O)c(O)cc2O1 2356654848 MVVJTORJHJFAGN-GFCCVEGCSA-N 232.235 1.653 50 1 BDGF CC1=C(C[C@H]2C(C=O)=C(C)[C@H]3C[C@H]32)C(=O)OC1=O 95912870 DVJSCKNYRQCCDY-FBIMIBRVSA-N 246.262 1.558 50 1 BDGF biogenic,in-vitro Cc1ccc(/N=N/N(C)C(=O)[C@H](C)N)cc1 1860776 RVLCFMOLKLZEFA-IIAYEXGSSA-N 220.276 1.799 50 1 BDGF C=CCN(CC=C)[P@](=O)(N1CC1)[N@@]1C[C@@H]1C 1857743163 LXCIHXPVYQKJAG-PJODQICGSA-N 241.275 1.788 50 1 BDGF COP(=O)(CCCN=C=S)OC 1772598228 ATCIIBYSNNTCPM-UHFFFAOYSA-N 209.207 1.965 50 1 BDGF O=C(NNCc1ccco1)c1ccncc1 103244432 OUVCVJJRYROLFK-UHFFFAOYSA-N 217.228 1.109 50 1 BDGF CN1C=CN(CCOCCCl)/C1=C\N=O 148140356 SDUYPJXYSSAMQT-HJWRWDBZSA-N 231.683 1.526 50 1 BDGF O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@@H]3C=C[C@H]3[C@@H]12 254079900 UOHVXCZAZIYNAK-IKNOIHQQSA-N 228.247 1.166 50 1 BDGF N#C/C(C(=O)Nc1ccncc1)=C(/O)C1CC1 100047344 MVFWSEUEOADRKZ-KHPPLWFESA-N 229.239 1.766 50 1 BDGF CC(/C=N\NC(N)=O)=C\CCc1ccoc1 238782757 SMWFTKGODVEGRR-APDHGXCDSA-N 221.260 1.813 50 1 BDGF NNC(=O)c1cn2ccc3ccccc3c2n1 434357 WSNWYZBDIKCPIG-UHFFFAOYSA-N 226.239 1.091 50 1 BDGF in-vivo CS(=O)(=O)[C@@H]1C[C@H]2C[C@@H](N=C=S)[C@H]1C2 103023140 WVSWWSJVHYAETB-FNCVBFRFSA-N 231.342 1.301 50 1 BDGF CC(=O)CC[C@@]1(C(C)C)C=C[C@@](C)(O)OO1 85666133 CKPYOCWNNRFBGG-RYUDHWBXSA-N 228.288 1.977 50 1 BDGF COc1cc2c(cc1O)NC(=O)C2=C(C#N)C#N 13822325 MAEZWIJGAMCORN-UHFFFAOYSA-N 241.206 1.154 50 1 BDGF C=C1[C@H]2CC=C(C=O)[C@@](O)(C=O)[C@@H]2[C@@H](C)C[C@H]1C 2356589192 CUUXJJXXBLFSTO-DTIWESFOSA-N 248.322 1.910 50 1 BDGF CC1(C)OO[C@@]23CCCC[C@H]2CC(=O)O[C@@H]3O1 141114486 MVGLOTFWOPQIQO-XRNSZHNASA-N 242.271 1.903 50 1 BDGF C=C1C(=O)O[C@@H]2C[C@@H](C)C(C=O)=CC[C@@H]12 2356335642 BUGXCAHSFQQFOX-PPKCKEKNSA-N 206.241 1.639 50 1 BDGF C[C@H](O)C(=O)N/N=C\c1cccc2ccccc12 33394442 YKIRRENRKKEYBU-QNKACBJSSA-N 242.278 1.671 50 1 BDGF CCCCNNC(=O)c1ccc(CN[N+]#N)cc1 261186413 XPKWQZUJRJTFLM-UHFFFAOYSA-O 248.310 1.579 50 1 BDGF CS(C)(I)CCO 169713597 DKNXBCXXMBCRQY-UHFFFAOYSA-N 234.102 1.393 50 1 BDGF O=[P@]1(N2CC2)OCCCN1CCCl 1561181 ZIXPOIOWMASQOC-ZDUSSCGKSA-N 224.628 1.371 50 1 BDGF BrCc1nc2cnncc2[nH]1 586972402 PRBGSWAQVGRJKF-UHFFFAOYSA-N 213.038 1.248 50 1 BDGF CN(C)CCC[S@](=O)CCCCN=C=S 1857563542 ODLUZFWAJYXSRL-OAHLLOKOSA-N 