smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1cc(Cl)ccc1[C@@H]1NCCc2nc3ccccn3c21 962987510 MYMJEBQSWVPADL-HNNXBMFYSA-N 299.761 2.928 10 1 CFCF N=C(N)/N=N/c1c(O)[nH]c2ccc(Br)cc12 17877686 YJRANHWEJGJOQV-CCEZHUSRSA-N 282.101 2.613 10 1 CFCF O=C1C(/C=C/c2ccccc2)=S=C2C=CC=CN12 377407646 POFWDMXWYKJOAT-MDZDMXLPSA-N 253.326 2.661 10 1 CFCF Oc1ccc(-c2ccc(Cn3ccnc3)cc2)c(O)c1O 14946282 QPTBYMJFQCZKEK-UHFFFAOYSA-N 282.299 2.715 10 1 CFCF Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(OCCO)cc12 169348615 JJVLYAGNDVTILM-UHFFFAOYSA-N 299.326 2.926 10 1 CFCF CCOC(=O)/N=N/C(=O)Nc1ccc([N+](=O)[O-])cc1 28948506 FOOZCEAAOURSRD-OUKQBFOZSA-N 266.213 2.735 10 1 CFCF COc1cccc2c1CC[C@H]1C(=[N+]=[N-])C(=O)CC[C@]21C 3823277 HGTLGXPRBSYEIY-BLLLJJGKSA-N 270.332 2.549 10 1 CFCF O=C1c2ccccc2-c2c(O)c(O)cc3ccnc1c23 6117840 PXJWAJDNCNJNLN-UHFFFAOYSA-N 263.252 2.857 10 1 CFCF Cc1coc2cc(-c3ccc(O)c(O)c3)oc(=O)c12 45365520 LMNYIHOVVXGRTI-UHFFFAOYSA-N 258.229 2.773 10 1 CFCF CC1(C)OC(=O)C(N=Nc2ccccc2[N+](=O)[O-])=C(O)O1 254010513 HSLKVPXPRIRWPT-UHFFFAOYSA-N 293.235 2.715 10 1 CFCF CN(C)c1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)cc1 474610063 ZQNDDCRUJDNASW-DHDCSXOGSA-N 280.327 2.951 10 1 CFCF O=C1c2ccccc2C(=O)C1c1cnc2ccccc2n1 169686770 UEVKBJRGLDBEDH-UHFFFAOYSA-N 274.279 2.793 10 1 CFCF OC1=C[C]2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C=C1 2356821051 VOEBXFQHCKAMSV-UHFFFAOYSA-N 287.247 2.530 10 1 CFCF CCn1ccc2ccc([C@H]3c4c(cnn4C)CCN3C)cc21 963955256 OPSKVJRWOBPZIC-KRWDZBQOSA-N 294.402 2.972 10 1 CFCF C[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 28974985 WTOWZADSSKQQQE-PWJLMRLQSA-N 288.299 2.821 10 1 CFCF in-vivo Oc1ccc2cc(-c3cc(O)c(O)c(O)c3)oc2c1 2356692464 WTQKBROURKZUNY-UHFFFAOYSA-N 258.229 2.922 10 1 CFCF O=c1oc2ccccc2cc1-c1ccc(O)c(O)c1 53295572 MGNYKDMLQUROKX-UHFFFAOYSA-N 254.241 2.871 10 1 CFCF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N=[N+]=[N-])[C@@H]1O 5963927 WGORJBPGNNZISJ-YPMHNXCESA-N 287.275 2.676 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@H]2C=CC[C@H]21 1911580123 IIYICOXZZSSRRG-IXPVHAAZSA-N 273.332 2.712 10 1 CFCF O=C(OCC1CCCCC1)c1ccc(O)c(O)c1 27315544 KIGQDOXPAOYTEZ-UHFFFAOYSA-N 250.294 2.835 10 1 CFCF COc1ccc2c(c1)O[C@@H]1c3ccc(O)c(O)c3OC[C@@H]21 14820479 YRFDJOAWSXSLMG-XHDPSFHLSA-N 286.283 2.716 10 1 CFCF endogenous,in-man COc1ccc(CN(CCN(C)C)c2ccc(N)cc2)cc1 1857572360 SZJYBRPSOJYSRA-UHFFFAOYSA-N 299.418 2.846 10 1 CFCF Oc1ccc([C@H]2CCc3cc(O)c(O)cc3O2)cc1 2356687327 LTTHJRRYNPICTD-CQSZACIVSA-N 258.273 2.870 10 1 CFCF CN1CCN(c2ccc(NCc3ccccc3O)cc2)CC1 76262581 JKGUKGJQXMROHV-UHFFFAOYSA-N 297.402 2.756 10 1 CFCF CCCCn1c(C)nc2c1C(=O)c1ccccc1C2=O 1857591066 FXFRIKXHAUHEGW-UHFFFAOYSA-N 268.316 2.767 10 1 CFCF Cc1ccc2nc3c(n2c1)C(=O)C(=O)c1ccccc1-3 34745553 CKBXCZFOKKJSQY-UHFFFAOYSA-N 262.268 2.689 10 1 CFCF CCc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O 15204997 SPSWRIOYEJHQJQ-UHFFFAOYSA-N 252.269 2.730 10 1 CFCF biogenic,in-vitro COc1cc([C@H](Cc2ccc(O)cc2)OC)cc(O)c1O 59085792 NETURQQBHBZIMJ-AWEZNQCLSA-N 290.315 2.742 10 1 CFCF in-vitro CCC[C@H](C)OC(=O)C=Cc1ccc(O)c(O)c1 2356402187 AGXDVPULWUXVDT-JTQLQIEISA-N 250.294 2.843 10 1 CFCF O=c1oc(-c2ccc(O)c(O)c2)cc2ccccc12 13339726 DOBMISAWHXHPKE-UHFFFAOYSA-N 254.241 2.871 10 1 CFCF COc1cccc([C@H]2Oc3cc(OC)ccc3C(=O)C2=O)c1 957811059 NMSLABLVTRVMOX-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF CN(C)c1cc(/N=N/Cc2ccccc2)nc(N(C)C)n1 169686960 AAUUMJRQTYQEHL-KNTRCKAVSA-N 284.367 2.893 10 1 CFCF Oc1cc2c(c(F)c1O)CCNC[C@H]2c1ccccc1 26386737 LXZIBTPIJYEOGH-ZDUSSCGKSA-N 273.307 2.515 10 1 CFCF COc1cccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587193069 ROTMMLIXOLZIPP-UHFFFAOYSA-N 297.358 2.667 10 1 CFCF O=c1oc2c(O)cccc2cc1-c1ccc(O)c(O)c1 13340694 PCBWMOGIYWSXTA-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF CCCN1CC[C@H]2CCc3cc(O)c(O)cc3[C@H]2C1 71280448 JINMEYABTYRTEZ-RISCZKNCSA-N 261.365 2.860 10 1 CFCF [N-]=[N+]=NCC1=NO[C@H](c2ccc(N3CCOCC3)cc2)C1 40916137 ZDWHNXUVGJNGPD-AWEZNQCLSA-N 287.323 2.651 10 1 CFCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cccc(Cl)c1 169325512 OSJDAPBFVFNIFI-CCEZHUSRSA-N 295.755 2.645 10 1 CFCF O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)cc(O)c1O 49070078 IBAIYKJWCUZXRG-UHFFFAOYSA-N 299.242 2.723 10 1 CFCF Oc1ccc(C/N=N/c2ccc(Cl)nn2)c(O)c1O 169689046 DAERHOIBVMMZTK-FYWRMAATSA-N 280.671 2.531 10 1 CFCF O=C1c2scc(-c3ccc(O)c(O)c3O)c2-n2cccc21 29233615 LFOJINYUDAMZLE-UHFFFAOYSA-N 299.307 2.867 10 1 CFCF C[C@@H](O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586890544 KVJDEPZFCZWFRK-SNVBAGLBSA-N 283.331 2.861 10 1 CFCF COc1cc(/C=C\c2nc3cncc(C)c3[nH]2)cc(O)c1O 587786716 VXOPEXNPGYOODC-ARJAWSKDSA-N 297.314 2.857 10 1 CFCF COc1ccc(CCc2cc(O)c(O)c(OC)c2)cc1 14505372 QUSGGAWWVBQNLE-UHFFFAOYSA-N 274.316 2.900 10 1 CFCF Cc1ccc([C@H]2CNCCc3cc(O)c(O)cc32)cc1 26279348 WJMADXZTZHFLMN-OAHLLOKOSA-N 269.344 2.684 10 1 CFCF Nc1nc(O)nc(O)c1/N=N\c1cccc(Cl)c1 102677513 BEUPISRTEAFFTF-NXVVXOECSA-N 265.660 2.539 10 1 CFCF O=C(CN1CCCCC1)N=Nc1c(O)[nH]c2ccccc12 299813220 KVIIDNHJSMQFHM-UHFFFAOYSA-N 286.335 2.970 10 1 CFCF CC(=O)N[C@H](C)c1ccc(/N=N/N2CCCC2)cc1 6443280 ZEJVOSLKTIHYOO-QZAQEVDKSA-N 260.341 2.978 10 1 CFCF COc1ccc(N2CC[N+]3(CCCCC3)CC2)cc1 66077658 YSMVKFIWUNORHV-UHFFFAOYSA-N 261.389 2.516 10 1 CFCF Cc1nc2c(n1C(C)(C)C)C(=O)c1ccccc1C2=O 13216707 DXTMRWJYHMXGEX-UHFFFAOYSA-N 268.316 2.722 10 1 CFCF Oc1cc2c(c(F)c1O)CCNC[C@@H]2c1ccccc1 26386733 LXZIBTPIJYEOGH-CYBMUJFWSA-N 273.307 2.515 10 1 CFCF CCc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3OC[C@H]1NC2 73221136 LTFLUVRBXXHBMM-RDTXWAMCSA-N 297.354 2.656 10 1 CFCF Oc1ccc(-c2ncc(Br)s2)cc1O 473213490 NUCPGNOGGCIGAO-UHFFFAOYSA-N 272.123 2.984 10 1 CFCF Cc1cc2c(cc1O)-c1cc(O)cc(C)c1C(=O)C2=O 2356688977 UDTYWNVAJJQYPI-UHFFFAOYSA-N 268.268 2.761 10 1 CFCF CCOc1ccc2c(c1O)C(=O)c1ccccc1C2=O 238746385 MMHJCXUWEVLZQK-UHFFFAOYSA-N 268.268 2.566 10 1 CFCF CCCCCNCc1c(O)ccc2ccc(=O)oc12 13674209 YCMLTLCBBSPLTG-UHFFFAOYSA-N 261.321 2.778 10 1 CFCF COc1ccc2c(c1OC)C(=O)c1sccc1C2=O 26168373 NUVSEZHIZCUUBZ-UHFFFAOYSA-N 274.297 2.541 10 1 CFCF C[C@H](c1ccccc1)N1Cc2ccc(O)c(O)c2C1=O 45259528 GVZYXTWEFIFCIY-SNVBAGLBSA-N 269.300 2.815 10 1 CFCF O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)ccc1-2 169724870 CEFRPMTVZWILKJ-UHFFFAOYSA-N 270.240 2.528 10 1 CFCF COc1ccc(N[C@H](C)C(=O)O)c(C(=O)c2ccccc2)c1 52957227 PSBLQEGOUJASLK-LLVKDONJSA-N 299.326 2.811 10 1 CFCF COc1ccc(-c2c[nH]c3c2C(=O)c2[nH]ccc2C3=O)cc1 45316562 JAWJOTPAOYVNAC-UHFFFAOYSA-N 292.294 2.794 10 1 CFCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc(O)c1 95587549 AULCQUOBIWEAOD-QGZVFWFLSA-N 296.326 2.795 10 1 CFCF CN1Cc2ccccc2[C@H](c2ccc(O)c(O)c2)C1 29237456 UELZHBQLSGJAIC-AWEZNQCLSA-N 255.317 2.675 10 1 CFCF OC1=C[C]2OC(c3ccc(O)c(O)c3)=C(O)C=C2C=C1 2356858126 RHPVJYUYMOKSIY-UHFFFAOYSA-N 271.248 2.825 10 1 CFCF COc1ccc2c(c1)O[C@H](c1ccccc1OC)C(=O)C2=O 957811095 UCKAFPQDECXLDP-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF COc1ccc([C@H]2Oc3ccccc3C(=O)C2=O)c(OC)c1 957811121 WNXVQGMEKANUQX-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF COc1cc2c(c(O)c1OC)-c1cc(O)c(O)cc1CC2 14650742 AVGZHCUCFZQAMN-UHFFFAOYSA-N 288.299 2.586 10 1 CFCF CCOc1ccc2c(c1)c(N=NC(N)=S)c(O)n2C 377867595 URTRJAKXOYQRPX-UHFFFAOYSA-N 278.337 2.610 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)ccc(C)c2[C@H]2C=CC[C@H]21 64637990 JYBKENBNEKULNU-MISXGVKJSA-N 273.332 2.718 10 1 CFCF Oc1cc(O)cc(-c2cc3ccc(O)c(O)c3o2)c1 299866253 VOEMDQMSOKXQNY-UHFFFAOYSA-N 258.229 2.922 10 1 CFCF Oc1ccc2c(O)c3c4cc(O)ccc4cc[n+]3cc2c1 14779368 BIGFYFHKNLIONF-UHFFFAOYSA-O 278.287 2.849 10 1 CFCF COc1ccn2c3c(cc2c1)C(=O)c1ccccc1C3=O 82157947 MIASOFZSKIIHFW-UHFFFAOYSA-N 277.279 2.723 10 1 CFCF CCCc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O 14819794 XJZIVQGVSOVEOC-UHFFFAOYSA-N 298.294 2.531 10 1 CFCF CN(C)Cc1c(O)ccc2nc(-c3ccccc3)[nH]c12 84614467 NXOZYYDDIRJEFI-UHFFFAOYSA-N 267.332 2.997 10 1 CFCF CO[C@@](/C=C/O)(c1ccccc1)c1cc(O)cc(O)c1O 101574502 PLJIHJKJDWEQDJ-WAVCKPEOSA-N 288.299 2.765 10 1 CFCF CCCNC(=O)c1cc(CN(C)C)c(O)c(C(C)(C)C)c1 72170762 GRLALJCGXMOBRS-UHFFFAOYSA-N 292.423 2.891 10 1 CFCF CO[C@@](C=CO)(c1ccccc1)c1cc(O)cc(O)c1O 2356339554 PLJIHJKJDWEQDJ-INIZCTEOSA-N 288.299 2.765 10 1 CFCF O=C(O)c1cc2cc(O)c(O)cc2n1Cc1ccccc1 84759362 IWVQUUVAGPAIOO-UHFFFAOYSA-N 283.283 2.799 10 1 CFCF CN1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1-3 5966823 SYKWSIUDXOQIDR-CYBMUJFWSA-N 267.328 2.850 10 1 CFCF C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N(C)C 1857768645 CETKNFLDFYCZNG-VIFPVBQESA-N 269.300 2.678 10 1 CFCF Oc1ccc(/N=N\c2ccccc2-c2nn[nH]n2)c(O)c1 102376850 SRUNSHZEEZKOTP-PFONDFGASA-N 282.263 2.693 10 1 CFCF CC(=O)Oc1cc(-n2c(C)ccc2C)ccc1C(=O)O 219898943 UUHMEPFWEIWLIT-UHFFFAOYSA-N 273.288 2.718 10 1 CFCF Cc1ccc(C)n1-c1c(C(=O)O)cccc1[N+](=O)[O-] 219911569 FWCVIPFBTZJCAM-UHFFFAOYSA-N 260.249 2.701 10 1 CFCF CC(C)=CCc1c(C=O)cc(CC=C(C)CO)c(O)c1O 2356672010 SRNFRMCXSNGZTJ-UHFFFAOYSA-N 290.359 2.900 10 1 CFCF COc1cccc2c3c([nH]c12)C(=O)c1ccccc1C3=O 299826862 NTDIVMOXBVKTKS-UHFFFAOYSA-N 277.279 2.952 10 1 CFCF C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N(C)C 1857768642 CETKNFLDFYCZNG-SECBINFHSA-N 269.300 2.678 10 1 CFCF Cc1coc2cc(-c3cccc(O)c3O)oc(=O)c12 45365517 KNYBAPXTBMUZHA-UHFFFAOYSA-N 258.229 2.773 10 1 CFCF C[C@H]1CCCCN1/[N+]([O-])=N/OCc1ccc([N+](=O)[O-])cc1 96932938 SCRINHPFJUOWCN-KFZGLNKMSA-N 294.311 2.778 10 1 CFCF Nc1ccc(Oc2nc3ccccc3c3nncn23)cc1 1911571596 YBEDTUGEEXCSLL-UHFFFAOYSA-N 277.287 2.652 10 1 CFCF CC1(C)c2cccc3c2[C@@H](CNC3)c2ccc(O)c(O)c21 13479434 NHTSDWPOZRWTAX-LBPRGKRZSA-N 281.355 2.972 10 1 CFCF Oc1ccc(CNC23C[C@@H]4CC2C[C@H](C4)C3)c(O)c1 225185725 CJBAVYKDGZXWNS-BSROQFBASA-N 259.349 2.766 10 1 CFCF Cc1cc(C(=O)CCC(N)=O)c(C)n1-c1ccc(F)cc1 95614966 IUFWRPRMBNNROV-UHFFFAOYSA-N 288.322 2.681 10 1 CFCF O=C(c1ccc(O)cc1)c1cc2cc(O)c(O)cc2o1 653726355 BSFQUWNXTPQYDB-UHFFFAOYSA-N 270.240 2.781 10 1 CFCF Oc1ccc2c(c1O)Sc1cccc3c1[C@@H]2CNC3 13479427 BBDBLYVUGIMODC-SNVBAGLBSA-N 271.341 2.798 10 1 CFCF O=C(NCc1ccccc1)c1cc2ccc(O)c(O)c2cn1 6575044 WFCYIYIPAWTFSM-UHFFFAOYSA-N 294.310 2.576 10 1 CFCF CC(=O)N[C@@H](c1cc(F)c2cccnc2c1O)C1CC1 36388634 ZEHVZFOUJRAJHQ-CYBMUJFWSA-N 274.295 2.667 10 3 CFCF Oc1cc2c(cc1O)[C@@H](C1CCCCC1)CNCC2 13650240 SXGYBSIOYXDBIR-CQSZACIVSA-N 261.365 2.907 10 1 CFCF Cc1cc(O)n2nc(N)c(/N=N/c3ccccc3F)c2n1 101491087 OGYDIZMADSHSOF-ISLYRVAYSA-N 286.270 2.880 10 1 CFCF Nc1ccc(N2Cc3cc(OCCF)ccc3C2=O)cc1 40939554 HWGIFQUBEDKQEI-UHFFFAOYSA-N 286.306 2.778 10 1 CFCF CCCOC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 95555198 RXIANIHGGLQSNN-UHFFFAOYSA-N 284.267 2.622 10 1 CFCF COc1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1 53313068 XGWXPMUNGMSGIF-UHFFFAOYSA-N 271.364 2.877 10 1 CFCF COc1cc2c3c(c1)C(=O)c1ccccc1C3=NCC2 34283253 SMSXFIWLWPHHRL-UHFFFAOYSA-N 263.296 2.633 10 1 CFCF Oc1cc2c(cc1O)OC[C@@H](c1cccc(F)c1)C2 3824079 DBMCLHCIKJBATM-NSHDSACASA-N 260.264 2.956 10 1 CFCF O=C(/N=N/C(=O)NC1CCCCC1)NCc1ccncc1 28948520 HPLGNPLTBLAVIM-VHEBQXMUSA-N 289.339 2.786 10 1 CFCF Nc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1 13743553 IHRZQEYYPGNDJD-UHFFFAOYSA-N 273.295 2.937 10 1 CFCF Oc1[nH]c2ccccc2c1/N=N/C(=S)N1CCOCC1 18107350 VRTXSOMUJYNWQK-FOCLMDBBSA-N 290.348 2.574 10 1 CFCF O=C(O)c1ccccc1-c1cc2cc(O)c(O)cc2oc1=O 169309739 FUDCYDKUNNIFRK-UHFFFAOYSA-N 298.250 2.569 10 1 CFCF CC(C)C(=O)Nc1cccc(C(=O)C(=O)c2ccccn2)c1 66259896 AAZMMIHVCXFFNV-UHFFFAOYSA-N 296.326 2.742 10 1 CFCF CCCN1CCC[C@@H]2Cc3c(ccc(O)c3O)C[C@@H]21 38526136 HZPDHOOVQQYBJP-OCCSQVGLSA-N 261.365 2.687 10 1 CFCF Cc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1 169688890 QGSIARNBIQLLGD-VHEBQXMUSA-N 252.281 2.945 10 1 CFCF C[C@H]1CN(C(=O)c2sc3ccccc3c2O)C[C@@H](C)O1 1772607780 IUTWXCOYOMEZTQ-AOOOYVTPSA-N 291.372 2.856 10 1 CFCF O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)cc12 14807748 XADJWCRESPGUTB-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)c(O)cc12 2563666 NHPSEEFMOLEZQR-UHFFFAOYSA-N 298.250 2.600 10 1 CFCF biogenic O=c1oc2cc(O)c(O)cc2cc1-c1ccccc1 20162 WWTFLYLWPWKBJR-UHFFFAOYSA-N 254.241 2.871 10 1 CFCF COc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 2356729029 AOMAYOSPRMTXRK-UHFFFAOYSA-N 258.273 2.982 10 1 CFCF CCCCCc1cc(O)c([C@H]2CSCC(=O)N2)c(O)c1 2356284313 WTAMTFPFDQACFH-LLVKDONJSA-N 295.404 2.735 10 1 CFCF COc1cc(/C=C/c2nc3cccnc3[nH]2)cc(O)c1O 587786526 VCLLNHNJQLIJGS-SNAWJCMRSA-N 283.287 2.548 10 1 CFCF Oc1ccc(-c2c[nH]nc2-c2ccc(O)c(O)c2O)cc1 1857573346 BBTPIGXEZRJYEY-UHFFFAOYSA-N 284.271 2.566 10 1 CFCF CCCCNC1=NC(=O)/C(=C/c2ccc(O)cc2)S1 95561892 YQCSBWABFBPPQI-XFXZXTDPSA-N 276.361 2.752 10 1 CFCF COc1ccc([C@@H]2Oc3ccc(OC)cc3C(=O)C2=O)cc1 957811082 QVUBOGGZBCUMCN-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF Nc1c2ccccc2nc2c(C(=O)NC3CC3)cccc12 29481244 PUTSXGWLWDQPQK-UHFFFAOYSA-N 277.327 2.862 10 1 CFCF O=[N+]([O-])c1cc(-c2cc(-c3cccnc3)no2)cc(O)c1O 49069930 UGAOVPJQOUBYHW-UHFFFAOYSA-N 299.242 2.723 10 1 CFCF CC(C)CNC(=O)[C@H]1Nc2ccccc2[C@H]2C=CC[C@@H]12 15952382 ADXDMWLQQWGDOX-XPKDYRNWSA-N 270.376 2.913 10 1 CFCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 587404184 PARJGGQPTDWKML-HNNXBMFYSA-N 285.299 2.695 10 1 CFCF [N-]=[N+]=N[C@@H](CCN1CC[C@H](O)CCC1=O)c1ccccc1 15935343 AMUKDVSNGVSPMX-KGLIPLIRSA-N 288.351 2.802 10 3 CFCF N=C(NCCc1ccc(O)c(O)c1)C(Cl)(Cl)Cl 169323785 NEJRXBQQTHFCAW-UHFFFAOYSA-N 297.569 2.577 10 1 CFCF CC(=O)N[C@H](C)c1cc(Cl)c2cccnc2c1O 36380873 VXTBFUPMJZNGSF-SSDOTTSWSA-N 264.712 2.791 10 3 CFCF COc1ccc([C@H]2Oc3ccc(C)cc3C(=O)C2=O)cc1 957811127 ZAXIRPIFWPSVEE-QGZVFWFLSA-N 282.295 2.889 10 1 CFCF COc1ccc(C/N=N/c2cc(OC)ncn2)cc1 169688050 VYYPBEXDHXDDBI-WUKNDPDISA-N 258.281 2.778 10 1 CFCF COc1cccc2c1C(=O)C(=O)[C@@H](c1ccccc1)O2 197561537 FBRYSLJMIIWAGS-MRXNPFEDSA-N 268.268 2.581 10 1 CFCF COc1cc(/C=C\c2nc3cccnc3[nH]2)cc(O)c1O 587786524 VCLLNHNJQLIJGS-PLNGDYQASA-N 283.287 2.548 10 1 CFCF Cc1nc(C(=O)NC(C)C)c(-c2ccc(O)c(O)c2)s1 40980719 ZRXGQMHDSQJOCQ-UHFFFAOYSA-N 292.360 2.668 10 1 CFCF CCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 29230419 LCSJHBFENYTGQT-CQSZACIVSA-N 