248.417 1.570 50 1 BDGF O=C(OC1CSSC1)c1ccc[nH]1 96911536 BBFDZJDATHTFBI-UHFFFAOYSA-N 215.299 1.935 50 1 BDGF CN(C)C(=O)N/N=C/c1ccc(Cl)cc1 1756147 QIISRYVRKLRDRO-KPKJPENVSA-N 225.679 1.945 50 1 BDGF C=C1C=C(C(F)F)N2N=C(C(=O)Cl)NC2=N1 957629443 MLBJJPUPOMERED-UHFFFAOYSA-N 246.604 1.003 50 1 BDGF O=C(N/N=C/c1ccc[nH]1)c1ccnc(Cl)c1 653710171 ABLVNGXZNPFHSG-VIZOYTHASA-N 248.673 1.827 50 1 BDGF COc1cc(=O)oc(C=CC=CC=O)c1C 2356630989 MLFGJPIHJMFFLG-UHFFFAOYSA-N 220.224 1.725 50 1 BDGF S=C=Nc1ccc(OCC2=NCCN2)cc1 13601116 ONBRIDNZTDJOBP-UHFFFAOYSA-N 233.296 1.801 50 1 BDGF O=C(N/N=C/c1ccco1)c1ccc([N+](=O)[O-])o1 34185440 MCBMXONVNRWYLS-IZZDOVSWSA-N 249.182 1.545 50 1 BDGF Oc1nc(O)c2nc([C@@H](Cl)CCl)[nH]c2n1 587009299 ZRNOVXVAVMDFRD-REOHCLBHSA-N 249.057 1.283 50 1 BDGF COc1cc(/C(C)=C(\C#N)C(=O)O)ccc1O 14944545 NFHQLTFHKJHSIE-VQHVLOKHSA-N 233.223 1.782 50 1 BDGF Cc1cc2c(O)nc(O)nc2nc1CCl 587365233 BPWYHUXSBPPQLE-UHFFFAOYSA-N 225.635 1.483 50 1 BDGF CN(C)P(=O)([N@]1CC1(C)C)[N@]1CC1(C)C 1857536058 UPFIZZQXSROILW-CHWSQXEVSA-N 231.280 1.845 50 1 BDGF C[C@@H](CC(=O)NN)Nc1ccc2ncccc2c1 5929386 DBTZQPYPILRVAB-VIFPVBQESA-N 244.298 1.415 50 1 BDGF CCCCc1ccc(NC(=O)CC(=O)NN)cc1 299828527 RLXWUFAYVBLGRG-UHFFFAOYSA-N 249.314 1.348 50 1 BDGF NNC(=O)c1ccnc(Cc2ccccc2)c1 6580959 KBTGPNGZJONDLB-UHFFFAOYSA-N 227.267 1.276 50 1 BDGF OC[C@@H]1[C@H](Cl)N=NN1c1ccccc1 169728076 YVLWGOPVYTWNBP-RKDXNWHRSA-N 211.652 1.800 50 1 BDGF CC1(C)CC(O)=C(C#N)/C(=N/CCCO)C1 13154840 IBUCCEZLYHRSCT-GXDHUFHOSA-N 222.288 1.965 50 1 BDGF COc1cc(=O)oc(/C=C/C=C/C=O)c1C 13397899 MLFGJPIHJMFFLG-GGWOSOGESA-N 220.224 1.725 50 1 BDGF O=NN(CCCl)C(=O)Nc1cccnc1 5373076 UPPQCQAXXMVSGI-UHFFFAOYSA-N 228.639 1.836 50 1 BDGF O=S1(=O)CSCSSC1 14765196 YTYZQLUHYRCGIP-UHFFFAOYSA-N 202.347 1.402 50 1 BDGF C=C(C=O)[C@H]1[C@@H]2[C@H](CC=C(C=O)[C@@H]1C=O)C2(C)C 238745392 SCQAWIJMLAWHOZ-FQUUOJAGSA-N 246.306 1.974 50 1 BDGF COc1cccc2nc([C@H](N)CCl)[nH]c12 587010515 LDRXYUUGKKSUEZ-ZCFIWIBFSA-N 225.679 1.810 50 1 BDGF C[C@H](Br)c1nc2cncnc2[nH]1 587008256 KQZUIVWFKPZUCX-BYPYZUCNSA-N 227.065 1.809 50 1 BDGF CC(=O)O[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@H]1N2C 169350802 RFOPZQIWRBGGQZ-DOLQZWNJSA-N 217.696 1.392 50 1 BDGF CCC#CNOOCc1ccc([C@H](N)N=O)cc1 957684360 PVSLBCJAGGYLFH-GFCCVEGCSA-N 249.270 1.734 50 1 BDGF CC1=CC2=C(C=O)C(=O)[C@@](C)(O)[C@@H](C)C2=CO1 2356640631 KQQNJGOEIIVEGU-SDBXPKJASA-N 234.251 1.270 50 1 BDGF N#C/C=C/c1cc(=O)[nH]nc1-c1ccccc1 13588732 FUXZVGAXVWRQNG-QPJJXVBHSA-N 223.235 1.974 50 1 BDGF Nc1ccnc2[nH]c(CBr)nc12 586972360 NQNJLWDNLVPOKY-UHFFFAOYSA-N 227.065 1.435 50 1 BDGF Oc1ccc(O)n1-c1ccnc(CCl)n1 587941902 YPVMJRXMXTZLCB-UHFFFAOYSA-N 225.635 1.417 50 1 BDGF O=[S@]1SC(=S)[C@@H]2C=CC=C[C@@H]21 5835552 WRTNFGRDPACJHT-LJNABYEQSA-N 202.325 1.835 50 1 BDGF O[C@@]12CCCC[C@H]1[C@H]1CCCC[C@@]1(O)OO2 169314369 UJWRFHVPSREDON-WRWGMCAJSA-N 228.288 1.706 50 1 BDGF Oc1nc(O)c2ccc(CCl)nc2n1 587365508 DHVNZZPNMAAWIW-UHFFFAOYSA-N 211.608 1.175 50 1 BDGF Cc1ccc(C(=O)NN/C=C2/C=CC=N2)cn1 13110892 ROHXIPRRPAMKPS-FLIBITNWSA-N 228.255 1.106 50 3 BDGF CC(C)(C)SSCN(N)C(=O)O 27184399 DHIMWGROAMFTHH-UHFFFAOYSA-N 210.324 1.978 50 1 BDGF O=CC1=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2O1 2356725604 QPMUFVUFCULNPS-MFKMUULPSA-N 228.203 1.163 50 1 BDGF CC1=C(/C=C/CCCC[C@@H](C)O)C(=O)OC1=O 140830924 AEYAUJJXGSCJRE-BNICOGTQSA-N 238.283 1.884 50 1 BDGF N[C@@H](CSSC1CCCC1)C(=O)O 33622264 YZTTYCHSXMGEER-ZETCQYMHSA-N 221.347 1.722 50 1 BDGF in-vitro COc1ccc(/C=C(\C#N)Cn2cnnn2)cc1 169321237 JDVAIGNCWSMQTA-IZZDOVSWSA-N 241.254 1.289 50 1 BDGF C=C1C(=O)O[C@@H]2C[C@H](C)C(C=O)=CC[C@@H]12 2356335641 BUGXCAHSFQQFOX-BKDNQFJXSA-N 206.241 1.639 50 1 BDGF CC1(C)C[N@@]1P(N)(=O)[N@]1CC1(C)C 1857536049 OAMDGGMRNBFOTB-GHMZBOCLSA-N 203.226 1.242 50 1 BDGF CC(=O)Oc1c(C)n(CCCl)ccc1=O 1584325 XAKZUSAZPSZZIA-UHFFFAOYSA-N 229.663 1.321 50 1 BDGF O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2[C@@H]3C=C[C@H]3[C@@H]12 254079899 UOHVXCZAZIYNAK-GJFOIXJJSA-N 228.247 1.166 50 1 BDGF O=C(O)[C@H]1[C@@H]2CC[C@@H]1[C@@H](Br)C2=O 263591130 DAWDCUWVWJLJCU-UNTFVMJOSA-N 233.061 1.060 50 3 BDGF CC1(C)[C@@H]2CC[C@@]1(C)C/C2=N/NC(N)=O 4151001 YMPPVYVPKPLDFH-OHLIMIBESA-N 209.293 1.857 50 1 BDGF C[N+](C)(CCBr)CCCC(=O)O 169309005 GTVDDKLCFZQOFY-UHFFFAOYSA-O 239.133 1.323 50 1 BDGF CC#CC#CC#C/C=C1\OC[C@@H](Cl)[C@@H]2O[C@H]12 238778405 BMWMYKCPRLRDBC-LSPNSLOKSA-N 232.666 1.305 50 1 BDGF CC1=C(Cl)C(=O)O[C@@H]1[C@@H](Cl)C(=O)O 