297.354 2.946 10 1 CFCF COc1cc(/C=C/c2nc3c(C)ccnc3[nH]2)cc(O)c1O 587786839 YHWZRZKINZVMJL-ONEGZZNKSA-N 297.314 2.857 10 1 CFCF Nc1ccc(OC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 49088468 KBDYFHAVKBISDZ-HNNXBMFYSA-N 284.315 2.673 10 1 CFCF O=C(/C=C/C=C/c1ccc(O)c(O)c1)N1CCCCC1 84596707 ZSGNXVFMAMFAQY-YPCIICBESA-N 273.332 2.680 10 1 CFCF Cn1cc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cn1 49113094 XWCDUTGVDLJAIR-DVOMOZLQSA-N 295.342 2.945 10 1 CFCF COc1ccc(C)c2c1C(=O)c1ccccc1C2=O 98085541 WYBJXCQINMNCRX-UHFFFAOYSA-N 252.269 2.779 10 1 CFCF COc1cc2c(cc1OC)-c1nccc(C)c1C2=O 13334963 RBIBQZUFRNYSOK-UHFFFAOYSA-N 255.273 2.619 10 1 CFCF Cc1c2c3c(c(O)c(O)c(C)c3oc1=O)[C@@H](C)CC2 13480675 MEVOLXMPECOSQM-LURJTMIESA-N 260.289 2.871 10 1 CFCF Cn1c(=O)cc(/N=N\c2ccc(Cl)c(Cl)c2)[nH]c1=O 17779781 VETFBHVSALSEBV-NXVVXOECSA-N 299.117 2.796 10 1 CFCF COc1cc(/C=C/c2nc3ccc(O)cc3[nH]2)cc(O)c1O 587786912 YNZIRVNIMJZBIV-GORDUTHDSA-N 298.298 2.859 10 1 CFCF CC1=CO[C@@H]2c3ccc4c(CO)cccc4c3C(=O)C(=O)[C@H]12 2356618788 IEVHREPFSZOLJR-KBXCAEBGSA-N 294.306 2.689 10 1 CFCF COc1ccc([C@H]2Oc3cc(OC)ccc3C(=O)C2=O)cc1 957811123 WXHCVLZATPSGAY-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF C/C(=C/CC[C@H](CO)c1cc2cc(O)c(O)cc2o1)CO 1857612822 WWYMCCWATZXJLO-LBQOUHFTSA-N 292.331 2.639 10 1 CFCF OCc1ccccc1NCc1cc2c(cc1O)CCCO2 28007058 UTJOIIZNEXXMPJ-UHFFFAOYSA-N 285.343 2.822 10 1 CFCF COc1ccc2c[nH]c(=NCc3ccccc3O)cc2c1 621430557 ZJXIDAVRECZBKG-UHFFFAOYSA-N 280.327 2.983 10 1 CFCF CCC[n+]1c2c(n(C(C)C)c1C)C(=O)c1ccccc1C2=O 1857620111 PVKFVSDSDYFRRY-UHFFFAOYSA-N 297.378 2.850 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1cccc(F)c1F 42920766 CVPRRUWIRIRRRM-UHFFFAOYSA-N 291.253 2.532 10 1 CFCF CCCN(CCC)C[C@@H]1OCc2c1ccc(O)c2O 29486395 AHORNFLGOWOREH-AWEZNQCLSA-N 265.353 2.791 10 1 CFCF O=C1c2ccccc2C(=O)c2sc(-c3ccccn3)nc21 34240096 MZILMHPXACEFDJ-UHFFFAOYSA-N 292.319 2.981 10 1 CFCF CNc1cc(NC)c2ncnc3c2c1C(=O)c1ccccc1-3 2471317 PQQRDFUZGZBXEY-UHFFFAOYSA-N 290.326 2.925 10 1 CFCF O=C(NC1CCC1)c1ccc(-c2ccc(O)c(O)c2)o1 40863090 RKEJNBGWCHCCCB-UHFFFAOYSA-N 273.288 2.640 10 1 CFCF Cc1ccc2c3c1Cc1c(ccc(O)c1O)[C@@H]3CNC2 13478201 TVOXNLCISKSFLL-AWEZNQCLSA-N 267.328 2.546 10 1 CFCF Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)NC=C3 101743050 MAJWJLNVJNLKJI-GFCCVEGCSA-N 251.285 2.936 10 1 CFCF O=C1c2ccccc2C(=O)c2c(-c3cccnc3)noc21 84669728 COJODIRRQIRTGL-UHFFFAOYSA-N 276.251 2.512 10 1 CFCF Oc1cc([C@@H]2CCc3c(O)cccc3O2)cc(O)c1O 1857760906 XPPWRFKWEKXOGT-ZDUSSCGKSA-N 274.272 2.575 10 1 CFCF CCCNCCCCCCN(CCC)/[N+]([O-])=N/O 27560090 VUVMLIDIAIBIDX-PEZBUJJGSA-N 260.382 2.525 10 1 CFCF O=C(O)[C@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]12 2463162 REGZZMYIDMVSBE-PTRXPTGYSA-N 294.148 2.988 10 1 CFCF CCCN1CCC[C@H]2Cc3c(ccc(O)c3O)C[C@@H]21 38526135 HZPDHOOVQQYBJP-JSGCOSHPSA-N 261.365 2.687 10 1 CFCF CN(CCO)c1ccc(-c2nc3ccccc3[nH]2)cc1 587193028 PVABTKVJTYSRBS-UHFFFAOYSA-N 267.332 2.658 10 1 CFCF CC(C)c1n[nH]c2c(NCc3ccccc3O)ncnc12 13538203 ZMLXUURZINLKCX-UHFFFAOYSA-N 283.335 2.794 10 1 CFCF Cc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccc3c(c1)OCO3)O2 957816885 VWEYWLVWOMSKQL-QGZVFWFLSA-N 296.278 2.609 10 1 CFCF O=C1c2ncccc2C(=O)c2c(-c3ccccc3)nsc21 1911582222 PCXMQYPDBYNPBI-UHFFFAOYSA-N 292.319 2.981 10 1 CFCF CCn1cc(C=C2C(=O)OC(C)(C)OC2=O)c2ccccc21 96929791 KBZYAHFXSXHHOO-UHFFFAOYSA-N 299.326 2.881 10 1 CFCF O=C1C(c2ccccc2Cl)=S=C2C=CC=CN12 377806012 WKXHSNWTCUJBSL-UHFFFAOYSA-N 261.733 2.649 10 1 CFCF COc1cc2c3c(c1)O[C@@H](CCCN=[N+]=[N-])[C@@H](C2)C3=O 587433039 MJACLHAPKDRHHV-MNOVXSKESA-N 273.292 2.902 10 1 CFCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@H](C)CC2=O 59066962 NHXUWASKMTXOKF-QMMMGPOBSA-N 290.315 2.742 10 1 CFCF in-vitro Oc1cc(O)c2cc(-c3cc(O)c(O)c(O)c3)oc2c1 116981086 KVFHNKSIDPYFCC-UHFFFAOYSA-N 274.228 2.628 10 1 CFCF CC1(C)CC[C@]23C[C@]2(O1)C(=O)c1ccccc1C3=O 103000084 HMIMFARHABPIQA-CVEARBPZSA-N 256.301 2.784 10 1 CFCF Oc1ccc2c(c1O)CC[C@@H](NCc1ccccc1)C2 13604048 CVDKFLYPLGVMEO-CQSZACIVSA-N 269.344 2.745 10 1 CFCF N[C@H]1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 26972710 RMBSJLJLHHNREK-XJKSGUPXSA-N 255.317 2.503 10 1 CFCF O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)cc(O)c1O 49066940 MJLGLBOHZUPUSD-UHFFFAOYSA-N 299.242 2.723 10 1 CFCF COc1cc2c(c(OC)c1)-c1c(ccc(O)c1O)CC2 14650959 UADSBTFHWGKGHK-UHFFFAOYSA-N 272.300 2.881 10 1 CFCF Oc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1O 22298814 KXOXSTSZORACEG-UHFFFAOYSA-N 268.272 2.861 10 1 CFCF COc1cc2c3c(c1)O[C@@H](c1cccc(O)c1O)[C@@H](C2)C3=O 587448498 CVOPQWYQIKRHMU-GTNSWQLSSA-N 298.294 2.595 10 1 CFCF CC1(C)OC(=O)C(/N=N/c2ccc(C(=O)O)cc2)=C(O)O1 17527728 NGPUKFKCFGFBGO-CCEZHUSRSA-N 292.247 2.505 10 1 CFCF COc1cc(/C=C/c2nc3ccc(C)nc3[nH]2)cc(O)c1O 587784946 FWXYICHVEGCVPG-GQCTYLIASA-N 297.314 2.857 10 1 CFCF COc1cc(OC)c2c(c1)C(=O)c1sccc1C2=O 26167962 UPUXHZIRJHRCIP-UHFFFAOYSA-N 274.297 2.541 10 1 CFCF O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2cn1 6575437 SYDQSDKPIPVKLH-UHFFFAOYSA-N 280.283 2.898 10 1 CFCF COc1ccc(N2Cc3c(O)cc(OC)c(C)c3C2=O)cc1 28950813 FIKJEENAELEGAS-UHFFFAOYSA-N 299.326 2.878 10 1 CFCF CC(C)(C)C(=O)Cc1nc2cc(Cl)ccc2oc1=O 13125521 PAGOEFKSIGOYFT-UHFFFAOYSA-N 279.723 2.999 10 1 CFCF COc1cc(O)cc(C=Cc2cccc(O)c2O)c1 2356782526 FLVGCCAMNYCNKH-UHFFFAOYSA-N 258.273 2.982 10 1 CFCF COc1ccccc1[C@H]1Oc2ccccc2C(=O)C1=O 957811051 LUOGYHCZSBZDSM-MRXNPFEDSA-N 268.268 2.581 10 1 CFCF O=C1c2ccccc2C(=O)c2sc(-c3nnco3)cc21 1772570918 PJAPEVNRLJCYQY-UHFFFAOYSA-N 282.280 2.574 10 1 CFCF CC(=O)c1csc2c1C(=O)c1ccccc1C2=O 1653607 OGTQKTFODXNYJH-UHFFFAOYSA-N 256.282 2.726 10 1 CFCF COc1cc(/C=C\c2nc3c(C)nccc3[nH]2)cc(O)c1O 587786018 REIPUQDIRDLQGR-ARJAWSKDSA-N 297.314 2.857 10 1 CFCF O=c1oc2cc(O)ccc2c2oc3cc(O)c(O)cc3c12 14778684 QDAPIVLPJVTIAZ-UHFFFAOYSA-N 284.223 2.809 10 1 CFCF O=c1oc2ccc(O)cc2cc1-c1ccc(O)c(O)c1 28645017 DGMLNAIZFZTEAP-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF CCN(CC)Cc1cc(N=c2ccn(C)cc2)ccc1O 43075550 WGHLDJQGZQGPNY-UHFFFAOYSA-N 285.391 2.805 10 1 CFCF Cc1c(O)c(O)cc2c1[C@@H](c1ccccc1)CNCC2 26270932 ZPUCAOUBWPKYTB-CQSZACIVSA-N 269.344 2.684 10 1 CFCF [N-]=[N+]=NCCCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587260079 NIYHMLZEYOSDFL-UHFFFAOYSA-N 294.750 2.784 10 1 CFCF CC(=O)c1cc2c(s1)C(=O)c1sccc1C2=O 17529 TYNBBESGBCIKHW-UHFFFAOYSA-N 262.311 2.788 10 1 CFCF Cc1cc(C)c2c(c1)C(=O)c1cccc(O)c1C2=O 85648509 VFBDSWWXBPKGSV-UHFFFAOYSA-N 252.269 2.784 10 1 CFCF biogenic,in-vitro Oc1ccc2c(c1)OC[C@@H](c1ccc(O)c(O)c1)C2 14811606 BXUZHRKORIBRMQ-NSHDSACASA-N 258.273 2.522 10 1 CFCF endogenous,in-man CC1=CO[C@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCC[C@@]4(C)O 238768654 FRTCZULBZBTNEE-DOPJRALCSA-N 298.338 2.587 10 1 CFCF CCCCc1c(O)cc(C(=O)CCC[C@@H](C)O)c(O)c1O 2356851046 QDOPEULWEKAUSP-SNVBAGLBSA-N 296.363 2.880 10 1 CFCF Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1 36389231 BSXRJIBWLOPQGM-UHFFFAOYSA-N 282.299 2.639 10 3 CFCF COc1cc(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 238755223 HIMJIPRMECETLJ-UHFFFAOYSA-N 284.267 2.880 10 1 CFCF Cc1ccc(O)c([C@@]2(C)NCCc3nc4ccccn4c32)c1 962983092 AMNCHRJRQHLIGZ-GOSISDBHSA-N 293.370 2.758 10 1 CFCF c1ccc2c(c1)c1c(n2CCCN2CCCC2)CNCC1 1857580829 IZEZTCLUXKRYOO-UHFFFAOYSA-N 283.419 2.773 10 1 CFCF C[C@@H]1c2cccc3c2[C@@H](CNC3)c2ccc(O)c(O)c21 13479432 HQWKOCKQSDIRSK-RNCFNFMXSA-N 267.328 2.798 10 1 CFCF O[C]1C=C(O)C=C2OC(c3ccc(O)c(O)c3)=C(O)C=C12 2356339027 GFZJRQMBETXFQO-UHFFFAOYSA-N 287.247 2.525 10 1 CFCF C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(O)c(O)c1C2 29214773 VAILYFAOXZKZDO-NABSQDKSSA-N 257.333 2.720 10 1 CFCF C[C@@H]1Cc2cc(O)c(O)cc2[C@H]2c3ccccc3CN[C@@H]21 72104596 GWUDMGMAIKWWRG-AQQIJUCISA-N 281.355 2.894 10 1 CFCF O=C1C(=O)c2c(nc3ccc(F)cn23)-c2ccccc21 139804147 WGOZXDBBEDUYLW-UHFFFAOYSA-N 266.231 2.519 10 1 CFCF COc1ccc2c(c1)O[C@@H]1c3ccc(O)c(O)c3OC[C@H]21 14820481 YRFDJOAWSXSLMG-IAQYHMDHSA-N 286.283 2.716 10 1 CFCF endogenous,in-man Cc1ccc(Cn2cc(-c3ccc(O)c(O)c3)nn2)cc1 473132444 SOCNHQHJLOLSKI-UHFFFAOYSA-N 281.315 2.713 10 1 CFCF C[C@@H](c1ccc(F)cc1)N1Cc2ccc(O)c(O)c2C1=O 45246024 JZZNHBULSIGYTO-VIFPVBQESA-N 287.290 2.954 10 1 CFCF Cc1c(O)cc(C(=O)Cc2ccc(O)c(O)c2)c(O)c1C 64573204 ZAWVFIFFHANAFW-UHFFFAOYSA-N 288.299 2.551 10 1 CFCF OC1=Cc2c(cc(O)c(O)c2O)O[C@H]1c1ccc(O)cc1 2356849958 PZAIUZDIAKTCRV-HNNXBMFYSA-N 288.255 2.542 10 1 CFCF Cc1ccnc2c1CCN[C@]2(C)c1c(O)cccc1F 963075447 SBYZSGRVKNDRBM-MRXNPFEDSA-N 272.323 2.644 10 1 CFCF O=c1cc(-c2ccccc2)[nH]c2c(O)c(O)ccc12 72109771 QHGCZPZUWMQJHA-UHFFFAOYSA-N 253.257 2.606 10 1 CFCF COc1cc(/C=C\c2nc3cnccc3[nH]2)cc(O)c1O 587786458 UHWONFOABCPQTP-IHWYPQMZSA-N 283.287 2.548 10 1 CFCF CN1Cc2ccccc2[C@@H](c2ccc(O)c(O)c2)C1 29237462 UELZHBQLSGJAIC-CQSZACIVSA-N 255.317 2.675 10 1 CFCF O=C1NC(=S)S/C1=C\c1ccc2ncsc2c1 653725053 TWNKLQGDXMYCCB-WTKPLQERSA-N 278.383 2.785 10 1 CFCF O=C1C[C@@H](c2ccc(O)c(O)c2)c2ccccc2N1 1857559473 RPJZWHXLMDHGMI-NSHDSACASA-N 255.273 2.572 10 1 CFCF O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(O)c(O)c1 40899689 ZXJFZSBPAUJZNO-UHFFFAOYSA-N 287.359 2.796 10 1 CFCF CC(C)C(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 95557069 ZPZYWPOACAQZFK-UHFFFAOYSA-N 268.268 2.894 10 1 CFCF Oc1ccc(CCCNCCc2ccc(O)c(O)c2)cc1 169319556 IZPNGLWTLOPYPB-UHFFFAOYSA-N 287.359 2.568 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)ccc(C)c2[C@@H]2C=CC[C@H]12 169297614 JYBKENBNEKULNU-UHIISALHSA-N 273.332 2.718 10 1 CFCF Cc1cc(O)n2nc(N)c(/N=N\c3ccccc3F)c2n1 102701647 OGYDIZMADSHSOF-ZCXUNETKSA-N 286.270 2.880 10 1 CFCF CC(=O)N[C@@H](C)c1ccc(/N=N/N2CCCC2)cc1 1649933 ZEJVOSLKTIHYOO-JCNXWTJJSA-N 260.341 2.978 10 1 CFCF CC(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O 28241206 BRZQKAQJNNPQAA-UHFFFAOYSA-N 280.279 2.525 10 1 CFCF O=c1c(-c2ccc(O)c(O)c2)coc2ccccc12 49110734 JGEXBQSHBMXCHX-UHFFFAOYSA-N 254.241 2.871 10 1 CFCF in-vitro Oc1cc2c(cc1O)[C@@H]1c3ccsc3CN[C@H]1CC2 13762022 UUGICWXWTLQAGO-NHYWBVRUSA-N 273.357 2.709 10 1 CFCF Oc1ccc([C@H]2CCc3ccc(O)c(O)c3O2)cc1O 2356416539 XATMPCSHWAORNA-CYBMUJFWSA-N 274.272 2.575 10 1 CFCF Oc1ccccc1CN1CCCC[C@]1(O)c1cccnc1 96922418 BBKITNAKQHKIJO-KRWDZBQOSA-N 284.359 2.618 10 1 CFCF O=C1c2ccncc2C(=O)c2c1[nH]c1ccc(Cl)cc21 1857634485 YKCXGCGUSWQRLV-UHFFFAOYSA-N 282.686 2.992 10 1 CFCF O=C1Oc2ccccc2/C1=C\c1ccc(O)c(O)c1 28523193 QJFSICSKRKTIQM-YRNVUSSQSA-N 254.241 2.557 10 1 CFCF CC(=CCC[C@@H](CO)c1cc2cc(O)c(O)cc2o1)CO 2356867865 WWYMCCWATZXJLO-NSHDSACASA-N 292.331 2.639 10 1 CFCF C[C@H](c1ccc(F)cc1)N1Cc2ccc(O)c(O)c2C1=O 45320690 JZZNHBULSIGYTO-SECBINFHSA-N 287.290 2.954 10 1 CFCF Oc1ccc2c(c1)OC[C@H](c1ccc(O)c(O)c1)C2 14811604 BXUZHRKORIBRMQ-LLVKDONJSA-N 258.273 2.522 10 1 CFCF endogenous,in-man Cc1ccc(C2=NC(=O)/C(=C/c3ncc[nH]3)S2)cc1 299829657 HVBIMCPPRSCAND-FLIBITNWSA-N 269.329 2.779 10 1 CFCF CCN[C@H](C)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857767966 WXMQBSFHSCLZIN-SECBINFHSA-N 269.300 2.726 10 1 CFCF [N-]=[N+]=NCC1=NO[C@@H](c2ccc(N3CCOCC3)cc2)C1 40916139 ZDWHNXUVGJNGPD-CQSZACIVSA-N 287.323 2.651 10 1 CFCF O=C1c2ccccc2C(=O)c2c1cccc2-c1cn[nH]c1 1857556579 ODFHPQQKXNFZKM-UHFFFAOYSA-N 274.279 2.852 10 1 CFCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@H](C)CC2=O 100195575 NHXUWASKMTXOKF-MRVPVSSYSA-N 290.315 2.742 10 1 CFCF in-vitro O=[N+]([O-])c1cc(CCc2ccccc2)cc(O)c1O 27751025 IBRPLCDXFQUDAU-UHFFFAOYSA-N 259.261 2.791 10 1 CFCF OC1=Cc2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1 2356825985 HHFAUYYAKPPCCS-HNNXBMFYSA-N 272.256 2.836 10 1 CFCF O=C(O)/C(=C\c1cccc(O)c1O)c1ccccc1 103174273 HVWOBICWAVJFIV-XFXZXTDPSA-N 256.257 2.723 10 1 CFCF COc1cc(C2C(=O)c3ccccc3C2=O)ccc1O 101771634 ZIRRXRUAOFLWMK-UHFFFAOYSA-N 268.268 2.564 10 3 CFCF COC(=O)/C=C/c1ccc(NCc2cccc(O)c2O)cc1 653857494 IJEOIVPALFCJCK-JXMROGBWSA-N 299.326 2.896 10 1 CFCF COc1ccc2c(c1)CC=C(CO)c1cc(O)c(O)cc1-2 238758765 KNVBAXXBALZGAJ-UHFFFAOYSA-N 284.311 2.705 10 1 CFCF COc1cc(-c2c(O)c(O)cc3c2COCC3)ccc1O 95617919 NTXDKLARYKJXCA-UHFFFAOYSA-N 288.299 2.552 10 1 CFCF endogenous,in-man Oc1cc(-c2ccc(Cn3ccnc3)cc2)cc(O)c1O 14946283 YJSZROISVPCSCZ-UHFFFAOYSA-N 282.299 2.715 10 1 CFCF O=C(CN1CCCCC1)/N=N\c1c(O)[nH]c2ccccc12 84921225 KVIIDNHJSMQFHM-ZCXUNETKSA-N 286.335 2.970 10 1 CFCF CC(=O)c1ccc([C@]23O[C@@H]2C(=O)c2ccccc2C3=O)cc1 169327671 FUHNSNQJAOVDNA-QZTJIDSGSA-N 292.290 2.563 10 1 CFCF CCN(CCO)c1ccc(/C=C\c2cc[n+](C)cc2)cc1 33751499 QQKFFVWSQCCMKN-UHFFFAOYSA-N 283.395 2.500 10 1 CFCF O=c1ccc2cc(O)c(-c3ccc(O)c(O)c3)oc-2c1 39044299 NJTVXHKKIMDBDS-UHFFFAOYSA-N 270.240 2.528 10 1 CFCF Fc1cccc(C/N=N/c2ncnc3nc[nH]c23)c1 169690654 IBCXBSBZONVQHQ-VHEBQXMUSA-N 256.244 2.776 10 1 CFCF Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@H]1CC2 13762002 YWMQJPWBNVVTRC-FZMZJTMJSA-N 273.357 2.709 10 1 CFCF O=c1cc(Cc2ccc(O)c(O)c2)oc2cc(O)ccc12 13797584 AERADEZJMNEWMZ-UHFFFAOYSA-N 284.267 2.501 10 1 CFCF in-vivo COc1cc(/C=C/c2nc3c(C)nccc3[nH]2)cc(O)c1O 587786019 REIPUQDIRDLQGR-ONEGZZNKSA-N 297.314 2.857 10 1 CFCF CC(C)CNC(=O)[C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21 61691663 ADXDMWLQQWGDOX-IVMMDQJWSA-N 270.376 2.913 10 3 CFCF CCc1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 15204908 WAOQXIBRHPXACZ-UHFFFAOYSA-N 282.295 2.744 10 1 CFCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O)c1O)O2 587405996 ZVXYLENLSOUSFU-AWEZNQCLSA-N 285.299 2.695 10 1 CFCF CC(C)c1cc2c(cc1O)C(=O)c1cc(O)cc(O)c1C2=O 1772632677 ZFEJWNLAYQSQIG-UHFFFAOYSA-N 298.294 2.702 10 1 CFCF O=C1c2ccccc2C(=O)c2c1oc(=O)c1ccccc21 1659398 NMRZDDJVDUKASA-UHFFFAOYSA-N 276.247 2.568 10 1 CFCF NC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(O)c2O 3787670 BOKASTZDGGZFET-GJZGRUSLSA-N 277.364 2.619 10 1 CFCF in-vivo COc1ccc2c(c1)C(=O)[C@H]1O[C@H](C)C(C)(C)[C@@H]1C2=O 102824388 AWHRZPYMXDYJBL-ICDUWSABSA-N 274.316 2.504 10 1 CFCF CCOC(=O)c1[nH]c2ccccc2c1/N=N\N(C)C 295583 DMDLMTDOGVTQTA-NXVVXOECSA-N 260.297 2.905 10 1 CFCF CN(/N=N/c1ccc(C(N)=O)cc1)c1cccs1 169323191 CUCRPQHZZGESFJ-CCEZHUSRSA-N 260.322 2.982 10 1 CFCF COc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccccc1OC)O2 957811061 NSOGNKABODDEIT-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF C[C@H](NC(=O)/C(O)=C/c1ccc(O)c(O)c1)c1ccccc1 64548480 LACWEESZLLFRHK-OKHBPPCESA-N 299.326 2.874 10 1 CFCF Oc1cccc(C/N=N/c2ccc(Cl)nn2)c1O 169689679 QLZWFEXWQMNQDX-FYWRMAATSA-N 264.672 2.825 10 1 CFCF COc1ccc2c(c1)C(=O)c1c-2ncc(OC)c1C 238743363 GAXRUNHLAZSQQN-UHFFFAOYSA-N 255.273 2.619 10 1 CFCF Cc1ccc(C)n1-c1ccc(C(=O)O)c([N+](=O)[O-])c1 219894089 SSTBGPLKFZUCNQ-UHFFFAOYSA-N 260.249 2.701 10 1 CFCF CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45353739 ADOUNJBEKVZHQH-UHFFFAOYSA-N 276.295 2.901 10 1 CFCF in-vivo Cc1noc(O)c1N=Nc1ccc(Cl)c(C(N)=O)c1 617978364 VMDITCOJGWBKID-UHFFFAOYSA-N 280.671 2.856 10 1 CFCF CC(=O)c1cc2c(s1)C(=O)c1ccsc1C2=O 1648661 MMYDGBHMGKVWDF-UHFFFAOYSA-N 262.311 2.788 10 1 CFCF [N-]=[N+]=NCCCCCCc1nc2cc[nH]c(=N)c2[nH]1 587260280 PTEZMOXUEYMRFX-UHFFFAOYSA-N 259.317 2.784 10 1 CFCF Cc1ccc2c(n1)C(=O)c1cc(C)c(C)cc1C2=O 1646972 ABDUPWLTOIFNIS-UHFFFAOYSA-N 251.285 2.782 10 1 CFCF O=C1Nc2cc3c(O)c(O)ccc3c3c4c(cc1c23)OCO4 45394547 HFKRLWMLZBJSAQ-UHFFFAOYSA-N 295.250 2.699 10 1 CFCF Oc1ccc(C2=Cc3cc(O)c(O)cc3CC2)cc1O 85569243 HWWSFZWMSGIFCG-UHFFFAOYSA-N 270.284 2.996 10 1 CFCF biogenic,in-vitro CN(C)c1ccc(/C=C2\C(=O)Nc3ncccc32)cc1 203752499 IMGMXGSYHAJNFZ-UVTDQMKNSA-N 265.316 2.640 10 1 CFCF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c(O)c(O)ccc12 40977037 VIKZHIZYENCPDW-UHFFFAOYSA-N 299.238 2.779 10 1 CFCF Nc1n[nH]c(N)c1/N=N/c1cccc2c1CCCC2 40568403 NYJNCMKWSNJZSM-WUKNDPDISA-N 256.313 2.868 10 1 CFCF O=c1oc2c(O)c(O)ccc2cc1-c1ccccc1O 1772638060 QTMLDXTVZUZOPC-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF O=c1oc2c(O)c(O)ccc2cc1-c1cccc(O)c1 1772603771 QKIUUMJSCHRVFA-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF O=c1cc(-c2ccc(O)c(O)c2)c2ccc(O)cc2o1 13340698 ALEFPQLBPWJUOQ-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)cc(C)cc2[C@@H]2C=CC[C@@H]12 195411443 VUZIVQROVMBFPJ-UEKVPHQBSA-N 273.332 2.718 10 1 CFCF COc1ccc2c(c1)O[C@@H](c1ccccc1OC)C(=O)C2=O 957811094 UCKAFPQDECXLDP-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF CCNC1(c2ccccc2)C(=O)c2ccccc2C1=O 36047299 MNVRCQNJKIPRCD-UHFFFAOYSA-N 265.312 2.571 10 1 CFCF NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 6581921 IHHBCUGJDXJTSW-AWEZNQCLSA-N 297.383 2.787 10 1 CFCF O=C(O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653696870 OSTALYTUBJBTGQ-UHFFFAOYSA-N 292.699 2.875 10 1 CFCF CCCN1CCC(=O)N([C@H](CN=[N+]=[N-])CC(C)C)CC1 12474776 OOXDDVAKQBWCNY-ZDUSSCGKSA-N 281.404 2.656 10 3 CFCF CCCCCc1cc(O)cc(O)c1[C@@H]1CCC(=O)N1 2356283934 HDXUJCIVHUINAQ-LBPRGKRZSA-N 263.337 2.782 10 1 CFCF Oc1cc(O)cc(-c2cc3cc(O)c(O)cc3o2)c1 13340101 FDARKUSEVNCTHK-UHFFFAOYSA-N 258.229 2.922 10 1 CFCF endogenous,in-man CC(C)/[N+](C[C@@H](O)COc1cccc2ccccc12)=N/O 27523904 TXYRHXNLIUKPMM-CQSZACIVSA-O 289.355 2.842 10 1 CFCF Nc1ncc(-c2ccc(O)c(O)c2)c(-c2ccccc2)n1 1772649074 QMWYYSGDEGNNOR-UHFFFAOYSA-N 279.299 2.804 10 1 CFCF NC[C@@H]1O[C@H](CCc2ccccc2)Cc2c1ccc(O)c2O 13823809 KIARRRIAGXQGBT-DYVFJYSZSA-N 299.370 2.672 10 1 CFCF Cc1cnc(NC(=O)CCCOc2ccc(N)cc2)s1 1857565514 WTMSPNDVXDSSGO-UHFFFAOYSA-N 291.376 2.831 10 1 CFCF CC[n+]1c2c(n(CC(C)C)c1C)C(=O)c1ccccc1C2=O 1857603298 HUKFJMTVOOFXQX-UHFFFAOYSA-N 297.378 2.535 10 1 CFCF O=C(/C=C/c1ccc(O)c(O)c1)Oc1ccccc1 1861767 LDBPIZIYTBIRPM-VQHVLOKHSA-N 256.257 2.717 10 1 CFCF N=C(N)SCc1ccc2c(c1)C(=O)c1ccccc1C2=O 138904347 SKGDUVACJBEIHK-UHFFFAOYSA-N 296.351 2.589 10 1 CFCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(F)ccc12 84758899 OLGKVFXSZSXZRI-UHFFFAOYSA-N 288.230 2.716 10 1 CFCF CC1=CO[C@@H]2c3ccc4c(CO)cccc4c3C(=O)C(=O)[C@@H]12 2356618790 IEVHREPFSZOLJR-RDTXWAMCSA-N 294.306 2.689 10 1 CFCF Cc1cccc2c1CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 89464521 LYRRSOZNQRVMQC-YJBOKZPZSA-N 281.355 2.956 10 1 CFCF COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1O 14758729 OPRVJOGZFPVPRP-JTQLQIEISA-N 288.299 2.531 10 1 CFCF O=C1Nc2cc3c(O)cccc3c3c(O)c(O)cc1c23 14779285 JOYOVHWMCSTSRJ-UHFFFAOYSA-N 267.240 2.676 10 1 CFCF O=C1c2ccccc2C(=O)c2c1cnc1c2CCCC1 169307046 SVXDVTYBADQJHF-UHFFFAOYSA-N 263.296 2.736 10 1 CFCF Nc1ccc(OC[C@H]2CN(c3ccccc3)C(=O)O2)cc1 49088467 KBDYFHAVKBISDZ-OAHLLOKOSA-N 284.315 2.673 10 1 CFCF Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@@H]1CC2 13762020 YWMQJPWBNVVTRC-RISCZKNCSA-N 273.357 2.709 10 1 CFCF O=C1C2=Cc3ccccc3OCC2=NN1c1ccccc1 103257032 WAMBJZPYFOXZKN-UHFFFAOYSA-N 276.295 2.865 10 1 CFCF COc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)CC2=O 14806304 HBRZHLWALXQHQA-OAHLLOKOSA-N 286.283 2.813 10 1 CFCF COc1cc(O)c2c(c1C)C(=O)N1c3ccccc3CO[C@H]21 28951023 VZWNXUDVLHGXMB-QGZVFWFLSA-N 297.310 2.898 10 1 CFCF CN1CCc2c(ccc(CN3CCCCCC3)c2O)C1 26473410 CGYFYYARKSNEGH-UHFFFAOYSA-N 274.408 2.756 10 1 CFCF C=CC=CC=Cc1cccc(C(CO)CO)c1C(=O)N=N 2356704136 HYIIDAABDYGOAY-UHFFFAOYSA-N 286.331 2.681 10 1 CFCF Oc1ccc(-c2cc(/C=C3/CN4CCC3CC4)on2)cc1O 26673210 SYGSVYHTPYEUDG-QPEQYQDCSA-N 298.342 2.862 10 1 CFCF COc1cc(O)c2c(c1)CCc1c(O)c(O)cc(OC)c1-2 238747790 YCSHIEQXVSJONE-UHFFFAOYSA-N 288.299 2.586 10 1 CFCF CC(=O)c1ccc2c(c1)C(=O)c1scc(C(C)=O)c1C2=O 26671046 CGWSBFJKOUGHDD-UHFFFAOYSA-N 298.319 2.929 10 1 CFCF CC(C)CNC(=O)[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]12 61691661 ADXDMWLQQWGDOX-INWMFGNUSA-N 270.376 2.913 10 1 CFCF COc1cc(O)cc(CCc2ccc(O)c(O)c2)c1 238735304 XDHPAQIZOIVINE-UHFFFAOYSA-N 260.289 2.597 10 1 CFCF O=C(/C=C/c1ccccc1)OCCc1ccc(O)c(O)c1 1857746831 WZWPQMXKWLPONX-VQHVLOKHSA-N 284.311 2.897 10 1 CFCF COc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1 96829760 FWQAUIPLDHTNCB-HNNXBMFYSA-N 285.343 2.536 10 1 CFCF O=C(Nc1ccccc1)c1cc2ccc(O)c(O)c2cn1 6575438 LRBIUVIHDLIKSO-UHFFFAOYSA-N 280.283 2.898 10 1 CFCF Cc1c(O)c(O)c(C)c2c1CCNC[C@H]2c1ccc(O)cc1 26386088 OFXOOYCABAVYOH-HNNXBMFYSA-N 299.370 2.698 10 1 CFCF COc1ccc2c(c1)OC[C@H]1c3cc(O)c(O)cc3O[C@@H]21 1618129 PBVGYVJIVLAMFY-ZBEGNZNMSA-N 286.283 2.716 10 1 CFCF biogenic COc1cccc2c1C(=O)c1ccc(C)c(OC)c1C2=O 13334393 OONULHLRRAVWOC-UHFFFAOYSA-N 282.295 2.788 10 1 CFCF COc1ccc(C(=O)c2ccccc2N[C@@H](C)C(=O)O)cc1 53084127 MIHIRDIMBRBBMV-NSHDSACASA-N 299.326 2.811 10 1 CFCF Cc1ccccc1C/N=N/c1ncnc2nc[nH]c12 169690694 LMGBYRHGHISITP-VHEBQXMUSA-N 252.281 2.945 10 1 CFCF Oc1ccc(-c2cc(-c3c(O)cccc3O)n[nH]2)cc1O 473095746 XQBDGOIVZGLYPT-UHFFFAOYSA-N 284.271 2.566 10 1 CFCF COc1cc(OC)c2c(c1)O[C@H](c1ccccc1)C(=O)C2=O 957811005 CHOGOCWBBMOPIQ-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF CCC(=O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299832518 IELOVPYZKHLEAZ-UHFFFAOYSA-N 286.308 2.822 10 1 CFCF CC1(C)OC(=O)C(/N=N\c2ccc(C(=O)O)cc2)=C(O)O1 102699221 NGPUKFKCFGFBGO-PFONDFGASA-N 292.247 2.505 10 1 CFCF CCCC(=O)Nc1cccc(C(=O)C(=O)c2ccccn2)c1 66252670 OQTHRTWHFGSCSS-UHFFFAOYSA-N 296.326 2.886 10 1 CFCF CN(C)CCCNc1c2ccccc2[n+]([O-])c2ccccc12 31853340 BOEYYDYUAJJQSZ-UHFFFAOYSA-N 295.386 2.990 10 1 CFCF O=C1NC(=S)/C(=C/c2ccccc2C(=O)O)S1 95552321 MTSFYNDTJVHSSQ-YVMONPNESA-N 265.315 2.510 10 1 CFCF O=C1O[C@@H](c2cccc(O)c2O)C(c2ccccc2)=C1O 9224 GNBRVUWTVSTLQZ-HNNXBMFYSA-N 284.267 2.665 10 1 CFCF CCCCCCNC(=O)CCc1ccc(O)c(O)c1 2011780 QGGLLPNYIBKEIP-UHFFFAOYSA-N 265.353 2.727 10 1 CFCF COc1ccc(CCc2ccc(O)c(O)c2)cc1OC 64448739 CXWVVZKYYXBRDD-UHFFFAOYSA-N 274.316 2.900 10 1 CFCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccccc1 43079242 AZYKUNKWAWEMPI-MRXNPFEDSA-N 296.326 2.795 10 1 CFCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O)c1O)O2 587405997 ZVXYLENLSOUSFU-CQSZACIVSA-N 285.299 2.695 10 1 CFCF O=C(O)c1ccc(/N=[N+](\[O-])c2ccc(CO)cc2)cc1 6092897 DMYQJTAVDSDDCV-NXVVXOECSA-N 272.260 2.803 10 1 CFCF COc1ccc([C@@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1 14806647 ONKIXTJNUUWOHL-AWEZNQCLSA-N 286.283 2.813 10 1 CFCF O=C1c2ccccc2C(=O)c2c(-c3ccncc3)noc21 84704657 IMPHIMFYNYZESA-UHFFFAOYSA-N 276.251 2.512 10 1 CFCF CC(C)=CCc1c(C=O)cc(C/C=C(\C)CO)c(O)c1O 140455006 SRNFRMCXSNGZTJ-LFYBBSHMSA-N 290.359 2.900 10 1 CFCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(Cl)cc1 169691672 JXINNMZFIQSDHG-CCEZHUSRSA-N 295.755 2.645 10 1 CFCF Cc1cc(C)c(/C=C2\C(=O)NN=C2c2ccccc2)[nH]1 36338799 CIROZPPSOPUKQK-LCYFTJDESA-N 265.316 2.549 10 1 CFCF COc1ccc(C[C@H]2NCCc3ccc(OC)c(O)c32)cc1 15263001 KRFKJAVTNDLYGI-OAHLLOKOSA-N 299.370 2.839 10 1 CFCF biogenic,in-vitro O=C1C(=O)[C@H](Sc2ccccc2)C(=O)c2ccccc21 169714711 JCVTZPXAKBOPNP-MRXNPFEDSA-N 282.320 2.796 10 1 CFCF COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)N(C)CC2 34310301 QRKWLDOOAQAGAE-HNNXBMFYSA-N 299.370 2.878 10 1 CFCF endogenous,in-man C[C@@H]1CCc2ncc3c(c2C1)C(=O)c1ccccc1C3=O 169306892 XSZWSMIBHRPDSV-SNVBAGLBSA-N 277.323 2.982 10 1 CFCF Nc1ccc(Cn2nc(Nc3ccccc3)ccc2=O)cc1 299854636 AHMKYZPFGOAUFM-UHFFFAOYSA-N 292.342 2.617 10 1 CFCF COc1c(C=Cc2cccc(O)c2)ccc(O)c1O 2356531650 HOXHKPYOQFWWTL-UHFFFAOYSA-N 258.273 2.982 10 1 CFCF CN(C)[C@@H]1C=Cc2cc3c4c(c2O1)CCCN4CCC3 2356822925 GHDSAHFXYAKFHN-HNNXBMFYSA-N 270.376 2.679 10 1 CFCF COc1ccc([C@@H]2Nc3ccccc3C(=O)C2=O)cc1OC 957719120 XYFNKXXNYGEUDO-HNNXBMFYSA-N 297.310 2.622 10 1 CFCF COc1cc2c(c3c1C=CCO3)C(=O)c1ccccc1C2=O 5884406 XSXCDQSWMAEDRL-UHFFFAOYSA-N 292.290 2.876 10 1 CFCF COc1c(O)c(O)c2oc(=O)ccc2c1CC=C(C)C 14616067 VCQOFWFYLXOGFZ-UHFFFAOYSA-N 276.288 2.722 10 1 CFCF Cc1ccc2oc(=O)c(C(=O)c3ccc(O)c(O)c3)cc2c1 169327025 CTDFFMUEPDUYPQ-UHFFFAOYSA-N 296.278 2.744 10 1 CFCF CN(C)c1ccc(CNc2nc3ccccc3c(=O)o2)cc1 27527086 KVYINVBMRDJLJW-UHFFFAOYSA-N 295.342 2.866 10 1 CFCF O=c1cccc[c-]1C/N=N/c1ccc([N+](=O)[O-])cc1 169691677 ONERWUQJRKGYAD-CCEZHUSRSA-N 256.241 2.958 10 1 CFCF COc1cc(OC)cc(-c2cn(-c3ccc(N)cc3)nn2)c1 28567155 LEBWNAWEANWSGF-UHFFFAOYSA-N 296.330 2.534 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Cl)c1 42966804 JLGNQQIARZBSBG-UHFFFAOYSA-N 289.718 2.907 10 1 CFCF O=c1c(-c2ccccc2)coc2cc(O)c(O)c(O)c12 14811892 AIXGIDCHNCBENY-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF O=c1cc(-c2ccc(O)cc2)c2ccc(O)c(O)c2o1 1911584629 CFXQYAICOYLJJQ-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF O=C1C[C@H](c2ccccc2)Oc2c(O)c(O)cc(O)c21 14807067 DWNSJXRFYCRZQD-GFCCVEGCSA-N 272.256 2.510 10 1 CFCF CN1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 13739902 MLHHCALLRFUZLA-MRXNPFEDSA-N 255.317 2.675 10 1 CFCF C[C@@]1(N)Cc2cc(O)c(O)cc2[C@@]1(C)c1ccccc1 27428152 HMBQZQRSXKUUEB-IAGOWNOFSA-N 269.344 2.677 10 1 CFCF CC1(C)C(=O)CC[C@]2(C)c3ccc(O)c(O)c3C(=O)C[C@@H]12 14818456 SFAIBUCIFDOSEB-YVEFUNNKSA-N 288.343 2.947 10 1 CFCF COc1cc(O)cc2c1-c1cc(O)c(O)cc1CC2 14650925 PNCLTOJYJHGZNS-UHFFFAOYSA-N 258.273 2.578 10 1 CFCF biogenic,in-vitro O=C(/C=C/c1cccc(O)c1O)OCCc1ccccc1 1857609728 VOIMUUBLILODJY-MDZDMXLPSA-N 284.311 2.897 10 1 CFCF O=C(O)c1cc(/C=C/c2ccc(O)c(O)c2)ccc1O 1642261 LFKFXGRMKCMWJH-OWOJBTEDSA-N 272.256 2.672 10 1 CFCF O=C1Nc2cc(OC(F)(F)F)ccc2N2CCCC[C@@H]12 43020297 QDYHMDMPJHHNFT-NSHDSACASA-N 286.253 2.896 10 1 CFCF COc1ccc2c3c1C(=O)c1ccccc1C3=NCC2 95592801 YRNGDHOGVNYWCI-UHFFFAOYSA-N 263.296 2.633 10 1 CFCF CCn1ccc2ccc([C@@H]3c4c(cnn4C)CCN3C)cc21 963955257 OPSKVJRWOBPZIC-QGZVFWFLSA-N 294.402 2.972 10 1 CFCF C[C@@H](C(=O)c1ccc(O)c(O)c1O)c1ccccc1 64560826 RWHAUGRUXUDOOJ-SECBINFHSA-N 258.273 2.790 10 1 CFCF O=[N+]([O-])c1cc(-c2cncn2-c2ccccc2)cc(O)c1O 49111031 ZYQIMAMAPQKKEJ-UHFFFAOYSA-N 297.270 2.859 10 1 CFCF Oc1cc2c3c(c1O)[C@H](c1ccccc1)C[C@H]3NCC2 1772581581 RCNQYUKUYFUWMM-QWHCGFSZSA-N 267.328 2.820 10 1 CFCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CC1CCCC1 1857572316 KJVCTJALFNHNFT-BQYQJAHWSA-N 282.361 2.674 10 1 CFCF CC(C)CNC(=O)[C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21 15952381 ADXDMWLQQWGDOX-XNRPHZJLSA-N 270.376 2.913 10 3 CFCF CN1c2ccoc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 473087442 FLTHAXIFYHZQIG-INIZCTEOSA-N 293.326 2.908 10 1 CFCF O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC[C@H]12 43018714 CFSCMJAXYYFBFU-MRXNPFEDSA-N 285.391 2.593 10 1 CFCF CSc1nnc2c(n1)c(C)nn2-c1cccc(C)c1 7043756 FHGZHWBWCYHQSN-UHFFFAOYSA-N 271.349 2.549 10 3 CFCF Oc1ccc(-c2cnc(-c3ccc(O)c(O)c3)o2)cc1O 142479740 NMCHVKJWRNDKNB-UHFFFAOYSA-N 285.255 2.831 10 1 CFCF COc1ccc(N2CC[N+]3(CCCCCC3)CC2)cc1 66111942 AVNUHBCAOJYNBS-UHFFFAOYSA-N 275.416 2.906 10 1 CFCF O=C(O)N1C(=O)/C(=C\c2ccccc2)SC1=S 70462960 OXFPDKITGZTIPT-SOFGYWHQSA-N 265.315 2.566 10 1 CFCF CCN(CC)C(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 95556889 DZEYOPUHJVHFJP-UHFFFAOYSA-N 297.310 2.537 10 1 CFCF COc1cc(O)c(O)cc1C1=Cc2ccc(O)cc2OC1 14758924 FJTBCBDITUZVGQ-UHFFFAOYSA-N 286.283 2.745 10 1 CFCF O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2ccc([N+](=O)[O-])cc21 13862821 JWHYMQNUBIWXBR-UHFFFAOYSA-N 298.210 2.549 10 1 CFCF O=c1ccc2ccc(O)c(CNCc3ccccc3)c2o1 13674215 OFAPFIYIPBODJH-UHFFFAOYSA-N 281.311 2.788 10 1 CFCF Cc1c2c(cc3c1C(=O)c1ccccc1C3=O)[C@@](C)(O)CC2 31168265 LKQDOAALZXNHGS-IBGZPJMESA-N 292.334 2.924 10 1 CFCF biogenic,in-vitro Nc1nc(O)nc(O)c1/N=N\c1ccccc1Cl 102772126 XGRNDRAMELXJCP-NXVVXOECSA-N 265.660 2.539 10 1 CFCF Oc1cc2c(cc1O)[C@H]1c3ccccc3CCN[C@@H]1CC2 13605862 RPGZNBRXSQMSKC-CRAIPNDOSA-N 281.355 2.690 10 1 CFCF COc1cccc2c1C(=O)c1c(C(C)=O)cccc1C2=O 29129732 GJVYFEZCQVDDIU-UHFFFAOYSA-N 280.279 2.673 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)cc(C)cc2[C@H]2C=CC[C@@H]12 64593874 VUZIVQROVMBFPJ-RWSFTLGLSA-N 273.332 2.718 10 1 CFCF C1=CCN(CCCn2c3c(c4ccccc42)CCNC3)C1 1857580765 HZCIQEYXTJWAHB-UHFFFAOYSA-N 281.403 2.549 10 1 CFCF CCOc1c(Cl)c(O)c(CN)c(OCC)c1Cl 29218059 KVPUPVXRLNXSKI-UHFFFAOYSA-N 280.151 2.955 10 1 CFCF O=c1oc2cc(O)c(O)cc2c2c1[nH]c1ccc(O)cc12 73197373 QTUJPRKMJLGOIM-UHFFFAOYSA-N 283.239 2.544 10 1 CFCF Oc1ccccc1CN1CCCC[C@@]1(O)c1cccnc1 96922419 BBKITNAKQHKIJO-QGZVFWFLSA-N 284.359 2.618 10 1 CFCF Cc1ccc([C@@]23O[C@H]2C(=O)c2ccccc2C3=O)cc1 169327688 GTSTZTCARCRXIA-IRXDYDNUSA-N 264.280 2.668 10 1 CFCF Cc1cccc([C@H]2CNCCc3cc(O)c(O)cc32)c1 26287744 WDOYOIUIRFMZEZ-OAHLLOKOSA-N 269.344 2.684 10 1 CFCF COc1ccc(N(C)CCc2ccc(O)cc2)cc1O 142806408 MFQRLRUURRGUOV-UHFFFAOYSA-N 273.332 2.785 10 1 CFCF Cc1cc(C)c(O)c([C@H]2NCCc3nc4ccccn4c32)c1 962993539 JJLKHRPZQRMMDM-MRXNPFEDSA-N 293.370 2.892 10 1 CFCF CN(C)c1ccc([C@@H]2CC(c3ccncc3)=NN2)cc1 103220430 KHZSMQCHOZZYPU-HNNXBMFYSA-N 266.348 2.586 10 1 CFCF