85601725 SZWLKMNDJDVAHQ-UHNVWZDZSA-N 225.027 1.117 50 1 BDGF in-vitro CN(C)CCCNC(=O)N/N=C/c1ccccc1 1635052 HDAMACVELHPZHG-RVDMUPIBSA-N 248.330 1.271 50 1 BDGF O=NN(CCCl)C(=O)N[C@H]1CCCC[C@H]1O 5133999 STQSMIAHSQBRBH-JGVFFNPUSA-N 249.698 1.222 50 1 BDGF CCOC(=O)C1=C(C#N)C(=S)N=C(C)C1 72137535 SOFSCMAOOMTDQZ-UHFFFAOYSA-N 222.269 1.562 50 1 BDGF O=[N+]([O-])c1cccc2nn(CCCCl)nc12 1772649972 JSACWQRZAJKVOZ-UHFFFAOYSA-N 240.650 1.968 50 1 BDGF CC(=O)O[C@H]1C[C@@H]2C[C@@H](Cl)C[C@@H]1N2C 169350800 RFOPZQIWRBGGQZ-KATARQTJSA-N 217.696 1.392 50 1 BDGF CC(=O)CC[C@@]1(C(C)C)C=C[C@](C)(O)OO1 85666138 CKPYOCWNNRFBGG-NEPJUHHUSA-N 228.288 1.977 50 1 BDGF CC12CCC3(C[C@H]4CO4)[C@](C)(OO[C@@]3(C)O1)O2 103022716 JDXUMISUWIYYKD-PFMLMYEXSA-N 242.271 1.713 50 1 BDGF CCN1C(=O)c2ccccc2C1=CC=O 2356328756 FXPHBDIUPMICSK-UHFFFAOYSA-N 201.225 1.702 50 1 BDGF CC1(C)[C@@H]2CC=C(/C=N\NC(N)=O)[C@H]1C2 36502502 HGKFDXYMYDSWIH-KWAPPXRUSA-N 207.277 1.633 50 1 BDGF biogenic C=CCOC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 28979923 MKNFPJAESKLVLF-UXBLZVDNSA-N 239.187 1.434 50 1 BDGF CC(=O)O[C@@H]1C=C2C(C)(C)OO[C@]2(O)C[C@@H]1C 137362024 IOJXYLFIAUMMPZ-LPBBDHJYSA-N 242.271 1.313 50 1 BDGF COc1nccc2nc([C@H](N)CCl)[nH]c12 587010319 IRQMRTXSNLZCRH-RXMQYKEDSA-N 226.667 1.205 50 1 BDGF CN1C=CN(CCOCCCl)C1=CN=O 1857535470 SDUYPJXYSSAMQT-UHFFFAOYSA-N 231.683 1.526 50 1 BDGF Cc1cc(=O)oc2nn(CCCl)c(C)c12 27627155 CWHBFZGERKDNIZ-UHFFFAOYSA-N 226.663 1.845 50 1 BDGF CNP(=O)(N1CC1(C)C)N1CC1(C)C 44323561 KOMZEUJNYSDTOF-UHFFFAOYSA-N 217.253 1.502 50 1 BDGF O=[S@]1SC(=S)[C@H]2C=CC=C[C@H]21 5835748 WRTNFGRDPACJHT-WGDKSQQYSA-N 202.325 1.835 50 1 BDGF OCc1ccc2nc(CBr)[nH]c2c1 586972369 OFKITLOUQHANBM-UHFFFAOYSA-N 241.088 1.950 50 1 BDGF ClC[C@H](Cl)c1nc2cncnc2[nH]1 587008846 QZBDDMOFXXLSOI-BYPYZUCNSA-N 217.059 1.872 50 1 BDGF N#C/C(C(=O)CCCl)=C1\C=CC=CN1 13121854 FCGWIZCFXUMIRM-HJWRWDBZSA-N 208.648 1.635 50 3 BDGF CC1(C)CCC(=O)[C@@H]2OO[C@H]3C[C@]21CC[C@@H]3O 2356829260 IWPQCLJNZZYEJO-KYVBTAMFSA-N 240.299 1.606 50 1 BDGF C#CC[C@@]12CC[C@@]3(C)O[C@@]1(C)OO[C@@]2(C)O3 254092511 JUMYGEWYCTWGKV-HUVAQWKNSA-N 224.256 1.947 50 1 BDGF CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3(C=O)C[C@]23C)[C@@H]1O 34458684 DOOHOEWKYBEXLP-JQPXUNLUSA-N 248.322 1.744 50 1 BDGF C/C=C(C)\C=N\NC(=O)CCCCC(=O)NO 95808557 FXCGTLDPDPLGQM-WRSRVNEOSA-N 241.291 1.120 50 1 BDGF CCC(CC)NNC(=O)c1ccncc1 5964852 PLUXQVPKWVBSHD-UHFFFAOYSA-N 207.277 1.505 50 1 BDGF CC(C)(C)OC(=O)NN/C=C1/C=CC=N1 15961426 MAXJRVOQRBOVAU-FPLPWBNLSA-N 209.249 1.498 50 3 BDGF COc1cc(C=CC=O)c(OC)c2c1OCO2 2356761700 WTHYSOXPCHPBOG-UHFFFAOYSA-N 236.223 1.645 50 1 BDGF NNC(=O)CSc1nc(-c2ccccc2)c[nH]1 15957008 OLDXJMDUZJPBGO-UHFFFAOYSA-N 248.311 1.159 50 3 BDGF C[C@H](Br)c1nc2ncc[nH]c-2n1 587007623 BTFBKZSMWYJJSA-BYPYZUCNSA-N 227.065 1.760 50 1 BDGF COC(=O)[C@@]12C=C[C@@](C(C)C)(CC1)OO2 103288925 VQTXTDQCIXPBJS-WDEREUQCSA-N 212.245 1.605 50 1 BDGF O=C1OC[C@H]2CCC[C@H](Br)[C@@H]12 103216736 AAHHSYRUGLBDDU-VQVTYTSYSA-N 219.078 1.723 50 1 BDGF CCC#CNOOC[C@@H]1CCC[C@H](C(=O)O)C1 101324554 MCEZUEGUFNMZNA-MNOVXSKESA-N 241.287 1.701 50 1 BDGF Nc1ccccc1SSC[C@H](N)C(=O)O 58632180 ZHCKRZMSUKPEHB-ZETCQYMHSA-N 244.341 1.421 50 1 BDGF in-vitro C#CC#Cc1ccc(C#C[C@H](O)CCl)s1 13380211 VDWVTFUECRWWOG-JTQLQIEISA-N 234.707 1.684 50 1 BDGF biogenic,in-vitro C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@H](Cl)[C@H]1C 2356793650 HJWWNKBZDCEMPH-QEYWKRMJSA-N 230.691 1.649 50 1 BDGF O=CC1=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]2O1 2356725602 QPMUFVUFCULNPS-GWCFXTLKSA-N 228.203 1.163 50 1 BDGF C/C(=N\NC(=O)c1ccncc1)C(F)(F)F 17255953 KKECQLSDZHKDEC-MKMNVTDBSA-N 231.177 1.750 50 1 BDGF C[C@@H](Cl)c1ccc2c(O)nc(O)nc2n1 587365071 AQCMGIYDYSFIKO-SCSAIBSYSA-N 225.635 1.736 50 1 BDGF Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587940349 OHPSNFLLHGMZCI-UHFFFAOYSA-N 239.662 1.726 50 1 BDGF N#CC1=C(N)[C@@H]2Cc3ccccc3O[C@@H]2C=C1N 101007208 MGIGNFBFECSGFE-NOZJJQNGSA-N 239.278 1.199 50 1 BDGF N[C@@H](CSSc1ccncc1)C(=O)O 263620650 KKZLPOFNAGBKFL-ZETCQYMHSA-N 230.314 1.234 50 1 BDGF in-vitro N=c1cc2nc([C@@H](Cl)CCl)[nH]c2c[nH]1 587008674 QGFCFSACYHQATM-BYPYZUCNSA-N 231.086 1.889 50 1 BDGF COC[C@H]1CC(C)(C)OO[C@@]1(C)OC 103287402 SYHUDEKFAVUXOX-PSASIEDQSA-N 204.266 1.742 50 1 BDGF O=C(N/N=C/c1ccoc1)c1ccccn1 95809723 MANUTKNBJQMFDK-NTUHNPAUSA-N 215.212 1.439 50 1 BDGF C=CC(C)(C)c1nc2ccc(C(=O)NN)cc2[nH]1 587954348 