Oc1ccc(Cc2cc(O)c(O)cc2Cl)cc1O 40420760 YXKGQNAUTVPFMB-UHFFFAOYSA-N 266.680 2.753 10 1 CFCF O=C1COC(c2ccc(/N=N/c3ccccc3)cc2)=NN1 1772616742 JIRCDQXVLVYUPI-WUKNDPDISA-N 280.287 2.910 10 1 CFCF Oc1ccc([C@@H]2CCc3cc(O)c(O)cc3O2)cc1 59588911 LTTHJRRYNPICTD-AWEZNQCLSA-N 258.273 2.870 10 1 CFCF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 587404185 PARJGGQPTDWKML-OAHLLOKOSA-N 285.299 2.695 10 1 CFCF CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(O)c3)[C@@H]1C2 28131038 HQDMLAXQJXSXAF-UHOFOFEASA-N 276.332 2.504 10 1 CFCF Oc1[nH]c2ccccc2c1N=NC(=S)N1CCOCC1 254010878 VRTXSOMUJYNWQK-UHFFFAOYSA-N 290.348 2.574 10 1 CFCF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O 8552351 ANPHVANSJXDRTP-KRXQYRFLSA-N 284.355 2.996 10 1 CFCF endogenous,in-man CC(=O)c1c(C)cc2c(c1O)C(=O)c1cc(C)ccc1C2=O 13306381 WXZKBIZDNITRFA-UHFFFAOYSA-N 294.306 2.987 10 1 CFCF Oc1ccc(C(=S)NCCc2ccccc2)cc1O 98083529 CMKDTZYQGSEGRY-UHFFFAOYSA-N 273.357 2.606 10 1 CFCF OC1=Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 2356810772 BBHSSNZBMJPCQJ-AWEZNQCLSA-N 288.255 2.542 10 1 CFCF Cc1ccc(S(=O)(=O)N[C@H](CN=[N+]=[N-])C(C)C)cc1 40848078 VCCSHDBKETUGPP-GFCCVEGCSA-N 282.369 2.608 10 1 CFCF COc1ccc([C@H]2CC(=O)Oc3c2ccc(O)c3O)cc1 196033599 BKFBPPFARHLQJX-GFCCVEGCSA-N 286.283 2.547 10 1 CFCF Cn1c(/C=C2\SC(=S)NC2=O)cc2sccc21 1772616773 KODXSOUJVHJCNY-UITAMQMPSA-N 280.399 2.729 10 1 CFCF C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)n1ccnc1 1857651025 TVMXQMINVPKXCQ-SNVBAGLBSA-N 292.294 2.861 10 1 CFCF COc1cc2c3c(c1)O[C@H](c1cccc(O)c1O)[C@@H](C2)C3=O 587448497 CVOPQWYQIKRHMU-APPDUMDISA-N 298.294 2.595 10 1 CFCF CC(=O)c1ccc([C@]23O[C@H]2C(=O)c2ccccc2C3=O)cc1 169327676 FUHNSNQJAOVDNA-ZWKOTPCHSA-N 292.290 2.563 10 1 CFCF CCCCn1c2c([n+](CC)c1C)C(=O)c1ccccc1C2=O 1857541577 KYBSCVPDWJYQMA-UHFFFAOYSA-N 297.378 2.679 10 1 CFCF CC1=CO[C@H]2c3ccc4c(CO)cccc4c3C(=O)C(=O)[C@@H]12 238774655 IEVHREPFSZOLJR-KDOFPFPSSA-N 294.306 2.689 10 1 CFCF CCC(=O)Nc1cc2c(s1)C(=O)c1ccccc1C2=O 1772619232 IKBOCUXXUOVVON-UHFFFAOYSA-N 285.324 2.872 10 1 CFCF Cc1ccc(Nc2scc(O)c2C(N)=O)cc1C 169730421 DVSYSWHUNGWNGH-UHFFFAOYSA-N 262.334 2.913 10 1 CFCF Oc1cc(Cl)c2c(c1O)Cc1cccc3c1[C@H]2CNC3 13479444 GDDGUUOQOYOFPC-LLVKDONJSA-N 287.746 2.891 10 1 CFCF CC1(C)OC(=O)C(/N=N/c2ccccc2[N+](=O)[O-])=C(O)O1 101863937 HSLKVPXPRIRWPT-BUHFOSPRSA-N 293.235 2.715 10 1 CFCF Cc1nc2c(c3c1C(=O)c1ccccc1C3=O)C(=O)CCC2 40981313 GYELODXHDZNMIX-UHFFFAOYSA-N 291.306 2.684 10 1 CFCF C[C@H](C(=O)c1ccc(O)c(O)c1O)c1ccccc1 64560824 RWHAUGRUXUDOOJ-VIFPVBQESA-N 258.273 2.790 10 1 CFCF Cc1ccc2c(c1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 87723271 DUJBUFXUMONRHW-YJBOKZPZSA-N 281.355 2.956 10 1 CFCF CCCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O 206703616 MWVPNGBTMIUWMF-UHFFFAOYSA-N 298.294 2.531 10 1 CFCF CC(C)(O)c1cc2c(o1)-c1ccccc1C(=O)C2=O 38999924 SAUJDEZTVUYTCL-UHFFFAOYSA-N 256.257 2.553 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)ccc(C)c2[C@H]2C=CC[C@@H]12 64637989 JYBKENBNEKULNU-WDMOLILDSA-N 273.332 2.718 10 1 CFCF COc1cc2c(c(OC)c1C)C(=O)c1ccccc1C2=O 13334381 GFEPHBKJTZSEJE-UHFFFAOYSA-N 282.295 2.788 10 1 CFCF O=C(CCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-] 13677660 BEMQRBWIIUEHRF-UHFFFAOYSA-N 287.271 2.822 10 1 CFCF O=c1cc2c3cc(O)c(O)cc3oc3cc(O)cc(o1)c32 14820632 MNLTYYVVVMDEEJ-UHFFFAOYSA-N 284.223 2.809 10 1 CFCF Oc1cc2c(c(Sc3ccccc3)c1O)CCNCC2 28094401 DHGAOMJHOQDVKM-UHFFFAOYSA-N 287.384 2.937 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)c(F)c1 43071360 SCCJHGWOIZMURL-UHFFFAOYSA-N 291.253 2.532 10 1 CFCF CC(C)CNC(=O)[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]12 15952379 ADXDMWLQQWGDOX-JGGQBBKZSA-N 270.376 2.913 10 3 CFCF COc1cc(O)c2c(C=O)c(O)c(O)c(C(C)C)c2c1 98082333 NMVJSNAQXOCTSH-UHFFFAOYSA-N 276.288 2.901 10 1 CFCF Oc1cc2c3c(c1O)CC[C@@H]3CNC[C@@H]2c1ccccc1 28758914 XLHXRZHPZSBATD-IUODEOHRSA-N 281.355 2.863 10 1 CFCF C[n+]1c2cc/c(=N\N=N)cc-2sc2ccccc21 169690201 KSMIXRAXIPTFOM-UHFFFAOYSA-N 255.326 2.677 10 1 CFCF COc1ccc(N[C@@H](C)C(=O)O)c(C(=O)c2ccccc2)c1 52957225 PSBLQEGOUJASLK-NSHDSACASA-N 299.326 2.811 10 1 CFCF CO[C@@H]1C[C@@H](O)[C@@H](c2ccc(O)c(O)c2)c2ccccc21 2356573266 HMIPFRUDZCRSHI-ZACQAIPSSA-N 286.327 2.682 10 1 CFCF CC=CCCC(=O)c1c(C)c(O)c(O)c(C)c1O 2356652644 KLQGVWIQLPTWBL-UHFFFAOYSA-N 250.294 2.959 10 1 CFCF C[C@@H]1CCc2c(ncc3c2C(=O)c2ccccc2C3=O)C1 169306896 FZOLWYSECXARFI-SNVBAGLBSA-N 277.323 2.982 10 1 CFCF O=C(Cn1ccnc1-c1ccccc1)c1ccc(O)c(O)c1 45387844 WIZZRWWXSSWLEO-UHFFFAOYSA-N 294.310 2.844 10 1 CFCF Nc1ccc(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 653726407 SRKFQYBVLADDRN-OAHLLOKOSA-N 282.303 2.616 10 1 CFCF N=C(NO)c1cccc(/C=C/c2ccc(O)c(O)c2)c1 1772620085 AYRIXAXXRYQDAT-SNAWJCMRSA-N 270.288 2.572 10 1 CFCF O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2[nH]1 35001333 TWYGWSBDUAYKOF-UHFFFAOYSA-N 282.299 2.509 10 1 CFCF CC1(C)CC[C@]23C[C@@]2(O1)C(=O)c1ccccc1C3=O 84689534 HMIMFARHABPIQA-HZPDHXFCSA-N 256.301 2.784 10 1 CFCF Oc1cc2c(cc1O)OC[C@H](c1cccc(F)c1)C2 6537 DBMCLHCIKJBATM-LLVKDONJSA-N 260.264 2.956 10 1 CFCF CCCN1CCC[C@@H]2Cc3c(ccc(O)c3O)C[C@H]21 29059274 HZPDHOOVQQYBJP-TZMCWYRMSA-N 261.365 2.687 10 1 CFCF CNc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1 45283912 RMLHDMTUTOMVIX-WUKNDPDISA-N 290.348 2.791 10 1 CFCF in-vivo O=C(CCc1ccc(O)c(O)c1)c1ccccc1O 40845493 OWLBLKJOTCPOCG-UHFFFAOYSA-N 258.273 2.619 10 1 CFCF Cc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccccc1)O2 957811016 GQQFMMVESQCYSS-INIZCTEOSA-N 252.269 2.881 10 1 CFCF O=C1c2ccccc2C(=O)c2c(-c3ccccn3)noc21 84704660 QRVLBGNJWGHTAU-UHFFFAOYSA-N 276.251 2.512 10 1 CFCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccccc1 96921772 APCJNKAUVNAIMW-OAHLLOKOSA-N 268.316 2.879 10 1 CFCF CC(C)NC1=NC(=O)/C(=C/c2c[nH]c3ncccc23)S1 40943028 XRZUKABSXOFDJQ-WDZFZDKYSA-N 286.360 2.531 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)cc1F 43080346 DUPMXUMDYLOVNT-UHFFFAOYSA-N 291.253 2.532 10 1 CFCF Oc1cc2c(cc1O)C[C@H](NCc1ccccc1)CC2 13604050 YOZGWJXSKNAAGL-OAHLLOKOSA-N 269.344 2.745 10 1 CFCF C[N+]1(C)CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 40442119 CWQHOSIQPZQRBC-CQSZACIVSA-O 282.363 2.995 10 1 CFCF Cc1ccc([C@]23O[C@@H]2C(=O)c2ccccc2C3=O)cc1 169327686 GTSTZTCARCRXIA-IAGOWNOFSA-N 264.280 2.668 10 1 CFCF O=C1c2ccccc2C(=O)c2c(-c3ccccc3O)noc21 84652003 JTWOWSNWFKTPIH-UHFFFAOYSA-N 291.262 2.823 10 1 CFCF O=C1c2ccccc2C(=O)C1c1cnc2c(n1)CCC=C2 169686771 JMLDEGPVJCQAFA-UHFFFAOYSA-N 276.295 2.599 10 1 CFCF COc1cc(/C=C\c2nc3ccc(C)nc3[nH]2)cc(O)c1O 587784949 FWXYICHVEGCVPG-XQRVVYSFSA-N 297.314 2.857 10 1 CFCF O=c1oc(-c2cc(O)c(O)c([N+](=O)[O-])c2)cc2ccccc12 27755145 MRUYBJSMZCYPJZ-UHFFFAOYSA-N 299.238 2.779 10 1 CFCF COc1ccc2c(c1OC)C(=O)c1ccc(C)cc1C2=O 206427954 IOKYSVJVPCWANF-UHFFFAOYSA-N 282.295 2.788 10 1 CFCF N[C@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 26572113 SSUNCBAILFPJRJ-QWHCGFSZSA-N 255.317 2.503 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)ccc(C)c2[C@@H]2C=CC[C@@H]12 195411240 JYBKENBNEKULNU-GYSYKLTISA-N 273.332 2.718 10 1 CFCF CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1 73169661 BRQJEINPOOJLPM-INIZCTEOSA-N 296.326 2.795 10 1 CFCF O=c1cc(-c2ccsc2)oc2cc(O)c(O)c(O)c12 653804964 DKJPYZOTRMIAJZ-UHFFFAOYSA-N 276.269 2.638 10 1 CFCF COc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2=O 14806302 HBRZHLWALXQHQA-HNNXBMFYSA-N 286.283 2.813 10 1 CFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3cccs3)nc21 1857774759 CZCYRXOGYNBZLL-UHFFFAOYSA-N 280.308 2.914 10 1 CFCF Oc1cc2c(cc1O)[C@H]1c3ccccc3SC[C@@H]1NCC2 72106000 ZQVMLHMNAQPWOQ-SUMWQHHRSA-N 299.395 2.850 10 1 CFCF O=c1oc2c(O)c(O)ccc2cc1-c1ccsc1 34548940 CEWHBCRJKOTHHH-UHFFFAOYSA-N 260.270 2.933 10 1 CFCF CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21 166635330 OTBYMNIVEREEFC-FOCLMDBBSA-N 290.322 2.916 10 1 CFCF CN(Cc1ccc(CN)cc1)Cc1ccc(N(C)C)cc1 71341944 ZMZSNJCTHQNJDQ-UHFFFAOYSA-N 283.419 2.843 10 1 CFCF Cn1cccc1-c1noc2c1C(=O)c1sccc1C2=O 1857585896 PHOQDUGDEVOIBC-UHFFFAOYSA-N 284.296 2.517 10 1 CFCF O=C1Nc2cc3ccccc3c3c(O)c(O)cc1c23 13484718 OGPSTCSVRVIXHA-UHFFFAOYSA-N 251.241 2.970 10 1 CFCF C[C@H]1CCc2ncc3c(c2C1)C(=O)c1ccccc1C3=O 169306893 XSZWSMIBHRPDSV-JTQLQIEISA-N 277.323 2.982 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@@H]2C=CC[C@@H]12 1911580124 IIYICOXZZSSRRG-JVLSTEMRSA-N 273.332 2.712 10 1 CFCF Oc1ccc(-c2cc(/C=C3\CN4CCC3CC4)on2)cc1O 26673214 SYGSVYHTPYEUDG-NTUHNPAUSA-N 298.342 2.862 10 1 CFCF COc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccccc1OC)O2 957811060 NSOGNKABODDEIT-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF Cc1csc(-c2cn(C)c3c2C(=O)C(=N)C=C3O)n1 5543741 ODOJPFBGTNDSCJ-UHFFFAOYSA-N 273.317 2.572 10 1 CFCF CN(C)[C@H]1C=Cc2cc3c4c(c2O1)CCCN4CCC3 2356822926 GHDSAHFXYAKFHN-OAHLLOKOSA-N 270.376 2.679 10 1 CFCF O=C(O)[C@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]12 13151531 REGZZMYIDMVSBE-LNLATYFQSA-N 294.148 2.988 10 1 CFCF O=c1c(F)c(-c2cccc(O)c2)oc2c(O)c(O)ccc12 95563648 ZPPVBGMSTOHSAB-UHFFFAOYSA-N 288.230 2.716 10 1 CFCF O=C1C[C@@H](c2ccc(O)cc2O)Nc2ccccc21 73219802 VHCRORMZECDUMS-ZDUSSCGKSA-N 255.273 2.837 10 1 CFCF O=c1cc(-c2cccs2)oc2c(O)c(O)ccc12 1772613756 QYMFJGNLNCVMAT-UHFFFAOYSA-N 260.270 2.933 10 1 CFCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(O)c1)O2 587405539 XMSGQICOQUZINO-QGZVFWFLSA-N 299.326 2.869 10 1 CFCF O=C1CC(=O)N(c2ccc(F)cc2)N1c1ccc(F)cc1 101099975 IENHKOXCJLCCJO-UHFFFAOYSA-N 288.253 2.650 10 1 CFCF Cc1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2cc1O 64560779 AOZPWTPVIZCSGH-UHFFFAOYSA-N 284.267 2.885 10 1 CFCF CN1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1C3 29041740 RGAYRBZKAXNILT-OAHLLOKOSA-N 281.355 2.774 10 1 CFCF CC(=O)N[C@H](c1cc(F)c2cccnc2c1O)C1CC1 36380886 ZEHVZFOUJRAJHQ-ZDUSSCGKSA-N 274.295 2.667 10 3 CFCF CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 13679814 MYMPRPZMYVKHBM-UHFFFAOYSA-N 283.371 2.719 10 1 CFCF Oc1cc(O)c2nc(-c3ccc(O)c(O)c3)sc2c1 13601093 XWVVZTQPCQUBSZ-UHFFFAOYSA-N 275.285 2.786 10 1 CFCF Cc1cccc(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)c1C 169325769 XVDUMGUVHWCGGZ-FOCLMDBBSA-N 289.364 2.609 10 1 CFCF O=C(/N=N/C(=O)Nc1ccccc1)NCc1ccccn1 28948522 AZSZMMCZHMVODY-VHEBQXMUSA-N 283.291 2.976 10 1 CFCF Nc1ccc(C[C@H]2CCc3cc(O)ccc3C2=O)cc1 7691 CDQDFCLUTLXRJB-CYBMUJFWSA-N 267.328 2.962 10 1 CFCF CCn1ccc2c(Oc3ccc(N)cc3)ncnc21 95556393 NOFMLIWSHMJJSL-UHFFFAOYSA-N 254.293 2.826 10 1 CFCF CN1c2ccoc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 473087445 FLTHAXIFYHZQIG-MRXNPFEDSA-N 293.326 2.908 10 1 CFCF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N=[N+]=[N-])[C@@H]1O 5963943 WGORJBPGNNZISJ-AAEUAGOBSA-N 287.275 2.676 10 1 CFCF O=c1cc(-c2ccccc2)oc2c(O)c(O)c3c(c12)OCO3 206039893 CSDHYSZAOUEKDE-UHFFFAOYSA-N 298.250 2.600 10 1 CFCF CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cccc(O)c1 95592523 KMKYCXKLTHHTFX-INIZCTEOSA-N 296.326 2.795 10 1 CFCF Cc1cc(O)c([C@H]2NCCc3ccc(O)cc32)cc1C 963350647 CHYCGDDPTXKEOD-KRWDZBQOSA-N 269.344 2.950 10 1 CFCF CCCCOC(=O)OCCc1ccc(O)c(O)c1 1857641837 UQJGLAQVPUXEGT-UHFFFAOYSA-N 254.282 2.594 10 1 CFCF Cc1cccc([C@@H]2COc3cc(O)c(O)cc3C2=O)c1 28875477 BLCHGDNHQAWIPT-LBPRGKRZSA-N 270.284 2.765 10 1 CFCF CCc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccc(O)c(O)c1)O2 957811008 CZOZQVMAHODTAQ-KRWDZBQOSA-N 298.294 2.546 10 1 CFCF C[C@H](O)c1cc2c(s1)C(=O)c1ccsc1C2=O 1648662 HLSTYWBADAGQLR-YFKPBYRVSA-N 264.327 2.638 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)ccc(C)c2[C@H]2C=CC[C@@H]21 64637992 JYBKENBNEKULNU-COPLHBTASA-N 273.332 2.718 10 1 CFCF COc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O 137668666 HYEUJWFTWDERQI-UHFFFAOYSA-N 277.279 2.952 10 1 CFCF COc1ccc([C@H]2Nc3ccccc3C(=O)C2=O)cc1OC 957719130 XYFNKXXNYGEUDO-OAHLLOKOSA-N 297.310 2.622 10 1 CFCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(O)cc1 95587188 FMNVINDGKPLSCK-KRWDZBQOSA-N 296.326 2.795 10 1 CFCF Oc1ccc(C2=COc3c(ccc(O)c3O)C2)cc1 96908505 FNWFQALKJWWHGK-UHFFFAOYSA-N 256.257 2.779 10 1 CFCF Oc1ccccc1C1=NN[C@H](c2ccccc2O)C1 45371697 INFGLUYMRONKHY-LBPRGKRZSA-N 254.289 2.537 10 1 CFCF Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)CC2 968071 GWCPBEMISACTHQ-CQSZACIVSA-N 274.272 2.575 10 1 CFCF biogenic CC(=O)N[C@@H](C)c1cc(Cl)c2cccnc2c1O 36388629 VXTBFUPMJZNGSF-ZETCQYMHSA-N 264.712 2.791 10 3 CFCF CC1(C)OC(=O)C(/N=N\c2ccccc2C(=O)O)=C(O)O1 102868983 BVUQHGMCCPZHGF-PFONDFGASA-N 292.247 2.505 10 1 CFCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CS2 28572679 SCRVECYNVQFVHF-ZDUSSCGKSA-N 292.312 2.735 10 1 CFCF CC1(C)CC[C@@]23C[C@@]2(O1)C(=O)c1ccccc1C3=O 103000079 HMIMFARHABPIQA-JKSUJKDBSA-N 256.301 2.784 10 1 CFCF Cc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2 114332161 ZDDCKXUKAKOOCV-UHFFFAOYSA-N 274.408 2.735 10 1 CFCF O=C(CCCCc1ccc(O)c(O)c1)N1CCCCC1 200710378 JSFJGMJMGMXHKO-UHFFFAOYSA-N 277.364 2.823 10 1 CFCF CCOc1ccc(C(=O)c2ccc(OC)c(O)c2O)cc1 8681347 NTAHJPYHXKMYBL-UHFFFAOYSA-N 288.299 2.736 10 3 CFCF in-vitro O=C(O)c1c(O)cccc1/C=C/c1ccc(O)c(O)c1 26294987 CPIKBVVOYPMTFQ-GQCTYLIASA-N 272.256 2.672 10 1 CFCF CCOc1cnc2c(c1C)C(=O)c1oc(C)c(C)c1C2=O 28005443 WZRTYANJGPKZGJ-UHFFFAOYSA-N 285.299 2.774 10 1 CFCF COc1ccc2c(c1)C(=O)c1cc(C)ccc1C2=O 14488658 IQJQDYDCFVWCRD-UHFFFAOYSA-N 252.269 2.779 10 1 CFCF CC1=CO[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCC[C@]4(C)O 2356499546 FRTCZULBZBTNEE-VHSSKADRSA-N 298.338 2.587 10 1 CFCF Oc1cc2c(cc1O)C[C@@H](NCc1ccccc1)CC2 13604051 YOZGWJXSKNAAGL-HNNXBMFYSA-N 269.344 2.745 10 1 CFCF Oc1cccc(CNc2ncccc2-c2ncccn2)c1O 621430795 JYUVSVLBRXXGTA-UHFFFAOYSA-N 294.314 2.562 10 1 CFCF COc1cc(C(=O)c2ccsc2N)cc(OC)c1OC 38277339 XDACIXUWKANDIA-UHFFFAOYSA-N 293.344 2.587 10 1 CFCF COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)C2=O)c1 957811022 JBBKTOPDJNVABR-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF CC1(C)OC(=O)C(/N=N/c2ccccc2C(=O)O)=C(O)O1 17527774 BVUQHGMCCPZHGF-CCEZHUSRSA-N 292.247 2.505 10 1 CFCF CCCN(CCC)C[C@H]1OCc2c1ccc(O)c2O 29486398 AHORNFLGOWOREH-CQSZACIVSA-N 265.353 2.791 10 1 CFCF CCCCCc1cc(O)c([C@@H]2CCC(=O)N2)c(O)c1 2356283902 GIADPZZLEDLPSU-NSHDSACASA-N 