PVWPJRKDQBDKGY-UHFFFAOYSA-N 244.298 1.630 50 1 BDGF CC(=O)Oc1ccc(F)cc1/C=C/C=O 1857651510 DMGUSMLFQXYRAW-NSCUHMNNSA-N 208.188 1.963 50 1 BDGF C=C1C(=O)O[C@@H]2CC[C@H](CBr)[C@H]12 1772633174 HMIBHXOAQILGLC-PRJMDXOYSA-N 231.089 1.889 50 1 BDGF O=C(CCCCC(=O)NN=C1CCCC1)NO 95809731 MCFLAPSNOVDPKI-UHFFFAOYSA-N 241.291 1.098 50 1 BDGF CC1=C(Cl)C(=O)O[C@@H]1[C@H](Cl)C(=O)O 85601720 SZWLKMNDJDVAHQ-WHFBIAKZSA-N 225.027 1.117 50 1 BDGF in-vitro Cc1cc2[nH]c([C@H](N)CCl)nc2c(C)n1 587010657 MOMGZMOBYOBLOG-SSDOTTSWSA-N 224.695 1.813 50 1 BDGF CC/C(=C\C=C\C1=C(C)C(=O)OC1=O)C(=O)O 85966761 CEZITUXGGUVZCK-HLQBBKRNSA-N 236.223 1.364 50 1 BDGF BrCc1nc2cccnc2[nH]1 586971912 AOHTVDUOFDUCFL-UHFFFAOYSA-N 212.050 1.853 50 1 BDGF N#CC(C#N)=C(C#N)c1ccc(C=O)cc1 49878090 ANCUEEOEKXHAFS-UHFFFAOYSA-N 207.192 1.823 50 1 BDGF O=C(CCl)Nc1nnc(S)s1 96934138 QZMBUACSDTUYOB-UHFFFAOYSA-N 209.683 1.004 50 1 BDGF C/C(=C/C(=O)c1ccccc1)NNC(=O)CC#N 198365178 GGVCZDKAPPJBJE-KTKRTIGZSA-N 243.266 1.308 50 1 BDGF CC1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31/C=N\NC(N)=O 238777807 BBCLOQRCLGIEKN-ZICKUURGSA-N 207.277 1.323 50 1 BDGF Cc1nn(C)c(Cl)c1OOSN 101056828 WSTJYTZNTUTOPP-UHFFFAOYSA-N 209.658 1.214 50 1 BDGF COc1cccc2c1C(C=O)=C(CO)OC(C)=C2 14721456 CREMPVZYABCSKM-UHFFFAOYSA-N 246.262 1.989 50 1 BDGF N#CC(C#N)=C1NN=C(Cl)c2ccccc21 1617889 ZDUKKPMFWHQLLA-UHFFFAOYSA-N 228.642 1.948 50 1 BDGF CC#CC#CC#CC=C1OC[C@H](Cl)[C@H]2O[C@H]12 2356496008 BMWMYKCPRLRDBC-CYZMBNFOSA-N 232.666 1.305 50 1 BDGF N#Cc1cc2nc([C@H](N)CCl)[nH]c2cc1C#N 587010646 MFGIGDDARAEAKQ-MRVPVSSYSA-N 245.673 1.545 50 1 BDGF C/C(=N\NC(=O)c1ccccc1)c1cnccn1 13885582 IHJPGPNSIJMVMT-MHWRWJLKSA-N 240.266 1.631 50 1 BDGF COc1cc(C(=O)OO)cc(OC)c1O 238782026 YFBSBLHMAWUCJB-UHFFFAOYSA-N 214.173 1.039 50 1 BDGF Fc1cnc2[nH]c(CBr)nc2c1 586972077 FRGIFDVXLVSKTH-UHFFFAOYSA-N 230.040 1.992 50 1 BDGF Oc1ncnc2[nH]c([C@@H](Cl)CCl)nc12 587007976 KAKPMQPZPXNQDI-VKHMYHEASA-N 233.058 1.577 50 1 BDGF CCSC(=S)NNC(=O)c1ccccn1 169335725 YWRYDWGEXGTLCL-UHFFFAOYSA-N 241.341 1.354 50 1 BDGF OB(O)c1cccc(/N=N/c2ccccc2O)c1 170057390 LNCMNFWTKOJUEL-CCEZHUSRSA-N 242.043 1.487 50 1 BDGF CC(=N)/C(C#N)=C(/O)COC(=O)c1ccncc1 101673543 BOLBNCPHFZQFIR-TTZMRQBOSA-N 245.238 1.614 50 