263.337 2.782 10 1 CFCF Cc1cc(O)cc2c1Oc1c(O)c(O)cc(C)c1C(=O)O2 2356800601 QDRVMTHJKWGGGE-UHFFFAOYSA-N 288.255 2.745 10 1 CFCF CCC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 169719088 ZKJYGNYVPWHDFE-UHFFFAOYSA-N 277.707 2.942 10 1 CFCF CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N\N(C)C 327056 PWPFDOJSDHJUEG-MSUUIHNZSA-N 290.323 2.914 10 1 CFCF COc1cc(/C=C2\SC(=O)NC2=S)cc(OC)c1O 5661043 XBLPLLJZXJFVLV-UITAMQMPSA-N 297.357 2.534 10 1 CFCF COc1ccc2c3c([nH]c2c1)C(=O)c1ccccc1C3=O 299824690 HGTUGOMVRBEJQL-UHFFFAOYSA-N 277.279 2.952 10 1 CFCF Cc1ccnc2c1CCN[C@@]2(C)c1c(O)cccc1F 963075438 SBYZSGRVKNDRBM-INIZCTEOSA-N 272.323 2.644 10 1 CFCF CCc1ccc2c3c1Cc1c(ccc(O)c1O)[C@@H]3CNC2 13479469 OEKDIZGIBLUFQR-HNNXBMFYSA-N 281.355 2.800 10 1 CFCF NCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 84710183 QEDFVIWSGYHVSM-UHFFFAOYSA-N 282.303 2.667 10 1 CFCF COc1ccc(CCc2ccc(O)c(O)c2O)cc1OC 64453667 DULQZJTVWCALEB-UHFFFAOYSA-N 290.315 2.606 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)cc(C)cc2[C@H]2C=CC[C@H]12 64593877 VUZIVQROVMBFPJ-PGUXBMHVSA-N 273.332 2.718 10 1 CFCF C1=CC(=[N+]2C=CN(Cc3ccccc3)C=C2)C2=NC=NC2=C1 377853411 NVMWQGNZMUKJTG-UHFFFAOYSA-N 287.346 2.835 10 1 CFCF Cc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O 95099451 MULCLRPFBZDKHF-UHFFFAOYSA-N 284.267 2.885 10 1 CFCF biogenic,in-vitro NC(=S)/N=N/c1c(O)[nH]c2ccc(Cl)cc12 13553651 DFMYMBOVJFENDP-BUHFOSPRSA-N 254.702 2.854 10 1 CFCF COc1cc(CCc2ccccc2)c(O)c(O)c1OC 14652425 CWSITSYPUXRHCS-UHFFFAOYSA-N 274.316 2.900 10 1 CFCF endogenous,in-man Cn1cccc1CNC(=S)Nc1ccc(Cl)cn1 28969122 ZLRKBGLMUFSZOB-UHFFFAOYSA-N 280.784 2.560 10 1 CFCF COc1ccc([C@@H]2Oc3ccccc3C(=O)C2=O)c(OC)c1 957811120 WNXVQGMEKANUQX-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF Oc1cc2c3c(c1O)[C@@H](c1ccccc1)C[C@@H]3NCC2 1772581580 RCNQYUKUYFUWMM-OLZOCXBDSA-N 267.328 2.820 10 1 CFCF COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccncc1 169723254 JVKATPMZMYXYSV-HTXNQAPBSA-N 296.290 2.584 10 1 CFCF Oc1cc2c(cc1O)OC[C@H](c1ccc3c(c1)OCO3)C2 28875488 DJLSRLIZCRXUKZ-LLVKDONJSA-N 286.283 2.545 10 1 CFCF CN1Cc2ccccc2[C@@H]2c3cc(O)c(O)cc3CC[C@H]21 29471902 JFIXQOMKJZEWGH-CRAIPNDOSA-N 281.355 2.990 10 1 CFCF CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O 73169335 JFRUAAFGFCEUMM-HNNXBMFYSA-N 296.326 2.795 10 1 CFCF COc1ccc2c(c1)C[C@@H]1c3cc(O)c(O)cc3CCN1C2 96930023 QENRDSSNVLVQMF-MRXNPFEDSA-N 297.354 2.762 10 1 CFCF COc1cc2c(cc1OC)C(=O)c1c(C)cccc1C2=O 2356472974 OTLLWVCLQKVXKG-UHFFFAOYSA-N 282.295 2.788 10 1 CFCF COc1cc(/C=C/c2nc3cncc(C)c3[nH]2)cc(O)c1O 587786717 VXOPEXNPGYOODC-ONEGZZNKSA-N 297.314 2.857 10 1 CFCF COc1ccc(C(=O)c2ccccc2N[C@H](C)C(=O)O)cc1 53084129 MIHIRDIMBRBBMV-LLVKDONJSA-N 299.326 2.811 10 1 CFCF Cc1cc(C)c(O)c([C@@H]2NCCc3nc4ccccn4c32)c1 962993535 JJLKHRPZQRMMDM-INIZCTEOSA-N 293.370 2.892 10 1 CFCF C[C@@H](O)c1cc2c(s1)C(=O)c1sccc1C2=O 1652345 ICOJWFLYZGAGHZ-RXMQYKEDSA-N 264.327 2.638 10 1 CFCF COc1cccc2c1C(=O)C(=O)[C@H](c1ccccc1)O2 197561523 FBRYSLJMIIWAGS-INIZCTEOSA-N 268.268 2.581 10 1 CFCF COc1ccc(C(=O)Cc2ccccc2)c(O)c1O 64549759 UHDGKHHBZDINHI-UHFFFAOYSA-N 258.273 2.532 10 1 CFCF Oc1cccc2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4 96930036 VNNDXBUBKOYLIM-OAHLLOKOSA-N 295.338 2.776 10 1 CFCF Fc1ccccc1C/N=N/c1ncnc2nc[nH]c12 169688679 YZBRAVJKOSFXLA-VHEBQXMUSA-N 256.244 2.776 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1c(F)cccc1F 42922298 XJTRTDJJYIWVNO-UHFFFAOYSA-N 291.253 2.532 10 1 CFCF C[C@@H]1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c32 13479452 DTPSKKIRHCHXKH-XPTSAGLGSA-N 267.328 2.798 10 1 CFCF O=C1Nc2cc(OC(F)(F)F)ccc2N2CCCC[C@H]12 43020295 QDYHMDMPJHHNFT-LLVKDONJSA-N 286.253 2.896 10 1 CFCF CC1(C)OC(=O)C(N=Nc2ccc(O)cc2)=C(O)O1 253994881 DWEOXCBHHOUPLU-UHFFFAOYSA-N 264.237 2.513 10 1 CFCF COc1cc(/C=C/C(=O)Nc2ccc(N)cc2)ccc1O 1857580942 BEDGCQOUGDTXJO-YCRREMRBSA-N 284.315 2.635 10 1 CFCF CN(C)c1ccc(CNc2nccc3c2ncn3C)cc1 82082282 SRZHCGGKVCPIDF-UHFFFAOYSA-N 281.363 2.646 10 1 CFCF CC1(C)[C@@H](O)CC[C@]2(C)c3ccc(O)c(O)c3C(=O)C[C@@H]12 34221010 DBXOYSCQKGYZEZ-GDZNZVCISA-N 290.359 2.739 10 1 CFCF COc1ccc(-c2c[nH]c3c2C(=O)c2cc[nH]c2C3=O)cc1 101664831 WHRBKXYATFHGDI-UHFFFAOYSA-N 292.294 2.794 10 1 CFCF COc1cccc([C@@H]2Oc3cc(OC)ccc3C(=O)C2=O)c1 957811058 NMSLABLVTRVMOX-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF Cc1sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c2c1C 96906966 YKOJOEIHXHEWTI-UHFFFAOYSA-N 288.328 2.680 10 1 CFCF [O-]/[N+](=N\c1ccccc1CO)c1ccccc1CO 5848570 OKCYVCFBMITAFC-NXVVXOECSA-N 258.277 2.597 10 1 CFCF COc1c(O)cc2c(c1OC)-c1cc(O)c(O)cc1CC2 14650746 XIIIDATWDBODRK-UHFFFAOYSA-N 288.299 2.586 10 1 CFCF NC[C@@H]1O[C@@H](C2CCCCC2)Cc2c1ccc(O)c2O 26575279 BOKASTZDGGZFET-CABCVRRESA-N 277.364 2.619 10 1 CFCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@H]1c1ccccc1 43079239 AZYKUNKWAWEMPI-INIZCTEOSA-N 296.326 2.795 10 1 CFCF COc1ccc(-c2cc(=O)oc3cc(O)c(O)cc23)cc1 238731450 MFUGFRSCIJUVTB-UHFFFAOYSA-N 284.267 2.880 10 1 CFCF CCCCC[C@@H]1OC(=O)Cc2cc(OC)c(O)c(O)c21 95596348 KIRBQTOWFFOBNA-JTQLQIEISA-N 280.320 2.827 10 1 CFCF O=[N+]([O-])c1ccc(/C=C/c2cc(O)c(O)c(O)c2)cc1 1857754069 ICPSHINLXSCCIN-OWOJBTEDSA-N 273.244 2.882 10 1 CFCF CCc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 957811009 CZOZQVMAHODTAQ-QGZVFWFLSA-N 298.294 2.546 10 1 CFCF O=C(/N=N/C(=O)Nc1ccccc1)NCc1ccncc1 28948524 RQKFUINMMCEURE-VHEBQXMUSA-N 283.291 2.976 10 1 CFCF CN1Cc2ccccc2[C@@H]2c3ccc(O)c(O)c3CC[C@H]21 13604045 GFOJCADGVHYVJC-NVXWUHKLSA-N 281.355 2.990 10 1 CFCF in-vivo COc1ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1 587193229 VLMNTJULLZAUQF-UHFFFAOYSA-N 297.358 2.667 10 1 CFCF Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1NCC2 72105231 NAEDEEABHJUYHB-MAUKXSAKSA-N 281.355 2.690 10 1 CFCF C[C@H](O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586890530 KVJDEPZFCZWFRK-JTQLQIEISA-N 283.331 2.861 10 1 CFCF COc1cc(O)c(O)c2c1-c1ccc(O)cc1CC2 14650820 GZUMFRSXHNRUNO-UHFFFAOYSA-N 258.273 2.578 10 1 CFCF biogenic,in-vitro Oc1ccc([C@@H]2CC(c3ccccc3O)=NN2)cc1 120718 RMOCLYAXEFWGCG-ZDUSSCGKSA-N 254.289 2.537 10 1 CFCF COc1ccc2c(c1)C(=O)[C@@H]1O[C@H](C)C(C)(C)[C@H]1C2=O 102824383 AWHRZPYMXDYJBL-IPZIOGDXSA-N 274.316 2.504 10 1 CFCF CO[C@](C=CO)(c1ccccc1)c1cc(O)cc(O)c1O 2356339555 PLJIHJKJDWEQDJ-MRXNPFEDSA-N 288.299 2.765 10 1 CFCF C[C@H](O)c1cc2c(s1)C(=O)c1sccc1C2=O 6487600 ICOJWFLYZGAGHZ-YFKPBYRVSA-N 264.327 2.638 10 1 CFCF CCCc1nc2c(n1CC)C(=O)c1ccccc1C2=O 13215568 VITPFZBXDRHVOJ-UHFFFAOYSA-N 268.316 2.631 10 1 CFCF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587450048 LXHVCYPBTXOIJV-GTNSWQLSSA-N 298.294 2.595 10 1 CFCF Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)CS2 28572680 SCRVECYNVQFVHF-CYBMUJFWSA-N 292.312 2.735 10 1 CFCF COc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1 96829759 FWQAUIPLDHTNCB-OAHLLOKOSA-N 285.343 2.536 10 1 CFCF C[C@@H](O)c1cc2c(s1)C(=O)c1ccsc1C2=O 6443267 HLSTYWBADAGQLR-RXMQYKEDSA-N 264.327 2.638 10 1 CFCF Oc1ccc2c(c1O)Sc1cccc3c1[C@H]2CNC3 13479426 BBDBLYVUGIMODC-JTQLQIEISA-N 271.341 2.798 10 1 CFCF O=C(CCc1ccccc1)OCCc1ccc(O)c(O)c1 1857760054 BAOQYBMFTWKHLF-UHFFFAOYSA-N 286.327 2.816 10 1 CFCF CCCOCc1cc(O)c(O)c(Br)c1 40874229 UIJQNGLFJQWGDC-UHFFFAOYSA-N 261.115 2.787 10 1 CFCF NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 6582184 IHHBCUGJDXJTSW-CQSZACIVSA-N 297.383 2.787 10 1 CFCF COc1c(O)c(O)cc2c1C=CC(=C1C=C[C](O)C=C1)O2 2356857250 AERQJYVBDVATRU-UHFFFAOYSA-N 285.275 2.797 10 1 CFCF Cc1cc(O)n2nc(N)c(N=Nc3ccccc3)c2n1 253531965 WDTXYNDTDNJONO-UHFFFAOYSA-N 268.280 2.741 10 1 CFCF COC(=O)c1ccccc1N=Nc1c(C)n[nH]c1O 253987397 SITDVXWEAFRMNH-UHFFFAOYSA-N 260.253 2.626 10 1 CFCF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N=[N+]=[N-])[C@H]1O 5963860 WGORJBPGNNZISJ-DGCLKSJQSA-N 287.275 2.676 10 1 CFCF O=c1cc(-c2cccs2)oc2cc(O)c(O)c(O)c12 653805023 ULDFHXZTKRIFLY-UHFFFAOYSA-N 276.269 2.638 10 1 CFCF Cc1ccc(O)c([C@]2(C)NCCc3nc4ccccn4c32)c1 962983094 AMNCHRJRQHLIGZ-SFHVURJKSA-N 293.370 2.758 10 1 CFCF O=c1[nH]c(/N=N/Cc2ccc(O)cc2)nc2ccccc12 169688288 HQFFRISNHSMYQZ-KNTRCKAVSA-N 280.287 2.913 10 1 CFCF COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)C2=O)c1 957811023 JBBKTOPDJNVABR-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF Nc1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1 348222 WMWFFUGLRGZFCK-UHFFFAOYSA-N 254.249 2.516 10 3 CFCF Oc1ccc(CCN2CCc3ccccc3C2)cc1O 169302871 OTNFPXRZVCVVQF-UHFFFAOYSA-N 269.344 2.699 10 1 CFCF Cc1csc(/N=N/C[c-]2ccc(=O)c([N+](=O)[O-])c2)n1 169687676 ZOIOWPPPQLWXLD-WYMLVPIESA-N 277.285 2.723 10 1 CFCF CO[C@@H]1C[C@H](O)[C@@H](c2ccc(O)c(O)c2)c2ccccc21 2356573264 HMIPFRUDZCRSHI-BBWFWOEESA-N 286.327 2.682 10 1 CFCF COc1cc(/C=C/c2nc3cccc(O)c3[nH]2)cc(O)c1O 587786303 SJUAAOLNMWTNRE-AATRIKPKSA-N 298.298 2.859 10 1 CFCF COc1cc(CCc2ccc(O)c(O)c2)cc(O)c1OC 15113658 RLTCQIKILNUNRD-UHFFFAOYSA-N 290.315 2.606 10 1 CFCF C[C@H]1Cc2cc(O)c(O)cc2[C@H]2c3ccccc3CN[C@H]12 72106388 GWUDMGMAIKWWRG-UFMUVLMGSA-N 281.355 2.894 10 1 CFCF Oc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1O 1857568657 YQRZXSVHKFALLX-UHFFFAOYSA-N 261.668 2.690 10 1 CFCF COc1c(O)c(O)cc2ccc3cc(O)c(O)cc3c12 14650717 GYHVMSCUKRSHOT-UHFFFAOYSA-N 272.256 2.824 10 1 CFCF biogenic,in-vitro Cc1cccc([C@H]2COc3cc(O)c(O)cc3C2=O)c1 28875480 BLCHGDNHQAWIPT-GFCCVEGCSA-N 270.284 2.765 10 1 CFCF OCc1ccccc1NCc1c(O)ccc2c1CCCO2 27990600 DKPNJBOMZRCXEK-UHFFFAOYSA-N 285.343 2.822 10 1 CFCF O=C(O)c1ccc(C2C(=O)c3ccccc3C2=O)cc1 100775206 CIWBJGHLBJZUBG-UHFFFAOYSA-N 266.252 2.548 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)cc(C)cc2[C@@H]2C=CC[C@@H]12 195411450 VUZIVQROVMBFPJ-HFAKWTLXSA-N 273.332 2.718 10 1 CFCF Nc1ccc(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 653726406 SRKFQYBVLADDRN-HNNXBMFYSA-N 282.303 2.616 10 1 CFCF CCCCCc1cc(O)cc(O)c1[C@H]1CSCC(=O)N1 2356283813 CAJDBICVXNGXFX-GFCCVEGCSA-N 295.404 2.735 10 1 CFCF COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)C2=O)cc1 957811126 ZAXIRPIFWPSVEE-KRWDZBQOSA-N 282.295 2.889 10 1 CFCF CC(=O)c1ccc([C@@]23O[C@@H]2C(=O)c2ccccc2C3=O)cc1 169327668 FUHNSNQJAOVDNA-MSOLQXFVSA-N 292.290 2.563 10 1 CFCF CCc1noc(-c2cc3c(o2)C(=O)c2ccccc2C3=O)n1 95555959 QTTBVKDJGZXCAD-UHFFFAOYSA-N 294.266 2.667 10 1 CFCF Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O 1637467 PPOGFOSNBVRYBG-UHFFFAOYSA-N 274.279 2.714 10 1 CFCF CCC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 95557036 OHWWOWBPRZNFRU-UHFFFAOYSA-N 254.241 2.648 10 1 CFCF CC(=O)CCc1ccc(CN2CCCCC2)c(O)c1 473090740 AFFODWKGHGFDNH-UHFFFAOYSA-N 261.365 2.900 10 1 CFCF Nc1ccc(C[C@@H]2CCc3cc(O)ccc3C2=O)cc1 3941493 CDQDFCLUTLXRJB-ZDUSSCGKSA-N 267.328 2.962 10 1 CFCF Cc1ccc([C@@]23O[C@@H]2C(=O)c2ccccc2C3=O)cc1 169327685 GTSTZTCARCRXIA-SJORKVTESA-N 264.280 2.668 10 1 CFCF COc1cc2c3c(c1OC)-c1ccccc1C(=O)C3=NCC2 238788800 WKURQIYEQPIIIA-UHFFFAOYSA-N 293.322 2.912 10 1 CFCF CC1=C(Cc2cnc[nH]2)CCc2cc(O)c(O)cc21 14946264 MOTLCHDOLQRVJD-UHFFFAOYSA-N 256.305 2.783 10 1 CFCF Oc1ccc2c(c1)OC[C@@H]1Cc3cc(O)c(O)cc3[C@H]21 95564154 ZWERDMHQFRTYIN-FVMDXXJSSA-N 270.284 2.500 10 1 CFCF Cc1nc2c(c(N(C)c3ccc(N)cc3)n1)CCC2 1857642027 BGWTYTXVMJAZCH-UHFFFAOYSA-N 254.337 2.624 10 1 CFCF C[C@@H]1CCCCN1/[N+]([O-])=N/OCc1ccc([N+](=O)[O-])cc1 96932937 SCRINHPFJUOWCN-YOEHMKRZSA-N 294.311 2.778 10 1 CFCF CCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1 1857553721 IIMVBDPOMMJIKA-VQHVLOKHSA-N 270.350 2.674 10 1 CFCF Cc1cc(OCC(=O)O)ccc1Cc1ccc(N)cc1 473172822 YQVROXWXPJRSNM-UHFFFAOYSA-N 271.316 2.631 10 1 CFCF [N-]=[N+]=NCCCCCCc1nc2c(N)ccnc2[nH]1 587260732 ZXHDCICBUTZXFK-UHFFFAOYSA-N 259.317 2.953 10 1 CFCF CN(C)C(=O)[n+]1ccc(/C=C/c2ccccc2)cc1 173469 ZZQIYLWHIZALSZ-CMDGGOBGSA-N 253.325 2.674 10 1 CFCF CCCN(CCC)C1=NCc2cc(O)c(O)cc2N1 27748978 WMNMJHBOPIDABN-UHFFFAOYSA-N 263.341 2.501 10 1 CFCF O=C(NCc1ccccc1O)c1cc2cc(O)ccc2[nH]1 27552711 NWYGTJRSVQJSID-UHFFFAOYSA-N 282.299 2.509 10 1 CFCF CC(C)CNC(=O)[C@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]12 15952380 ADXDMWLQQWGDOX-BJJXKVORSA-N 270.376 2.913 10 1 CFCF CN(CCc1ccccc1)CCc1ccc(O)c(O)c1 33865228 RUJUOMMSIKJUFP-UHFFFAOYSA-N 271.360 2.815 10 1 CFCF CCCN1CC[C@H]2CCc3cc(O)c(O)cc3[C@@H]2C1 27557825 JINMEYABTYRTEZ-BXUZGUMPSA-N 261.365 2.860 10 1 CFCF C[C@@H](/N=N/c1nc(O)c(CC(=O)O)s1)c1ccccn1 169691738 SJENQHOYGWMHEX-RROXYTNJSA-N 292.320 2.716 10 1 CFCF CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CN 71418563 AFAPEAVLDOOZAL-UHFFFAOYSA-N 283.419 2.843 10 1 CFCF O=c1oc2c(F)c(F)ccc2c2cc(O)c(O)cc12 25963824 RLKJYLCMFBGRQV-UHFFFAOYSA-N 264.183 2.636 10 1 CFCF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587450047 LXHVCYPBTXOIJV-APPDUMDISA-N 298.294 2.595 10 1 CFCF COc1c(/C=C/c2cccc(O)c2)ccc(O)c1O 14505393 HOXHKPYOQFWWTL-AATRIKPKSA-N 258.273 2.982 10 1 CFCF Oc1ccc2c(c1O)CC[C@H](NCc1ccccc1)C2 13604046 CVDKFLYPLGVMEO-AWEZNQCLSA-N 269.344 2.745 10 1 CFCF COC(=O)c1ccccc1/N=N/c1c(O)n[nH]c1C 18105489 SITDVXWEAFRMNH-CCEZHUSRSA-N 260.253 2.626 10 1 CFCF Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)C=C2 59032441 MCOMSYCLUGORMY-CQSZACIVSA-N 272.256 2.656 10 1 CFCF Cc1cc(CN2Cc3ccc(O)c(O)c3C2=O)ccc1F 43073744 RGHGVMXWTLTLOS-UHFFFAOYSA-N 287.290 2.701 10 1 CFCF Oc1ccccc1C1=NN[C@@H](c2ccccc2O)C1 45371703 INFGLUYMRONKHY-GFCCVEGCSA-N 254.289 2.537 10 1 CFCF O=c1c2ccccc2nc(/N=N/Cc2ccc(O)cc2)n1O 169688846 HHISYVCOGSNHMW-FBMGVBCBSA-N 296.286 2.623 10 1 CFCF COc1ccc2c(c1)C(=O)[C@@H]1O[C@H](C)C(C)(C)[C@@H]1C2=O 102824385 AWHRZPYMXDYJBL-AOAMOSOWSA-N 274.316 2.504 10 1 CFCF [N-]=[N+]=NCCC[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962911261 ZHLRIFBIUCAMES-QWRGUYRKSA-N 278.287 2.556 10 1 CFCF CCCCCc1cc(O)c([C@@H]2CSCC(=O)N2)c(O)c1 2356284314 WTAMTFPFDQACFH-NSHDSACASA-N 295.404 2.735 10 1 CFCF CN(C)/N=N/c1cc(Cl)cc(C(N)=O)c1Cl 18189299 JQXXBHBXIGMPFW-BUHFOSPRSA-N 261.112 2.653 10 1 CFCF Oc1cc2c3c(c1O)CC[C@H]3CNC[C@@H]2c1ccccc1 28758308 XLHXRZHPZSBATD-SWLSCSKDSA-N 281.355 2.863 10 1 CFCF O=c1oc2cc(O)ccc2cc1-c1ccc(O)c(O)c1 38778467 YASVZYJJTIRXLS-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)C2=O 957811078 QLWHBEMHXGNWHC-INIZCTEOSA-N 268.268 2.581 10 1 CFCF COC(=O)c1cccc(/N=N/c2cccc(O)c(=O)c2)c1 1857763179 HUJRBUIZNFUEJR-WUKNDPDISA-N 284.271 2.954 10 1 CFCF O=S1(=O)Nc2ccc(O)cc2-c2cc(Cl)ccc21 2477853 PZMVQBJYECBDNR-UHFFFAOYSA-N 281.720 2.827 10 1 CFCF Oc1ccc(SCc2cc(O)c(O)c(O)c2)cc1 1856889 FSXNHDWBUCJUII-UHFFFAOYSA-N 264.302 2.801 10 1 CFCF CCCc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O 15115350 HBNFWKSLJKIOTM-UHFFFAOYSA-N 282.295 2.826 10 1 CFCF Cc1ccccc1[C@H]1CNCCc2cc(O)c(O)cc21 26283504 SYUBTJSCGHTXMH-OAHLLOKOSA-N 269.344 2.684 10 1 CFCF Cc1c(O)c(O)c2c3c1C(=O)[C@@H](O)[C@H](C)[C@H]3CC[C@@H]2C 139043131 OYWNGWWABMFPQY-QIOBUDCOSA-N 276.332 2.580 10 1 CFCF N[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 26572108 SSUNCBAILFPJRJ-STQMWFEESA-N 255.317 2.503 10 1 CFCF CC(C)n1ccc2c(Oc3ccc(N)cc3)nc(N)nc21 95555403 QJRRPNKFBNXRMW-UHFFFAOYSA-N 283.335 2.969 10 1 CFCF Oc1cc2c3c(c1O)[C@H](c1ccccc1)C[C@@H]3NCC2 1772581582 RCNQYUKUYFUWMM-STQMWFEESA-N 267.328 2.820 10 1 CFCF O=C1c2ccccc2C(=O)c2c1ncn2-c1ccccc1 210611 VHNBWFBTATVTLH-UHFFFAOYSA-N 274.279 2.648 10 3 CFCF O=C1O[C@H](c2cccc(O)c2O)C(c2ccccc2)=C1O 42856296 GNBRVUWTVSTLQZ-OAHLLOKOSA-N 284.267 2.665 10 1 CFCF c1ccc2c(c1)Oc1ccccc1N2CCc1nn[nH]n1 621431778 JCQZYQCXJKMBFN-UHFFFAOYSA-N 279.303 2.686 10 1 CFCF CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1 95591402 BRQJEINPOOJLPM-MRXNPFEDSA-N 296.326 2.795 10 1 CFCF C[C@@]12O[C@@H]1C(=O)c1c(OCc3ccccc3)cccc1C2=O 169327647 KEXHSDYJZPPQJZ-MSOLQXFVSA-N 294.306 2.802 10 1 CFCF Cc1noc(O)c1/N=N\c1ccc2[nH]c(O)nc2c1 102712856 QXOQPPIYXXPNJA-PFONDFGASA-N 259.225 2.686 10 1 CFCF CN(CCO)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 587193160 UTCRAWUSYHORQY-UHFFFAOYSA-N 285.322 2.798 10 1 CFCF Oc1c(CNc2ccccn2)ccc2cccnc12 103262632 IGEDQYYDZVAWDL-UHFFFAOYSA-N 251.289 2.948 10 1 CFCF CN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)cc1 14439280 IIOUIJTYVIHHEI-HNNXBMFYSA-N 285.343 2.575 10 1 CFCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccccc1 96921771 APCJNKAUVNAIMW-HNNXBMFYSA-N 268.316 2.879 10 1 CFCF CC(C)c1cc(I)c(O)c(CN)c1 29218278 WHDCNZGZVZDFNK-UHFFFAOYSA-N 291.132 2.579 10 1 CFCF Cc1cccc(COC(=O)c2ccc(O)c(O)c2)c1 40829469 AJMOOANKAONKMF-UHFFFAOYSA-N 258.273 2.763 10 1 CFCF CC1(C)OC(=O)C(N=Nc2ccccc2C(=O)O)=C(O)O1 254045003 BVUQHGMCCPZHGF-UHFFFAOYSA-N 292.247 2.505 10 1 CFCF COC(=O)/C=C/c1ccc(NCc2ccc(O)c(O)c2)cc1 653882383 QQBODHBSMIPDLK-WEVVVXLNSA-N 299.326 2.896 10 1 CFCF COc1cccc2c1C(=O)c1sc(C(C)=O)cc1C2=O 299831198 AUSKUJGYIZDLOF-UHFFFAOYSA-N 286.308 2.735 10 1 CFCF O=C1C2=NCCc3cc4c(c(c32)-c2ccccc21)OCO4 238754890 IZBUKPQDQIHIAX-UHFFFAOYSA-N 277.279 2.624 10 1 CFCF O=C1c2ccccc2C(=O)c2c(-c3ccc(O)cc3)noc21 84706704 MJWZRRIELJLNSY-UHFFFAOYSA-N 291.262 2.823 10 1 CFCF N[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 13557329 SSUNCBAILFPJRJ-OLZOCXBDSA-N 255.317 2.503 10 1 CFCF Oc1cc2c(cc1O)[C@]13CCCC[C@H]1CCN3CC2 169309095 HQVSNWJCSFCUQD-LRDDRELGSA-N 259.349 2.745 10 1 CFCF O=C1c2c(O)cccc2C(=O)c2c3c(cc(O)c21)CCCC3 40379149 PAUGQCCIOJAESI-UHFFFAOYSA-N 294.306 2.752 10 1 CFCF O=c1cc(-c2ccccc2F)[nH]c2ccc(O)c(O)c12 64447982 WBGALTGNKLYWJQ-UHFFFAOYSA-N 271.247 2.745 10 1 CFCF CC1(C)OC(=O)C(/N=N/c2ccc(O)cc2)=C(O)O1 101628195 DWEOXCBHHOUPLU-BUHFOSPRSA-N 264.237 2.513 10 1 CFCF COc1ccc2c(c1O)[C@@H](Cc1ccc(O)cc1)N(C)CC2 34310303 QRKWLDOOAQAGAE-OAHLLOKOSA-N 299.370 2.878 10 1 CFCF endogenous,in-man CC(C)COC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 95557719 NCIFGQDNGUOKRF-UHFFFAOYSA-N 298.294 2.868 10 1 CFCF COc1ccc(CC(=O)c2ccc(O)c(O)c2)cc1OC 43058872 JASZXGZKHDWZSP-UHFFFAOYSA-N 288.299 2.540 10 1 CFCF NC(=O)c1cc2c(Oc3ccc(N)cc3)cncc2s1 13864408 BFDUIWWBUSVVMR-UHFFFAOYSA-N 285.328 2.770 10 1 CFCF O=C(c1ccc(O)c(O)c1)c1ccc2nc(O)sc2c1 43016481 NZNGKHINCPZBMQ-UHFFFAOYSA-N 287.296 2.644 10 1 CFCF Cc1cccn2c3c(nc12)-c1ccccc1C(=O)C3=O 139806510 JHJBQQBXPQHRJV-UHFFFAOYSA-N 262.268 2.689 10 1 CFCF COc1ccc([C@@H]2CC(=O)Oc3c2ccc(O)c3O)cc1 196033594 BKFBPPFARHLQJX-LBPRGKRZSA-N 286.283 2.547 10 1 CFCF COc1cccc2c1C(=O)c1cccc(C(C)=O)c1C2=O 29129741 WDLJLJZDRDPASM-UHFFFAOYSA-N 280.279 2.673 10 1 CFCF O=c1cc(-c2cccc(F)c2)[nH]c2ccc(O)c(O)c12 64447915 CDOJIQVEHJWPAP-UHFFFAOYSA-N 271.247 2.745 10 1 CFCF CC(C)CNC(=O)[C@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 169367150 ADXDMWLQQWGDOX-NOLJZWGESA-N 270.376 2.913 10 1 CFCF Oc1cccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 96930035 VNNDXBUBKOYLIM-HNNXBMFYSA-N 295.338 2.776 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)ccc(C)c2[C@@H]2C=CC[C@@H]12 195411234 JYBKENBNEKULNU-JTNHKYCSSA-N 273.332 2.718 10 1 CFCF CC1=CO[C@H]2c3ccc4c(CO)cccc4c3C(=O)C(=O)[C@H]12 2356618789 IEVHREPFSZOLJR-KSSFIOAISA-N 294.306 2.689 10 1 CFCF Oc1cc2c3c(c1O)[C@@H](c1ccccc1)C[C@H]3NCC2 1772581579 RCNQYUKUYFUWMM-CHWSQXEVSA-N 267.328 2.820 10 1 CFCF CC1=CO[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@@H]12)CCC[C@]4(C)O 2356499548 FRTCZULBZBTNEE-XWIAVFTESA-N 298.338 2.587 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)cc(C)cc2[C@@H]2C=CC[C@H]12 169303999 VUZIVQROVMBFPJ-ZETOZRRWSA-N 273.332 2.718 10 1 CFCF CC(=O)c1ccc2c(c1)C(=O)c1sc(C(C)=O)cc1C2=O 1653608 OGSTVKYZXKXSJY-UHFFFAOYSA-N 298.319 2.929 10 1 CFCF CCCCCc1cc(O)cc(O)c1[C@H]1CCC(=O)N1 2356283933 HDXUJCIVHUINAQ-GFCCVEGCSA-N 263.337 2.782 10 1 CFCF NC[C@@H]1O[C@@H](CCc2ccccc2)Cc2c1ccc(O)c2O 26569603 KIARRRIAGXQGBT-GUYCJALGSA-N 299.370 2.672 10 1 CFCF O=C(Cc1ccc(O)c(O)c1)OCCc1ccc(F)cc1 1857545403 RQRGZZGJHPJUST-UHFFFAOYSA-N 290.290 2.565 10 1 CFCF Oc1cc2c(cc1O)[C@@H]1c3ccccc3CCN1CC2 13739906 ORHIGFQDQVYZPJ-KRWDZBQOSA-N 267.328 2.601 10 1 CFCF N[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 13557339 SSUNCBAILFPJRJ-CHWSQXEVSA-N 255.317 2.503 10 1 CFCF CCCN1CCC[C@H]2Cc3c(ccc(O)c3O)C[C@H]21 87722589 HZPDHOOVQQYBJP-GXTWGEPZSA-N 261.365 2.687 10 1 CFCF CCCCC[C@H]1OC(=O)Cc2cc(OC)c(O)c(O)c21 95596347 KIRBQTOWFFOBNA-SNVBAGLBSA-N 280.320 2.827 10 1 CFCF COc1cc2c3c(c1)OCc1cc(O)c(O)c(c1-3)CC2 15216518 FPDASUICQPSBGX-UHFFFAOYSA-N 270.284 2.764 10 1 CFCF O=C(O)c1ccccc1-c1cc2ccc(O)c(O)c2oc1=O 169309740 XXXMLYLDPUXMHC-UHFFFAOYSA-N 298.250 2.569 10 1 CFCF CCC[n+]1c2c(n(C3CC3)c1C)C(=O)c1ccccc1C2=O 1857610470 NTSCMNWHZGXCEM-UHFFFAOYSA-N 295.362 2.604 10 1 CFCF CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 28957203 ZOLHHTWPDPHXLW-UHFFFAOYSA-N 298.302 2.915 10 1 CFCF CC(=O)c1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)cc1 29407901 LRCJJYOMQSDMAQ-NSHDSACASA-N 260.253 2.525 10 1 CFCF Cc1ccc(C)n1-c1ccc(CCC(=O)O)c(C(=O)O)c1 95583754 WFFXJJIFTLEPQI-UHFFFAOYSA-N 287.315 2.810 10 1 CFCF COc1cccc(C(C)=C2SC(=S)NC2=O)c1 1857623006 OMWPBMOIAWYRIM-UHFFFAOYSA-N 265.359 2.574 10 1 CFCF O=C(OCCCc1ccccc1)c1cc(O)c(O)c(O)c1 167289425 OPLMDECSSJUIJU-UHFFFAOYSA-N 288.299 2.593 10 1 CFCF CN(C)c1ccc([C@H]2CC(c3ccncc3)=NN2)cc1 103220433 KHZSMQCHOZZYPU-OAHLLOKOSA-N 266.348 2.586 10 1 CFCF Cc1nc2c(n1CC(C)C)C(=O)c1ccccc1C2=O 13216713 LMXCIDYZXHSDLV-UHFFFAOYSA-N 268.316 2.623 10 1 CFCF CN1C(Cc2ccc(O)c(O)c2)=NC[C@@H]1Cc1ccccc1 28086887 BIJYVGHKWBEPQT-HNNXBMFYSA-N 296.370 2.596 10 1 CFCF O=c1c(-c2ccc(O)cc2)coc2ccc(O)c(O)c12 141567902 JBIALMRECRJGOL-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF CC1(C)OC(=O)C(N=Nc2ccc(C(=O)O)cc2)=C(O)O1 299813230 NGPUKFKCFGFBGO-UHFFFAOYSA-N 292.247 2.505 10 1 CFCF COc1ccc2c(c1)C[C@H]1c3cc(O)c(O)cc3CCN1C2 96930024 QENRDSSNVLVQMF-INIZCTEOSA-N 297.354 2.762 10 1 CFCF O=NC1=C(/N=N/c2ccccc2)C2=NON(O)[C@@H]2CC1 169688611 QIWPTYZEMIUHOV-WBNXYMAISA-N 273.252 2.903 10 1 CFCF C(=C/N1CCN(c2ncccn2)CC1)\N=N\c1ccccc1 45505962 UCAWVEVGBBAGQO-FTROZBPISA-N 294.362 2.854 10 1 CFCF Cc1ccc2c3c1CNC[C@H]3c1ccc(O)c(O)c1C2 13478205 SOZRZRILJRQXRJ-AWEZNQCLSA-N 267.328 2.546 10 1 CFCF Oc1cc2c(c(O)c1O)C=C[C@H](c1ccccc1)O2 96908507 JKMBCZRFBXVQLU-GFCCVEGCSA-N 256.257 2.950 10 1 CFCF Oc1cc2c(cc1O)[C@H]1c3ccccc3CCN1CC2 13739905 ORHIGFQDQVYZPJ-QGZVFWFLSA-N 267.328 2.601 10 1 CFCF Cc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccccc1)O2 957811017 GQQFMMVESQCYSS-MRXNPFEDSA-N 252.269 2.881 10 1 CFCF O=C1c2cccnc2C(=O)c2c(-c3ccccc3)nsc21 1911576325 MQXAZVCCAHMSGO-UHFFFAOYSA-N 292.319 2.981 10 1 CFCF COc1cc(/C=C\c2nc3ccc(O)cc3[nH]2)cc(O)c1O 587786910 YNZIRVNIMJZBIV-DJWKRKHSSA-N 298.298 2.859 10 1 CFCF COC(=O)c1ccccc1/N=N\c1c(C)n[nH]c1O 102756241 SITDVXWEAFRMNH-PFONDFGASA-N 260.253 2.626 10 1 CFCF Oc1cc2c(cc1O)OC[C@@H](c1ccc3c(c1)OCO3)C2 28875491 DJLSRLIZCRXUKZ-NSHDSACASA-N 286.283 2.545 10 1 CFCF CC=Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O 2356795254 LTGAGDJAYDYCFK-UHFFFAOYSA-N 296.278 2.612 10 1 CFCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(O)c1 95587548 AULCQUOBIWEAOD-KRWDZBQOSA-N 296.326 2.795 10 1 CFCF O=c1oc2c(O)c(O)ccc2cc1-c1cccs1 653887816 MKXQMJFSUSXQFH-UHFFFAOYSA-N 260.270 2.933 10 1 CFCF O=C1c2ccsc2C(=O)c2c(-c3ccccn3)noc21 1857607691 DJVOTVBWAUQGEA-UHFFFAOYSA-N 282.280 2.574 10 1 CFCF CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N=[N+]=[N-])[C@H]1O 5963873 WGORJBPGNNZISJ-WCQYABFASA-N 287.275 2.676 10 1 CFCF O=c1c(O)c(-c2ccccc2)oc2cc(O)c(O)cc12 14807569 CIPSYTVGZURWPT-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF CNC1=NC(=O)/C(=C/c2ccn(Cc3ccccc3)c2)S1 73129464 LLUMCWZUXXVKMN-ZROIWOOFSA-N 297.383 2.726 10 1 CFCF O=c1oc2c(O)c(O)ccc2cc1-c1ccc(O)cc1 1857600764 SHWFFEHIZXPZOK-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF CN(C)c1ccc([C@H]2SCC(=O)N2c2ccccn2)cc1 40897116 PSSIXVHSZSMVOK-MRXNPFEDSA-N 299.399 2.926 10 1 CFCF Cc1cc(C(=O)N=Nc2c(O)[nH]c3ccccc23)n[nH]1 617989181 BSKYYYYVNXHPKG-UHFFFAOYSA-N 269.264 2.829 10 1 CFCF COc1cccc([C@H]2Oc3ccccc3C(=O)C2=O)c1 957811019 ICCCKCSILLJFTL-MRXNPFEDSA-N 268.268 2.581 10 1 CFCF COc1ccc(CC(=O)c2ccc(OC)c(O)c2O)cc1 64549953 LODSCFTVPJABBU-UHFFFAOYSA-N 288.299 2.540 10 1 CFCF Nc1c2c(c(N)c3sccc13)C(=O)c1ccccc1C2=O 231365059 AOWXTFGVHCOJAE-UHFFFAOYSA-N 294.335 2.841 10 1 CFCF O=C(O)c1cccc2oc(-c3cccc(O)c3O)nc12 2356796087 MUJSDAFGSVFCNY-UHFFFAOYSA-N 271.228 2.604 10 1 CFCF CC1(C)CC[C@@]23C[C@]2(O1)C(=O)c1ccccc1C3=O 84689535 HMIMFARHABPIQA-HOTGVXAUSA-N 256.301 2.784 10 1 CFCF Oc1ccc(-c2n[nH]cc2-c2ccccc2F)c(O)c1O 1857654683 BLTDETRHZUTRCB-UHFFFAOYSA-N 286.262 3.000 10 1 CFCF COc1cccc([C@@H]2Oc3ccccc3C(=O)C2=O)c1 957811018 ICCCKCSILLJFTL-INIZCTEOSA-N 268.268 2.581 10 1 CFCF C[C@]12O[C@@H]1C(=O)c1c(OCc3ccccc3)cccc1C2=O 169327649 KEXHSDYJZPPQJZ-QZTJIDSGSA-N 294.306 2.802 10 1 CFCF CC(C)CNC(=O)[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 169367149 ADXDMWLQQWGDOX-DUVNUKRYSA-N 270.376 2.913 10 3 CFCF Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O 40917528 YXQXLHSRJUFMFD-UHFFFAOYSA-N 286.283 2.528 10 1 CFCF Cc1cc(OCCN)ccc1Cc1ccc(N)cc1 473166125 DKKXITDVHTUHMM-UHFFFAOYSA-N 256.349 2.506 10 1 CFCF COc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1 103251465 AOMAYOSPRMTXRK-NSCUHMNNSA-N 258.273 2.982 10 1 CFCF O=C(/C=C/c1ccc(O)c(O)c1)OC1CCCCC1 40412035 QWUCIPASPYORAC-VQHVLOKHSA-N 262.305 2.987 10 1 CFCF O=C1c2ccccc2C(=O)c2sc(-c3ccncc3)nc21 34240097 QALUABPVLVEXIB-UHFFFAOYSA-N 292.319 2.981 10 1 CFCF O=[N+]([O-])c1cc(-c2noc(-c3ccccc3)n2)cc(O)c1O 49073082 GCDBLBFPRRRIFA-UHFFFAOYSA-N 299.242 2.723 10 1 CFCF Cc1ccn2c3c(nc2c1)-c1ccccc1C(=O)C3=O 6666752 CHUOMRAEJMQDOJ-UHFFFAOYSA-N 262.268 2.689 10 1 CFCF CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1O 95771720 JMDFONWTJWCKJP-XFFZJAGNSA-N 295.385 2.622 10 1 CFCF O=C1c2ccccc2C(=O)c2c1oc1cc3c(cc21)OCO3 13651662 JXNVSTHSEHIOAQ-UHFFFAOYSA-N 292.246 2.937 10 1 CFCF CC1=CO[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCC[C@@]4(C)O 2356499544 FRTCZULBZBTNEE-MORSLUCNSA-N 298.338 2.587 10 1 CFCF CC(=O)c1ccc(N2C[C@@H](CN=[N+]=[N-])OC2=O)cc1 29407898 LRCJJYOMQSDMAQ-LLVKDONJSA-N 260.253 2.525 10 1 CFCF O=Cc1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653784952 DOKMOSURFLAOBW-UHFFFAOYSA-N 276.700 2.989 10 1 CFCF Cc1[nH]n(C2=NCCS2)c(=O)c1N=Nc1ccccc1 299849371 MNEPKNQLCRABFD-UHFFFAOYSA-N 287.348 2.851 10 1 CFCF Cc1cc(O)c([C@@H]2NCCc3ccc(O)cc32)cc1C 963350651 CHYCGDDPTXKEOD-QGZVFWFLSA-N 269.344 2.950 10 1 CFCF COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2 144640988 WVZFBLPQMJQXJP-HNNXBMFYSA-N 288.299 2.878 10 1 CFCF Oc1cc(O)c2ccc(-c3cc(O)c(O)c(O)c3)[o+]c2c1 14645440 CMPNIWQMRYYTMK-UHFFFAOYSA-O 287.247 2.909 10 1 CFCF in-man COc1ccc2c(c1)C(=O)[C@H]1O[C@H](C)C(C)(C)[C@H]1C2=O 66075651 AWHRZPYMXDYJBL-XHYYPMHDSA-N 274.316 2.504 10 1 CFCF CCCCCCOC(=O)Cc1ccc(O)c(O)c1 1857552911 SGORGJPJFGJJQR-UHFFFAOYSA-N 252.310 2.764 10 1 CFCF COc1ccccc1[C@@H]1Oc2ccccc2C(=O)C1=O 957811050 LUOGYHCZSBZDSM-INIZCTEOSA-N 268.268 2.581 10 1 CFCF [N-]=[N+]=NCCCCCCc1nc2c(O)nc(S)nc2[nH]1 587259609 FWBFLEFTMIMUTF-UHFFFAOYSA-N 293.356 2.760 10 1 CFCF O=C(CN1CCCCC1)/N=N/c1c(O)[nH]c2ccccc12 13570771 KVIIDNHJSMQFHM-ISLYRVAYSA-N 286.335 2.970 10 1 CFCF CCc1cc(NCc2ccccc2O)c(=O)[nH]c1C 5887288 GJJTWMJKJHXXIQ-UHFFFAOYSA-N 258.321 2.563 10 1 CFCF O=c1cc(-c2ccc(F)cc2)[nH]c2ccc(O)c(O)c12 64448078 QNQRQSDYMKGGML-UHFFFAOYSA-N 271.247 2.745 10 1 CFCF CC(=O)N[C@@H](c1cc(F)c2cccnc2c1O)C(C)C 38142067 LVCGKWXAKCRMCA-CYBMUJFWSA-N 276.311 2.913 10 1 CFCF Cc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)O)cc2)n1 5553120 HTHFFKJFEVLJQX-CCEZHUSRSA-N 293.304 2.758 10 1 CFCF O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccccc1 84672540 NWFBRGQEFHGLGI-UHFFFAOYSA-N 269.256 2.944 10 1 CFCF O=NC1=C(/N=N/c2ccccc2)C2=NON(O)[C@H]2CC1 169688612 QIWPTYZEMIUHOV-NJERVBSYSA-N 273.252 2.903 10 1 CFCF COc1ccc2c(c1)O[C@H]1c3ccc(O)c(O)c3OC[C@@H]21 14820476 YRFDJOAWSXSLMG-NHYWBVRUSA-N 286.283 2.716 10 1 CFCF endogenous,in-man Cn1c2c(c3ccc(C=O)cc3c1=O)C(=O)c1ccccc1-2 95583226 ZNCPSVYAUSUVEE-UHFFFAOYSA-N 289.290 2.562 10 1 CFCF CC(C)CCOC(=O)C=Cc1ccc(O)c(O)c1 2356332079 ARDWPGKUNNUACS-UHFFFAOYSA-N 250.294 2.700 10 1 CFCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2c(C(=O)O)cccc12 587639040 ZFYHMZWTFLGECD-UHFFFAOYSA-N 298.298 2.986 10 1 CFCF COCc1ccc2c(c1)C(=O)c1ccccc1C2=O 28240969 QLQSLEXHHJFYQY-UHFFFAOYSA-N 252.269 2.608 10 1 CFCF O=C1C[C@H](c2ccc(O)cc2O)Nc2ccccc21 73219801 VHCRORMZECDUMS-CYBMUJFWSA-N 255.273 2.837 10 1 CFCF Cc1ccc(CC(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 27753175 TYZZDZFJIBSFMN-UHFFFAOYSA-N 287.271 2.740 10 1 