1 BDGF N[C@H](CCl)c1nc2cnc(Cl)[nH]c-2n1 587011351 RHTTYTHVOSBMJY-GSVOUGTGSA-N 232.074 1.197 50 1 BDGF CC(=O)OCC1=CC=C(CO)SS1 5857018 WAKKZDYMNNJABH-UHFFFAOYSA-N 218.299 1.705 50 1 BDGF C=C1[C@H](C)C[C@H](O)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@H]12 2356335469 AKSBEXNBIJAHCH-NSAPBPOKSA-N 248.322 1.910 50 1 BDGF C=C(C#N)[C@H](O)c1cc(OC)c(OC)c(OC)c1 34559917 XABDAJJGMJYKJL-LBPRGKRZSA-N 249.266 1.826 50 1 BDGF C=C(C=O)[C@@H](Cc1cc(C(C)=O)ccc1O)OC 2356441219 JTMOFRTYJKYSLR-CQSZACIVSA-N 248.278 1.907 50 1 BDGF CS(=O)(=O)[C@H]1C[C@@H]2C[C@@H](N=C=S)[C@H]1C2 35077617 WVSWWSJVHYAETB-KDXUFGMBSA-N 231.342 1.301 50 1 BDGF COC(=O)C[C@@H]1CC[C@@](C)(OC)OO1 43427099 WSVFJQOPDCNUAU-CBAPKCEASA-N 204.222 1.023 50 1 BDGF CCC(=O)/C(C#N)=C1\NN=C2CCCCCN21 12467926 HGUQTXZMNBVDTJ-FMIVXFBMSA-N 232.287 1.493 50 3 BDGF CC=CC#CC#CC#CC=C[C@H](O)CCl 2356386971 BWFFGWCCMCLGBQ-ZDUSSCGKSA-N 218.683 1.729 50 1 BDGF C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@@H](Cl)[C@@H]1C 2356793652 HJWWNKBZDCEMPH-UTINFBMNSA-N 230.691 1.649 50 1 BDGF Nc1ccc2cc3ccccc3cc2c1B(O)O 238809488 UUKFLWBIQWSNTL-UHFFFAOYSA-N 237.067 1.255 50 1 BDGF N#C/C(=C\c1cccc(-c2cn[nH]c2)c1)C(N)=O 224396132 YCZXMEXRJXFIIS-VZUCSPMQSA-N 238.250 1.469 50 1 BDGF in-vitro CS(=O)(=O)SCc1ccc(C(=O)O)cc1 26381867 SXPNYKHQIBBPMG-UHFFFAOYSA-N 246.309 1.578 50 1 BDGF Oc1nc(O)c2cc3c(nc2n1)[C@@H](Cl)CC3 587369108 VCMRIEIMOSXXKF-LURJTMIESA-N 237.646 1.662 50 1 BDGF CC(/C=C/c1ccccc1)=N\O[C@@H](C)C(=O)NN 49088361 LARIKSPNTIHIJI-RMPLJOKMSA-N 247.298 1.471 50 1 BDGF Nc1cc2nc(CBr)[nH]c2cc1N 586972159 ITWAAGIPSYYIOH-UHFFFAOYSA-N 241.092 1.622 50 1 BDGF CC(C)NNC(=O)c1cccc(Cl)c1 148897015 SKBKZUUEVACNFX-UHFFFAOYSA-N 212.680 1.983 50 1 BDGF Cc1ccc(C(=O)NNC(C)C)cc1C 169334287 GEWNRARQSAZNCY-UHFFFAOYSA-N 206.289 1.946 50 1 BDGF CC(=O)c1cc([C@H]2OC[C@@H](N)[C@@H]2Cl)oc1C 28895645 NRQKGSNGUHFYHG-DVVUODLYSA-N 243.690 1.797 50 1 BDGF COc1ccc(C=CC=O)c2c1OCO2 2356517666 QMZBSVAOYOMTPD-UHFFFAOYSA-N 206.197 1.636 50 1 BDGF O=[S@]1SC(=S)[C@H]2C=CC=N[C@H]21 5835755 XLDAYWQKBYTOEC-PIICZHFCSA-N 203.313 1.307 50 1 BDGF O=C(O)CCCNC(=O)NN=C1CCCC1 28643567 QLOULFZOPSQWFB-UHFFFAOYSA-N 227.264 1.080 50 1 BDGF BrC/C=C\c1nc2cncnc2[nH]1 586974380 