CFCF Oc1ccc(-c2nc3cc(O)c(O)cc3s2)cc1O 13601097 IXGOFNTYRMOWLA-UHFFFAOYSA-N 275.285 2.786 10 1 CFCF O=C1C[C@@H](c2ccc(O)cc2)Oc2c1ccc(O)c2O 14806938 IXQZKAVXZDCYDY-ZDUSSCGKSA-N 272.256 2.510 10 1 CFCF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccccc1O 102284020 NCRIOAPDIOOBCI-DTQAZKPQSA-N 298.254 2.985 10 1 CFCF CC(=O)n1c(O)c(NC(=S)N=N)c2ccccc21 169697445 VTSCBPNJGFCMCZ-UHFFFAOYSA-N 262.294 2.735 10 1 CFCF Cc1cc(O)c(O)c2oc(=O)c3ccc(F)cc3c12 25963793 YHPDGXMHLMRDHU-UHFFFAOYSA-N 260.220 2.805 10 1 CFCF O=C(Nc1ccc2c(c1)CCC2)c1cc(O)c(O)c(O)c1 1857552569 PZMFWVDTANZXBU-UHFFFAOYSA-N 285.299 2.544 10 1 CFCF COc1cc2c(cc1O)CCc1cc(O)c(O)c(OC)c1-2 14650748 CRUPEFXLYIXCHB-UHFFFAOYSA-N 288.299 2.586 10 1 CFCF O=C1C[C@H](c2ccc(O)c(O)c2)c2ccccc2N1 1857559472 RPJZWHXLMDHGMI-LLVKDONJSA-N 255.273 2.572 10 1 CFCF COc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O 14807377 XPYKQSORRZRFLQ-UHFFFAOYSA-N 284.267 2.880 10 1 CFCF Cc1ccc(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)c(C)c1 169700607 SHEHNQOKTGEPEX-FOCLMDBBSA-N 289.364 2.609 10 1 CFCF Cc1n(C2CC2)c2c([n+]1C1CC1)C(=O)c1ccccc1C2=O 1857559896 HFVWCNYKIOSZTB-UHFFFAOYSA-N 293.346 2.529 10 1 CFCF CN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)cc1 13546024 IIOUIJTYVIHHEI-OAHLLOKOSA-N 285.343 2.575 10 1 CFCF CCCCCOC(=O)C=Cc1ccc(O)c(O)c1 2356339685 ULPIXLKKVGJPCT-UHFFFAOYSA-N 250.294 2.844 10 1 CFCF C[C@H]1c2cccc3c2[C@@H](CNC3)c2ccc(O)c(O)c21 100578937 HQWKOCKQSDIRSK-ZANVPECISA-N 267.328 2.798 10 1 CFCF O=c1oc2cc(O)c(O)cc2cc1-c1ccc2c(c1)OCO2 28645020 QIWBLBMFLODNJB-UHFFFAOYSA-N 298.250 2.600 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@H]2C=CC[C@@H]21 1911580121 IIYICOXZZSSRRG-IFUGULHKSA-N 273.332 2.712 10 1 CFCF Nc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 13743554 JNUZPBDZFSAFNB-UHFFFAOYSA-N 273.295 2.937 10 1 CFCF Cc1ccc([C@]23O[C@H]2C(=O)c2ccccc2C3=O)cc1 169327690 GTSTZTCARCRXIA-DLBZAZTESA-N 264.280 2.668 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)ccc(C)c2[C@H]2C=CC[C@H]12 64637991 JYBKENBNEKULNU-MJVIPROJSA-N 273.332 2.718 10 1 CFCF CN1C(=O)CC(=O)N1/C(=C/c1ccccc1)c1ccccc1 102949127 JKSWGDKENWSXIF-FOWTUZBSSA-N 292.338 2.790 10 1 CFCF N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 26972703 RMBSJLJLHHNREK-CZUORRHYSA-N 255.317 2.503 10 1 CFCF O=C1c2ccsc2C(=O)c2c(-c3ccncc3)noc21 1857583390 GNUBTTNJLMABGT-UHFFFAOYSA-N 282.280 2.574 10 1 CFCF O=[N+]([O-])c1cc(-c2cc(-c3ccncc3)no2)cc(O)c1O 49112172 RVSZUNRNIGZYTC-UHFFFAOYSA-N 299.242 2.723 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1cc(F)cc(F)c1 42922041 YICWJELYKYWDFQ-UHFFFAOYSA-N 291.253 2.532 10 1 CFCF O=C1C[C@H](c2ccc(O)cc2)Oc2c1ccc(O)c2O 14806941 IXQZKAVXZDCYDY-CYBMUJFWSA-N 272.256 2.510 10 1 CFCF CCCCc1c(O)cc(C(=O)CCC[C@H](C)O)c(O)c1O 2356851045 QDOPEULWEKAUSP-JTQLQIEISA-N 296.363 2.880 10 1 CFCF COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1cccnc1 169723253 MSCCROXHCUUMER-HTXNQAPBSA-N 296.290 2.584 10 1 CFCF COc1ccc2c(c1OC(C)=O)-c1nccc(C)c1C2=O 34223738 JCXAUJXBWMLUQI-UHFFFAOYSA-N 283.283 2.535 10 1 CFCF CC(=O)c1ccc([C@@]23O[C@H]2C(=O)c2ccccc2C3=O)cc1 169327674 FUHNSNQJAOVDNA-ROUUACIJSA-N 292.290 2.563 10 1 CFCF NC(=S)/N=N/c1c(O)[nH]c2ccc(Br)cc12 18007956 QTAKCQDISKEWPT-BUHFOSPRSA-N 299.153 2.963 10 1 CFCF Nc1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1 28465859 MCYXMJFPLNIWQT-UHFFFAOYSA-N 291.314 2.717 10 1 CFCF O=C(Cc1ccc(O)c(O)c1)OC1CCCCC1 1857608387 IVDLHRDIVKTKHX-UHFFFAOYSA-N 250.294 2.516 10 1 CFCF Oc1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1O 1911572961 IUDRYGHAJBRBIL-UHFFFAOYSA-N 261.668 2.690 10 1 CFCF Cc1cc(O)c(O)c(Oc2cc(C)c(C(=O)O)c(O)c2)c1 15254003 BGSIXQHNQUBHAX-UHFFFAOYSA-N 290.271 2.911 10 1 CFCF in-vitro C[C@@]12O[C@H]1C(=O)c1c(OCc3ccccc3)cccc1C2=O 169327651 KEXHSDYJZPPQJZ-ROUUACIJSA-N 294.306 2.802 10 1 CFCF O=C1NC(=S)/C(=C/c2ccc(C(=O)O)cc2)S1 95553778 QYCZDJALECNZGD-YVMONPNESA-N 265.315 2.510 10 1 CFCF Cc1ccc(S(=O)(=O)N=N/C=C2\C=CC=CN2O)cc1 263591167 HSCGTZGXGANXRH-SFVZPOGWSA-N 291.332 2.752 10 3 CFCF CC[C@H](C)n1c(C)nc2c1C(=O)c1ccccc1C2=O 13215777 JAQXUKVOOOYTJI-VIFPVBQESA-N 268.316 2.938 10 1 CFCF O=c1[nH]c2cc(F)ccc2n1Cc1cc(Cl)ccc1O 29396972 SPRRXUHGMJCVGN-UHFFFAOYSA-N 292.697 2.876 10 1 CFCF NC(=S)N=Nc1c(O)[nH]c2ccc(Br)cc12 261160491 QTAKCQDISKEWPT-UHFFFAOYSA-N 299.153 2.963 10 1 CFCF Oc1cc(-c2cc3cccc(O)c3o2)cc(O)c1O 299866809 PLLWCOFTLLHTKR-UHFFFAOYSA-N 258.229 2.922 10 1 CFCF CNC(=S)NNc1c2ccccc2nc2ccccc12 35963845 BJNBWKBTJMORAJ-UHFFFAOYSA-N 282.372 2.809 10 1 CFCF C[C@H]1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c32 13479453 DTPSKKIRHCHXKH-OTYXRUKQSA-N 267.328 2.798 10 1 CFCF O=C(O)C(=S)Cc1c[nH]c2ccc(Br)cc12 98208292 XFDKQHURWNNDLG-UHFFFAOYSA-N 298.161 2.927 10 1 CFCF in-vitro Nc1nc(O)nc(O)c1N=Nc1ccccc1Cl 253989144 XGRNDRAMELXJCP-UHFFFAOYSA-N 265.660 2.539 10 1 CFCF Cc1nnc(-c2cc3c(s2)C(=O)c2ccccc2C3=O)o1 1772576561 GKVARVODPCPLOT-UHFFFAOYSA-N 296.307 2.882 10 1 CFCF Cc1ccc2c(c1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 13603416 MOAVPJVJZOZOSE-CRAIPNDOSA-N 281.355 2.956 10 1 CFCF CC(=O)c1cc2c(s1)C(=O)c1ccccc1C2=O 1653606 AZJPKGXMDKTLMO-UHFFFAOYSA-N 256.282 2.726 10 1 CFCF CON1C(=O)c2cc(O)c(O)c3c2c1cc1ccccc13 148009615 CEZFUBUUBMBTKR-UHFFFAOYSA-N 281.267 2.926 10 1 CFCF Cc1cc2ncn(CC(=O)c3ccc(O)c(O)c3)c2cc1C 45372237 FYCXFOMMDOYMPH-UHFFFAOYSA-N 296.326 2.947 10 1 CFCF N=C(NO)c1cccc(/C=C/c2cc(O)c(O)cc2F)c1 1772620560 RNKCLNDYJMFMJT-SNAWJCMRSA-N 288.278 2.711 10 1 CFCF CCN(CCO)c1ccc(/N=N\c2cc(C)[nH]n2)cc1 13686555 ZHDWXPJAMSZVEX-VLGSPTGOSA-N 273.340 2.952 10 1 CFCF Cc1nc2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O 17283981 OEDRMYVGCFCZHE-UHFFFAOYSA-N 288.306 2.956 10 1 CFCF Oc1cc2c(cc1O)[C@@H]1c3ccccc3CC[C@@H]1NCC2 72105175 NAEDEEABHJUYHB-YJBOKZPZSA-N 281.355 2.690 10 1 CFCF CC(C)n1cnc2c(NCc3ccccc3O)ncnc21 13538235 YRYKHYBOCDXRCH-UHFFFAOYSA-N 283.335 2.725 10 1 CFCF COc1ccc(C2=S=C3C=CC=CN3C2=S)cc1 377407640 FTSGYQXLWAGRMK-UHFFFAOYSA-N 273.382 2.805 10 1 CFCF C[C@H](/N=N/c1nc(O)c(CC(=O)O)s1)c1ccccn1 169691739 SJENQHOYGWMHEX-IBXIGPNZSA-N 292.320 2.716 10 1 CFCF CCCCCc1cc(O)cc(O)c1[C@@H]1CSCC(=O)N1 2356283814 CAJDBICVXNGXFX-LBPRGKRZSA-N 295.404 2.735 10 1 CFCF O=c1cc(-c2ccc3[nH]cnc3c2)oc2c(O)c(O)ccc12 13586393 LZCZCAFIEAVBQZ-UHFFFAOYSA-N 294.266 2.748 10 1 CFCF CN(C)c1ccc([C@@H]2SCC(=O)N2c2ccccn2)cc1 40897119 PSSIXVHSZSMVOK-INIZCTEOSA-N 299.399 2.926 10 1 CFCF CCOCCc1ccc2c(c1O)C(=O)c1ccccc1C2=O 238754644 GPNAUQMPXPJLHZ-UHFFFAOYSA-N 296.322 2.747 10 1 CFCF CCc1ccc2c(c1O)C(=O)c1sccc1C2=O 299833164 JVAUPJXFIMKQQL-UHFFFAOYSA-N 258.298 2.792 10 1 CFCF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccnc3)cc21 205102553 PDHODGMRVODBEZ-UHFFFAOYSA-N 290.326 2.960 10 1 CFCF C[C@@]1(O)CCc2ccc3c(c2C1)C(=O)c1ccccc1C3=O 14887523 SIJURHHKUFYDRK-LJQANCHMSA-N 292.334 2.702 10 1 CFCF biogenic,in-vitro O=c1[nH]c2ccccc2n1Cc1cc(Cl)ccc1O 29400606 CSLZADOFHDLAPC-UHFFFAOYSA-N 274.707 2.737 10 1 CFCF CCCc1c(C(=O)OCC)cnn1-c1ccc(N)cc1 2523412 PJTQTAFLIZJUAW-UHFFFAOYSA-N 273.336 2.584 10 1 CFCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 169337010 ACKIBSNQJXTTPE-CMDGGOBGSA-N 290.340 2.684 10 1 CFCF COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 27205910 OXCBVQSOQCUOSG-UHFFFAOYSA-N 284.267 2.880 10 1 CFCF NCCNc1nc2c(c3ccccc13)C(=O)c1ccccc1-2 66078595 CUSJEVBLZKLQKF-UHFFFAOYSA-N 289.338 2.817 10 1 CFCF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC(=O)C2=O 261495150 ANPHVANSJXDRTP-ADAWSYLGSA-N 284.355 2.996 10 1 CFCF endogenous,in-man Cc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2 13478188 DUJBUFXUMONRHW-CRAIPNDOSA-N 281.355 2.956 10 1 CFCF C[C@H]1CCc2c(ncc3c2C(=O)c2ccccc2C3=O)C1 169306897 FZOLWYSECXARFI-JTQLQIEISA-N 277.323 2.982 10 1 CFCF CC(C)/[N+](C[C@H](O)COc1cccc2ccccc12)=N/O 27523905 TXYRHXNLIUKPMM-AWEZNQCLSA-O 289.355 2.842 10 1 CFCF O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2cc(O)c(O)cc12 96177629 ALGKUYVATFTEGP-UHFFFAOYSA-N 299.238 2.779 10 1 CFCF CC(=O)Oc1cc(C)cc2c1C(=O)c1ccccc1C2=O 14488650 NFQMSEYIAHXEMF-UHFFFAOYSA-N 280.279 2.696 10 1 CFCF CCCCCc1cc(O)c([C@H]2CCC(=O)N2)c(O)c1 2356283901 GIADPZZLEDLPSU-LLVKDONJSA-N 263.337 2.782 10 1 CFCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3C(=O)C(=O)[C@H]12 28568751 WIQAWUXRTIOFSX-NVXWUHKLSA-N 288.343 2.947 10 1 CFCF Cc1cccc2cc(-c3cc(O)c(O)c(O)c3)c(=O)oc12 96908582 HJKYWSHJOUJHRM-UHFFFAOYSA-N 284.267 2.885 10 1 CFCF O=C1c2ccccc2C(=O)c2c1oc1cc(O)cc(O)c21 13651659 BWOJLRXNVPTOIF-UHFFFAOYSA-N 280.235 2.619 10 1 CFCF O=C(O)CCNc1ccccc1C(=O)c1ccccc1 28759729 LCUPVPHGHVYPOC-UHFFFAOYSA-N 269.300 2.804 10 1 CFCF Cc1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)[nH]n1 100704009 BSKYYYYVNXHPKG-ISLYRVAYSA-N 269.264 2.829 10 1 CFCF CNS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1 89454910 PCHMJOHUYPRWEV-FOCLMDBBSA-N 291.332 2.716 10 1 CFCF Cc1c(CN(C)C)oc2c1C(=O)C(=O)c1ccccc1-2 169353272 ZGUWQHVJSIPONM-UHFFFAOYSA-N 269.300 2.696 10 1 CFCF COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)C2=O 957811079 QLWHBEMHXGNWHC-MRXNPFEDSA-N 268.268 2.581 10 1 CFCF COc1cc2c(cc1O)[C@@H]1Cc3cccc(O)c3CN1CC2 14586292 XYGPDXJMMAHCFZ-HNNXBMFYSA-N 297.354 2.762 10 1 CFCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(O)c1)O2 587405538 XMSGQICOQUZINO-KRWDZBQOSA-N 299.326 2.869 10 1 CFCF COc1c(O)c(O)cc(C(=O)CCc2ccccc2)c1O 238767576 JNGLPVFMAAXRRH-UHFFFAOYSA-N 288.299 2.628 10 1 CFCF Cc1noc(O)c1N=Nc1ccc2[nH]c(O)nc2c1 299813331 QXOQPPIYXXPNJA-UHFFFAOYSA-N 259.225 2.686 10 1 CFCF CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O 2075114 OIWQLSMNVRMWRN-UHFFFAOYSA-N 283.283 2.546 10 3 CFCF Cc1nc2c(n1C(C)C)C(=O)c1ccccc1C2=O 145564069 QTBPGOXRUQIORO-UHFFFAOYSA-N 254.289 2.548 10 1 CFCF O=C(CCc1ccc(O)c(O)c1)OCc1ccccc1 113293591 NPPXMKKJYNRZBA-UHFFFAOYSA-N 272.300 2.774 10 1 CFCF CC[C@@H](C)n1c(C)nc2c1C(=O)c1ccccc1C2=O 5502268 JAQXUKVOOOYTJI-SECBINFHSA-N 268.316 2.938 10 1 CFCF COc1ccc([C@H]2Oc3ccc(OC)cc3C(=O)C2=O)cc1 957811083 QVUBOGGZBCUMCN-QGZVFWFLSA-N 298.294 2.589 10 1 CFCF CC1(C)OC(=O)C(/N=N\c2ccccc2[N+](=O)[O-])=C(O)O1 102736433 HSLKVPXPRIRWPT-YPKPFQOOSA-N 293.235 2.715 10 1 CFCF COc1cc(/C=C/c2nc3cc(C)cnc3[nH]2)cc(O)c1O 587785162 IHJNZTXEMYHMPX-ONEGZZNKSA-N 297.314 2.857 10 1 CFCF CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 13760590 MFDGTFLMDIUFFP-UHFFFAOYSA-N 294.358 2.669 10 1 CFCF O=C1C[C@@H](c2ccccc2)Oc2c(O)c(O)cc(O)c21 14807064 DWNSJXRFYCRZQD-LBPRGKRZSA-N 272.256 2.510 10 1 CFCF COC(=O)c1cccc(/C=C2\SC(=O)NC2=S)c1 95555220 WNARYTLGSKOBHA-TWGQIWQCSA-N 279.342 2.598 10 1 CFCF Cc1ccc(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)cc1C 169325779 RHBXXKXINVFILS-FOCLMDBBSA-N 289.364 2.609 10 1 CFCF CC(=O)N[C@H](c1cc(F)c2cccnc2c1O)C(C)C 36380878 LVCGKWXAKCRMCA-ZDUSSCGKSA-N 276.311 2.913 10 1 CFCF Nc1ccc(Oc2ncccc2-c2ccncn2)cc1 143227365 MYWQZGLEIFSQTJ-UHFFFAOYSA-N 264.288 2.913 10 1 CFCF COc1cc(/C=C\c2nc3cccc(O)c3[nH]2)cc(O)c1O 587786305 SJUAAOLNMWTNRE-WAYWQWQTSA-N 298.298 2.859 10 1 CFCF OC1=Cc2ccc(O)c(O)c2O[C@@H]1c1ccc(O)c(O)c1 2356810773 BBHSSNZBMJPCQJ-CQSZACIVSA-N 288.255 2.542 10 1 CFCF COc1cccc2[nH]cc(CNC(=S)SC)c12 13379105 JVKOHVNWMQYCIN-UHFFFAOYSA-N 266.391 2.914 10 1 CFCF endogenous,in-man Cc1nc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cs1 1857771069 LKRNYWGGMHMVGX-UHFFFAOYSA-N 295.323 2.617 10 1 CFCF COc1ccc(/C=C2\SC(c3cnccn3)=NC2=O)cc1 299836980 NZYRUZWTAXQKNI-JYRVWZFOSA-N 297.339 2.546 10 1 CFCF Oc1ccc([C@@H]2CCc3ccc(O)c(O)c3O2)cc1O 238769343 XATMPCSHWAORNA-ZDUSSCGKSA-N 274.272 2.575 10 1 CFCF Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CS2 73221144 SJZOPMJJDGYBPN-MLGOLLRUSA-N 285.368 2.807 10 1 CFCF COc1ccc(C2=Cc3ccc(O)cc3OC2)c(O)c1O 14758915 XUHWJLMOAFPKEV-UHFFFAOYSA-N 286.283 2.745 10 1 CFCF Cc1c(-c2ccc(O)c(O)c2)oc(=O)c2c(O)cccc12 6520685 HESCUSKDPWWOKE-UHFFFAOYSA-N 284.267 2.885 10 1 CFCF O=c1oc2cc(O)c(O)cc2cc1-c1ccc(O)cc1 73142380 YVUQIBOMEHZRBP-UHFFFAOYSA-N 270.240 2.577 10 1 CFCF O=C1C(=O)c2c(oc(=O)c3ccccc23)-c2ccccc21 1659397 HADYLAXKAMXPFV-UHFFFAOYSA-N 276.247 2.839 10 1 CFCF Cc1cc2c(nc1C)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 28765741 QSFCVDVZBPPRDF-KDOFPFPSSA-N 296.370 2.660 10 1 CFCF O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC[C@@H]12 43018717 CFSCMJAXYYFBFU-INIZCTEOSA-N 285.391 2.593 10 1 CFCF COc1cc(/C=C\c2nc3c(C)ccnc3[nH]2)cc(O)c1O 587786837 YHWZRZKINZVMJL-ARJAWSKDSA-N 297.314 2.857 10 1 CFCF O=C1c2c(ccc(O)c2O)CN1Cc1cc(F)ccc1F 43070411 KRARQHVLTYJHJF-UHFFFAOYSA-N 291.253 2.532 10 1 CFCF Oc1cc(-c2ccnn2-c2ccccc2)cc(O)c1O 49071815 DWWTZKHZEUTKMH-UHFFFAOYSA-N 268.272 2.656 10 1 CFCF CNC[C@@H]1O[C@@H](C2CCCCC2)Cc2c1ccc(O)c2O 26574942 CQTDHZQZXNNVLA-CVEARBPZSA-N 291.391 2.880 10 1 CFCF NC(=S)N=Nc1c(O)[nH]c2ccc(Cl)cc12 261089397 DFMYMBOVJFENDP-UHFFFAOYSA-N 254.702 2.854 10 1 CFCF O=[N+]([O-])c1cc(-c2ccnn2-c2ccccc2)cc(O)c1O 49071480 DGOVVTOJPRPSFF-UHFFFAOYSA-N 297.270 2.859 10 1 CFCF O=C(CCc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1 27755156 HQFNWMXSBJIXJQ-UHFFFAOYSA-N 287.271 2.822 10 1 CFCF OC1=Cc2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 2356825986 HHFAUYYAKPPCCS-OAHLLOKOSA-N 272.256 2.836 10 1 CFCF CNC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(O)c2O 3787672 CQTDHZQZXNNVLA-HOTGVXAUSA-N 291.391 2.880 10 1 CFCF O=C1c2ccccc2-c2nnc(C(F)(F)F)cc21 27300862 XPRJVQZVODKZMT-UHFFFAOYSA-N 250.179 2.707 10 1 CFCF COc1ccc(Cc2c3cc(O)c(O)cc3cc[n+]2C)cc1 1629496 LCPHLHANZXJDQN-UHFFFAOYSA-O 296.346 2.675 10 1 CFCF CO[C@](/C=C/O)(c1ccccc1)c1cc(O)cc(O)c1O 101574506 PLJIHJKJDWEQDJ-KXPUMZMLSA-N 288.299 2.765 10 1 CFCF CCOC(=O)/C=C/c1cc2c(o1)C(=O)c1ccccc1C2=O 95553439 VBJSZHVDYKNTRD-BQYQJAHWSA-N 296.278 2.631 10 1 CFCF COc1ccc2c(c1)CCN2Cc1cccc(CN)c1 27850768 DIGNNTVHOJDQKG-UHFFFAOYSA-N 268.360 2.717 10 1 CFCF C=C/C=C/C=C/c1cccc(C(CO)CO)c1C(=O)N=N 33956228 HYIIDAABDYGOAY-PORXBIHVSA-N 286.331 2.681 10 1 CFCF in-vitro COc1ccc(OC)c2c1C(=[N+]=[N-])c1ccccc1-2 40568187 ISUWHPNIFHAUMN-UHFFFAOYSA-N 252.273 2.751 10 1 CFCF Oc1ccccc1CNc1ncccc1-c1ncccn1 473119784 MMKQRQTVUOSSBU-UHFFFAOYSA-N 278.315 2.856 10 1 CFCF CCN[C@@H](C)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857767967 