VYHPDNSNIUJNPB-UPHRSURJSA-N 239.076 1.761 50 1 BDGF COOC(=O)c1cc2cc(O)c(O)cc2cn1 43439837 WZQKBIHZCQSMLQ-UHFFFAOYSA-N 235.195 1.364 50 1 BDGF Cc1nc2nc(O)nc(O)c2cc1CCCl 587368732 NXGAMGUOPCIZNB-UHFFFAOYSA-N 239.662 1.526 50 1 BDGF CCC#CNOOC[C@H]1CCC[C@H](C(=O)O)C1 101324558 MCEZUEGUFNMZNA-QWRGUYRKSA-N 241.287 1.701 50 1 BDGF CCC#CNOOCC1CCC(C(=O)O)CC1 101789602 LJYQPSBUNCOFLM-UHFFFAOYSA-N 241.287 1.701 50 1 BDGF CNP(=O)([N@]1CC1(C)C)[N@]1CC1(C)C 1857536062 KOMZEUJNYSDTOF-VXGBXAGGSA-N 217.253 1.502 50 1 BDGF C/C(C=O)=C\Cc1cc(C=O)cc(O)c1O 14609981 GYXDZVGSSXSODD-KRXBUXKQSA-N 220.224 1.598 50 1 BDGF CCC#CNOOC[C@@H]1CCC[C@@H](C(=O)O)C1 101324560 MCEZUEGUFNMZNA-GHMZBOCLSA-N 241.287 1.701 50 1 BDGF C=C1C(C)=C(C#N)C(=O)N1N1CCCCC1 64574043 XCMRNAFQMZYIMF-UHFFFAOYSA-N 217.272 1.583 50 1 BDGF N#CC(C#N)=CN1CCN(c2ccccn2)CC1 40375221 FYOUTMPARLRIJS-UHFFFAOYSA-N 239.282 1.135 50 1 BDGF C[C@H](Br)c1nc2c[nH]c(=N)[nH]c-2n1 587009182 VUELJLHNONOCHQ-VKHMYHEASA-N 242.080 1.173 50 1 BDGF CC12CC/C(=N/NC(N)=O)C3[C@@H]1CCC[C@H]32 17190337 WMRCJJSQPCMZJI-FKYVPLCWSA-N 221.304 1.857 50 1 BDGF NNC(=O)c1c(N)sc2c1CCCCCC2 102888996 VVOSXPGCFLXSJJ-UHFFFAOYSA-N 239.344 1.593 50 1 BDGF O[C@H]1CSSC[C@H](O)CSSC1 238731358 PDDAWBKYAQATSA-OLQVQODUSA-N 244.428 1.485 50 1 BDGF C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCl 299819741 DEVCGVPOPQRLIR-NKWVEPMBSA-N 235.667 1.046 50 1 BDGF CC1=C(C[C@@H]2C(C=O)=C(C)[C@H]3C[C@@H]32)C(=O)OC1=O 2356493726 DVJSCKNYRQCCDY-MIMYLULJSA-N 246.262 1.558 50 1 BDGF CC1(C)[C@@H]2CC(=O)[C@@]1(C)[C@@H](O)[C@@H]2Br 31852545 YFOGAKDZBMEIPI-RWDUTDNCSA-N 247.132 1.746 50 1 BDGF CC(=O)C(C)(OOC(C)(C)C)C(C)=O 95552682 VZKKQTFPNKRFSE-UHFFFAOYSA-N 202.250 1.670 50 1 BDGF Cc1[nH]cnc1/C=N/NC(=O)c1ccccc1O 95808415 BNHCTMDKWZWLER-GIDUJCDVSA-N 244.254 1.188 50 1 BDGF COc1cc([C@@H](O)[C@H](O)CCl)ccc1O 15112863 YGHRQWKTVXMGDU-PSASIEDQSA-N 232.663 1.034 50 1 BDGF endogenous,in-man O=C(Br)c1ccc2c(c1)C(=O)NC2 29055580 LEFRYFSYAWRTAF-UHFFFAOYSA-N 240.056 1.465 50 1 BDGF C/C=C\C#CC#CC#C/C=C/[C@@H](O)CCl 13386584 BWFFGWCCMCLGBQ-UCGAEHFDSA-N 218.683 1.729 50 1 BDGF endogenous,in-man CC1=C(Cl)C(=O)O[C@H]1[C@H](Cl)C(=O)O 85601722 SZWLKMNDJDVAHQ-CRCLSJGQSA-N 225.027 1.117 50 1 BDGF in-vitro