WXMQBSFHSCLZIN-VIFPVBQESA-N 269.300 2.726 10 1 CFCF Oc1cc2c(c(O)c1O)C=C[C@@H](c1ccccc1)O2 96908506 JKMBCZRFBXVQLU-LBPRGKRZSA-N 256.257 2.950 10 1 CFCF Oc1cc(Cl)ccc1[C@H]1NCCc2nc3ccccn3c21 962987512 MYMJEBQSWVPADL-OAHLLOKOSA-N 299.761 2.928 10 1 CFCF Oc1ccc(-c2cc(-c3ccccc3)[nH]n2)c(O)c1O 1857758458 ABCNYCAUASKVBJ-UHFFFAOYSA-N 268.272 2.861 10 1 CFCF Cc1ccc(-c2ccccc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26836779 GRYRYCIEQRBDRS-HZPDHXFCSA-N 299.370 2.920 10 1 CFCF Oc1ccccc1CCCNCc1ccccc1O 1772584187 WBOAWYQEMHFWQV-UHFFFAOYSA-N 257.333 2.820 10 1 CFCF O=c1ccc2ccc(O)c(CNCCc3ccccc3)c2o1 13674207 VVWZJEIAVNXZEZ-UHFFFAOYSA-N 295.338 2.831 10 1 CFCF COc1cc(OC)c2c(c1)O[C@@H](c1ccccc1)C(=O)C2=O 957811004 CHOGOCWBBMOPIQ-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF O=C1c2ccccc2C(=O)c2c1cccc2C1=CCNCC1 1857557131 FKIUPDYBOBUXQJ-UHFFFAOYSA-N 289.334 2.839 10 1 CFCF COc1cc(CCc2cc(O)c(O)c(OC)c2)ccc1O 219737453 DAQVNMKZMKBKOF-UHFFFAOYSA-N 290.315 2.606 10 1 CFCF CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)c2ccccc21 39206224 MNGMWQPXNIONLF-FOCLMDBBSA-N 290.322 2.550 10 1 CFCF CCCN(CCC)C1=NCc2c(ccc(O)c2O)N1 27843465 GZLUDLKOBZSSSB-UHFFFAOYSA-N 263.341 2.501 10 1 CFCF CC1(C)CC[C@@H](O)[C@]2(C)c3ccc(O)c(O)c3C(=O)C[C@@H]12 34063766 KJZGTFDEYKYJQJ-OGHNNQOOSA-N 290.359 2.739 10 1 CFCF biogenic,in-vitro N=C(N)N=Nc1c(O)[nH]c2ccc(Br)cc12 617989302 YJRANHWEJGJOQV-UHFFFAOYSA-N 282.101 2.613 10 1 CFCF CSC(=S)NCc1cn(C)c2ccccc12 5932689 UDWCHLQLTMUNPW-UHFFFAOYSA-N 250.392 2.916 10 1 CFCF CN(C)c1ccc(/C=C/c2cc(=O)c(O)co2)cc1 1857656587 AUTNVGGDRHWUQZ-VMPITWQZSA-N 257.289 2.582 10 1 CFCF O=C(c1ccccc1)c1cc2c(nn1)-c1ccccc1C2=O 13743546 KAJDXVUTEAONQJ-UHFFFAOYSA-N 286.290 2.919 10 1 CFCF O=c1c(O)ccc[c-]1C/N=N/c1ccc([N+](=O)[O-])cc1 169691916 CYZGTBQZRXPJBU-CCEZHUSRSA-N 272.240 2.663 10 1 CFCF Cc1cc(O)cc2c1Oc1cc(O)c(O)c(C)c1C(=O)O2 203443706 OCRDEHRJPAOPKH-UHFFFAOYSA-N 288.255 2.745 10 1 CFCF CCOC(OCC)[C@H](OCC)c1ccc(O)c(O)c1 38815894 YKZRJELDVSQDFP-CYBMUJFWSA-N 270.325 2.575 10 1 CFCF Cc1cccc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 13478190 LYRRSOZNQRVMQC-CRAIPNDOSA-N 281.355 2.956 10 1 CFCF COc1cc(C2=NN[C@H](c3ccccc3)C2)ccc1O 653718773 BBUDPAODBSFABA-ZDUSSCGKSA-N 268.316 2.840 10 1 CFCF COc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccccc1)O2 957811073 PXGKBFXUQNLGTN-MRXNPFEDSA-N 268.268 2.581 10 1 CFCF COc1ccc2c(c1)O[C@H]1c3ccc(O)c(O)c3OC[C@H]21 14820478 YRFDJOAWSXSLMG-ABAIWWIYSA-N 286.283 2.716 10 1 CFCF endogenous,in-man Cn1c(-c2ccccc2)cc(=O)c2cc(O)c(O)cc21 66100117 AULQVHDFRWZKOQ-UHFFFAOYSA-N 267.284 2.617 10 1 CFCF Cc1cc2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c(C)n1 587193369 ZSCHCHMSSJKBJU-UHFFFAOYSA-N 296.374 2.670 10 1 CFCF COc1ccc(CC(=O)c2ccc(O)c(O)c2)cc1 43019969 KMELECLHMVZXAG-UHFFFAOYSA-N 258.273 2.532 10 1 CFCF O=C(NC1=NN(c2ccccc2)C(=O)C1)Oc1ccccc1 40763211 UZEKAWAUZGGYRK-UHFFFAOYSA-N 295.298 2.525 10 1 CFCF COc1c([C@@H]2COc3cc(O)ccc3C2)ccc(O)c1O 14758726 HAAVPVZHNBZDMX-JTQLQIEISA-N 288.299 2.531 10 1 CFCF CCc1c(C)cnc2c1C(=O)c1ncc(C)c(CC)c1C2=O 24229 YOVFDUZIDAIROP-UHFFFAOYSA-N 294.354 2.994 10 1 CFCF CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cccc(O)c1 95592524 KMKYCXKLTHHTFX-MRXNPFEDSA-N 296.326 2.795 10 1 CFCF Oc1[nH]c2ccccc2c1/N=N\C(=S)N1CCOCC1 102736974 VRTXSOMUJYNWQK-NXVVXOECSA-N 290.348 2.574 10 1 CFCF Cc1ccc2c3c([nH]c2c1)C(=O)c1ccncc1C3=O 1857629212 VCJWKDJOSSBYPR-UHFFFAOYSA-N 262.268 2.647 10 1 CFCF COc1cc(/C=C/c2nc3cnccc3[nH]2)cc(O)c1O 587786460 UHWONFOABCPQTP-NSCUHMNNSA-N 283.287 2.548 10 1 CFCF CN1Cc2cccc3c2[C@@H](C1)c1ccc(O)c(O)c1C3 13479449 QKJKRFHJKGBUTP-AWEZNQCLSA-N 267.328 2.579 10 1 CFCF CC(=CCC[C@H](CO)c1cc2cc(O)c(O)cc2o1)CO 2356867864 WWYMCCWATZXJLO-LLVKDONJSA-N 292.331 2.639 10 1 CFCF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](CN=[N+]=[N-])[C@@H]2CC1 95561319 MGQFKMIQHACLPT-MJDBTJCESA-N 291.351 2.726 10 1 CFCF [N-]=[N+]=NCCC[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962911255 ZHLRIFBIUCAMES-MNOVXSKESA-N 278.287 2.556 10 1 CFCF CCNC(=O)Nc1cn(C)c2cc(-c3cccnc3)cnc12 653778097 ZCALITJILRSQNY-UHFFFAOYSA-N 295.346 2.777 10 1 CFCF C[C@@H](c1ccccc1)N1Cc2ccc(O)c(O)c2C1=O 45286280 GVZYXTWEFIFCIY-JTQLQIEISA-N 269.300 2.815 10 1 CFCF C=c1cc(C)c(=C)c2c(c1)c(=C)c1c(C)[nH]c(C)cc12 2356832792 IDIHEOFZOXZHHA-UHFFFAOYSA-N 261.368 2.758 10 1 CFCF CN(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1 13779419 CBDUBPRIZSXHOV-UHFFFAOYSA-N 282.347 2.742 10 1 CFCF O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1ccco1 5731185 XZODWNWSRGNRJS-UHFFFAOYSA-N 289.674 2.860 10 1 CFCF Cc1ccc2[nH]c3c(c2c1)C(=O)c1cnccc1C3=O 1857631584 WEDSWJMCBYTINW-UHFFFAOYSA-N 262.268 2.647 10 1 CFCF O=C1CCC(c2ccc(NCc3ccccc3O)cc2)=NN1 103290344 YGPPBBFZFBXITB-UHFFFAOYSA-N 295.342 2.618 10 1 CFCF O=C(O)[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]12 58554869 REGZZMYIDMVSBE-AUTRQRHGSA-N 294.148 2.988 10 1 CFCF CO[C@@H]1C[C@H](O)[C@H](c2ccc(O)c(O)c2)c2ccccc21 2356573265 HMIPFRUDZCRSHI-GVDBMIGSSA-N 286.327 2.682 10 1 CFCF OC1=Cc2c(cc(O)c(O)c2O)O[C@@H]1c1ccc(O)cc1 2356849959 PZAIUZDIAKTCRV-OAHLLOKOSA-N 288.255 2.542 10 1 CFCF COc1cccc2c1cc1c3c(cc(O)c(O)c32)C(=O)N1 45388786 OEXNBLIETAXCHQ-UHFFFAOYSA-N 281.267 2.979 10 1 CFCF COc1cc(CCc2ccc(O)c(O)c2)cc(OC)c1O 238777891 NRPAEDCATWOFMY-UHFFFAOYSA-N 290.315 2.606 10 1 CFCF COc1ccc([C@@H]2Oc3cc(OC)ccc3C(=O)C2=O)cc1 957811122 WXHCVLZATPSGAY-KRWDZBQOSA-N 298.294 2.589 10 1 CFCF Cc1c(O)c(O)cc2c1CCNC[C@@H]2c1ccccc1 26400492 GNVDGBRXYQPWSR-OAHLLOKOSA-N 269.344 2.684 10 1 CFCF Nc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 1857593389 IYDYRLYUTJRPOB-UHFFFAOYSA-N 280.283 2.628 10 1 CFCF Cc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccc3c(c1)OCO3)O2 957816876 VWEYWLVWOMSKQL-KRWDZBQOSA-N 296.278 2.609 10 1 CFCF CC1=CO[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@@H]12)CCC[C@@]4(C)O 2356499543 FRTCZULBZBTNEE-FSPWUOQZSA-N 298.338 2.587 10 1 CFCF COc1cc(O)c2c(c1C)C(=O)N1c3ccccc3CO[C@@H]21 28951021 VZWNXUDVLHGXMB-KRWDZBQOSA-N 297.310 2.898 10 1 CFCF CO[C@@H]1C[C@@H](O)[C@H](c2ccc(O)c(O)c2)c2ccccc21 238783427 HMIPFRUDZCRSHI-BRWVUGGUSA-N 286.327 2.682 10 1 CFCF O=NC1=C(N=Nc2ccccc2)C2=C(CC1)N(O)ON2 263591800 WPWIUTKLBFLACD-UHFFFAOYSA-N 273.252 2.895 10 3 CFCF CCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O 13454733 ASGZSJBCACSXRC-UHFFFAOYSA-N 282.295 2.826 10 1 CFCF Nc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1 40430883 HQLVGHMXFPUJFW-UHFFFAOYSA-N 298.371 2.717 10 1 CFCF Oc1cc2c(cc1O)[C@H]1c3cscc3CN[C@@H]1CC2 13762042 QBDQCABBBJIVGT-DOMZBBRYSA-N 273.357 2.709 10 1 CFCF O=c1cc[c-](/N=N/c2ccc([N+](=O)[O-])cc2)c(O)c1 169689434 RXBKOYRZKJQJQA-BUHFOSPRSA-N 258.213 2.795 10 1 CFCF COc1cc2c(cc1O)CC[C@@H](c1ccc(O)c(O)c1)O2 96921297 INHFJIACOJCKGT-AWEZNQCLSA-N 288.299 2.878 10 1 CFCF COc1ccc([C@H]2CC(=O)c3c(ccc(O)c3O)O2)cc1 14806652 ONKIXTJNUUWOHL-CQSZACIVSA-N 286.283 2.813 10 1 CFCF CCOC(=O)[C@H]1Nc2c(O)ccc(C)c2[C@@H]2C=CC[C@H]12 169297616 JYBKENBNEKULNU-SUNKGSAMSA-N 273.332 2.718 10 1 CFCF O=C(/N=N/C(=O)Nc1ccccc1)NCc1cccnc1 3973851 DOMVZRWXDGTWMB-VHEBQXMUSA-N 283.291 2.976 10 1 CFCF CC1=C(C(=O)N2CCOCC2)Sc2cc(C)ccc2N1 103220029 HUGWAZSSYZNYQS-UHFFFAOYSA-N 290.388 2.603 10 1 CFCF CC(C)OC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 95553433 LOCONOWWVRUNSA-UHFFFAOYSA-N 284.267 2.620 10 1 CFCF O=c1cccc2oc(-c3ccc(O)c(O)c3)cc(O)c1-2 169730520 GPDWUFXRQUWPOZ-UHFFFAOYSA-N 270.240 2.528 10 1 CFCF Cc1ccc2c(c1)C(=O)c1c(ccc(C)c1O)C2=O 216855899 HCTYHANSAKYJLX-UHFFFAOYSA-N 252.269 2.784 10 1 CFCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(O)cc1 95587189 FMNVINDGKPLSCK-QGZVFWFLSA-N 296.326 2.795 10 1 CFCF C=C/[N+]([O-])=N/CCCCCCCCn1ccnn1 1857558798 GHHHHEQFKOJPKM-VKAVYKQESA-N 251.334 2.725 10 1 CFCF CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CC(C)C)CCC1=O 12474759 VDORBIHHOAQSLY-AWEZNQCLSA-N 295.431 2.902 10 3 CFCF O=c1[nH]ncc(/N=N/Cc2cccs2)c1Cl 169694015 TYIOSYIEWFCMFI-ACCUITESSA-N 254.702 2.769 10 1 CFCF CN1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1C3 29041742 RGAYRBZKAXNILT-HNNXBMFYSA-N 281.355 2.774 10 1 CFCF Cc1cccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587193359 ZLWKQDQSRBXQDA-UHFFFAOYSA-N 281.359 2.967 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)cc(C)cc2[C@@H]2C=CC[C@H]12 169303998 VUZIVQROVMBFPJ-JRPNMDOOSA-N 273.332 2.718 10 1 CFCF Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1 26649078 CDGBLXFKWDGWLW-UHFFFAOYSA-N 263.304 2.864 10 1 CFCF Cc1ccc(C)n1-c1ccc(-c2n[nH]c(=S)n2N)cc1 103175727 AHJXUELBTZJRGM-UHFFFAOYSA-N 285.376 2.729 10 1 CFCF CN(CCO)c1ccc(-c2nc3c(F)cccc3[nH]2)cc1 587192927 KSZIYRPPRLPAFT-UHFFFAOYSA-N 285.322 2.798 10 1 CFCF O=C1c2ccncc2C(=O)c2c(-c3ccc(F)cc3)noc21 84714657 WIPHOJHDZPLGAO-UHFFFAOYSA-N 294.241 2.651 10 1 CFCF Nc1nc(O)nc(O)c1N=Nc1cccc(Cl)c1 253994756 BEUPISRTEAFFTF-UHFFFAOYSA-N 265.660 2.539 10 1 CFCF Oc1ccc(-c2ccnn2-c2ccccc2)c(O)c1O 49112928 CLEJLKACGRFQCI-UHFFFAOYSA-N 268.272 2.656 10 1 CFCF CC(=O)N1N=C(c2c(O)cccc2O)C[C@H]1c1ccccc1 35856688 YSZBFLCGHRITOL-AWEZNQCLSA-N 296.326 2.795 10 1 CFCF O=C(NCc1ccc2[nH]ccc2c1)c1cccc(O)c1O 72111990 HCKLWDYYGDVKOB-UHFFFAOYSA-N 282.299 2.509 10 1 CFCF COc1cc2c3c(c1)O[C@H](CCCN=[N+]=[N-])[C@@H](C2)C3=O 587432898 MJACLHAPKDRHHV-GHMZBOCLSA-N 273.292 2.902 10 1 CFCF Cc1cc(O)cc(Oc2cc(C(=O)O)cc(O)c2O)c1 2356439174 GTTVRGKJJWIAKN-UHFFFAOYSA-N 276.244 2.602 10 1 CFCF Oc1csc(/N=N/Cc2cc(F)ccc2O)n1 169723071 PFQWCCLLNWHHFH-WYMLVPIESA-N 253.258 2.977 10 1 CFCF CN(C)c1ccc(/C=C/c2ccc3c(c2)no[n+]3[O-])cc1 28648406 WPJOTXGFYVEBFA-ONEGZZNKSA-N 281.315 2.698 10 1 CFCF O=NCCc1ccc2c(c1)C(=O)c1ccccc1C2=O 957671168 FKNFPVVQHYFCEV-UHFFFAOYSA-N 265.268 2.771 10 1 CFCF CCCn1c2c([n+](CCC)c1C)C(=O)c1ccccc1C2=O 1857572424 PLGNFAZDIYXALT-UHFFFAOYSA-N 297.378 2.679 10 1 CFCF Oc1ccccc1Cn1cc(Cc2ccccc2)nn1 40394640 KUWPZGSOUABMGY-UHFFFAOYSA-N 265.316 2.623 10 1 CFCF CN(C)c1cccc(-c2cc(=O)c3ccc(O)c(O)c3o2)c1 95563628 VSBATDCSBPRREY-UHFFFAOYSA-N 297.310 2.937 10 1 CFCF Cc1n(C2CC2)c2c([n+]1C(C)C)C(=O)c1ccccc1C2=O 1857584011 MOBHBZDAESCIDD-UHFFFAOYSA-N 295.362 2.775 10 1 CFCF CC1(C)OC(=O)C(/N=N\c2ccc(O)cc2)=C(O)O1 102680253 DWEOXCBHHOUPLU-YPKPFQOOSA-N 264.237 2.513 10 1 CFCF Cc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1O 64549738 FQNYYEIUKWAEDT-UHFFFAOYSA-N 284.267 2.885 10 1 CFCF COc1ccc2c(c1)c1c(n2C)C(=O)c2ccccc2C1=O 39129279 JNKQEBAWPCYMHP-UHFFFAOYSA-N 291.306 2.962 10 1 CFCF Cc1c(O)c(O)c(C)c2c1CCNC[C@@H]2c1ccc(O)cc1 26386084 OFXOOYCABAVYOH-OAHLLOKOSA-N 299.370 2.698 10 1 CFCF O=C(NC1CC1)c1ccc(-c2ccc(O)c(O)c2)s1 40829379 GSTZGXKEPOHOBC-UHFFFAOYSA-N 275.329 2.719 10 1 CFCF CCOC=C1SC(=S)N(c2ccccc2OC)C1=O 1857741994 KIUXBQAWUVLCLK-UHFFFAOYSA-N 295.385 2.938 10 1 CFCF CC(=O)N1N=C(c2c(O)cccc2O)C[C@@H]1c1ccccc1 35856690 YSZBFLCGHRITOL-CQSZACIVSA-N 296.326 2.795 10 1 CFCF O=[N+]([O-])c1cc(-c2cc(-c3ccccn3)no2)cc(O)c1O 49067077 INSIWUGSVSJNPZ-UHFFFAOYSA-N 299.242 2.723 10 1 CFCF O=C1NC(=S)/C(=C/c2cccc(C(=O)O)c2)S1 95555819 UUFLBARTDSQQLO-YVMONPNESA-N 265.315 2.510 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@@H]2C=CC[C@H]12 1911580122 IIYICOXZZSSRRG-ITDIGPHOSA-N 273.332 2.712 10 1 CFCF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC(=O)C2=O 100891773 ANPHVANSJXDRTP-FSZRXZPDSA-N 284.355 2.996 10 1 CFCF endogenous,in-man N=c1oc2c(O)c(O)ccc2cc1C(=O)Nc1ccccc1 26496964 UHFIQRTYVBNUMQ-UHFFFAOYSA-N 296.282 2.576 10 1 CFCF COc1cc(/C=C\c2nc3cc(C)cnc3[nH]2)cc(O)c1O 587785160 IHJNZTXEMYHMPX-ARJAWSKDSA-N 297.314 2.857 10 1 CFCF Cc1ccc(C=O)c2c(O)c(O)c(C(C)(C)O)cc12 15151074 KBVALMFOLUGDBB-UHFFFAOYSA-N 260.289 2.599 10 1 CFCF biogenic,in-vitro Cc1c2c(cc3c1C(=O)c1ccccc1C3=O)[C@](C)(O)CC2 31168261 LKQDOAALZXNHGS-LJQANCHMSA-N 292.334 2.924 10 1 CFCF Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C=C/NO 36338732 OZTNTVHINKGNED-NXZHAISVSA-N 282.343 2.956 10 1 CFCF O=c1cc(CCc2ccccc2)oc2ccc(O)c(O)c12 13340567 RNIUMSOYCSAHGF-UHFFFAOYSA-N 282.295 2.989 10 1 CFCF O=C1C(=O)[C@@H](Sc2ccccc2)C(=O)c2ccccc21 1699828 JCVTZPXAKBOPNP-INIZCTEOSA-N 282.320 2.796 10 1 CFCF CN1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1-3 5966818 SYKWSIUDXOQIDR-ZDUSSCGKSA-N 267.328 2.850 10 1 CFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccc(F)cc3)nc21 1857772973 YEJFKJLHGRJDIP-UHFFFAOYSA-N 292.269 2.991 10 1 CFCF [N-]=[N+]=NCCCCCCc1nc2cc(=N)[nH]cc2[nH]1 587260691 ZDZLYTLCTLDVGB-UHFFFAOYSA-N 259.317 2.784 10 1 CFCF CCCCCCNC(=O)/C=C/c1cc(O)c(O)c(O)c1 653869209 AQJFUQFYAOOZNB-VOTSOKGWSA-N 279.336 2.513 10 1 CFCF C/C=C/CCC(=O)c1c(C)c(O)c(O)c(C)c1O 14710949 KLQGVWIQLPTWBL-SNAWJCMRSA-N 250.294 2.959 10 1 CFCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C=C2 59032439 MCOMSYCLUGORMY-AWEZNQCLSA-N 272.256 2.656 10 1 CFCF Cc1cc(O)n2nc(N)c(/N=N\c3ccccc3)c2n1 102507045 WDTXYNDTDNJONO-MSUUIHNZSA-N 268.280 2.741 10 1 CFCF Cc1ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1 587192727 ACHSSIOSTFXKQU-UHFFFAOYSA-N 281.359 2.967 10 1 CFCF COC(=O)c1sc2nc3ccc(F)cc3cc2c1N 1857618443 GFFAQKFGWNYDCS-UHFFFAOYSA-N 276.292 2.957 10 1 CFCF O=C1C(c2ccc(Cl)cc2)=S=C2C=CC=CN12 377807052 MMMWTEVWLVQPAD-UHFFFAOYSA-N 261.733 2.649 10 1 CFCF Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1 26650568 WCFVDHIMOUTJKQ-UHFFFAOYSA-N 263.304 2.864 10 1 CFCF CCC[C@@H](C)OC(=O)C=Cc1ccc(O)c(O)c1 2356402188 AGXDVPULWUXVDT-SNVBAGLBSA-N 250.294 2.843 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)cc(C)cc2[C@H]2C=CC[C@H]21 64593875 VUZIVQROVMBFPJ-FIXISWKDSA-N 273.332 2.718 10 1 CFCF COc1cc2ccnc(Cc3ccc(O)c(O)c3)c2cc1O 14637101 JRVVRZZAHKIELX-UHFFFAOYSA-N 297.310 2.951 10 1 CFCF Cc1cc(O)n2nc(N)c(N=Nc3ccccc3F)c2n1 253531447 OGYDIZMADSHSOF-UHFFFAOYSA-N 286.270 2.880 10 1 CFCF O=C1c2ccccc2C(=O)c2nc3c(O)cccc3cc21 1628661 VCRWCHGPFSJJIG-UHFFFAOYSA-N 275.263 2.716 10 1 CFCF CCc1c(C)cnc2c1C(=O)c1c(ncc(C)c1CC)C2=O 28359505 PDEWNIOOICWGRC-UHFFFAOYSA-N 294.354 2.994 10 1 CFCF Oc1ccc([C@H]2CC(c3ccccc3O)=NN2)cc1 120715 RMOCLYAXEFWGCG-CYBMUJFWSA-N 254.289 2.537 10 1 CFCF C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)n1ccnc1 1857651024 TVMXQMINVPKXCQ-JTQLQIEISA-N 292.294 2.861 10 1 CFCF O=C(c1ccco1)c1cc2c(o1)C(=O)c1ccccc1C2=O 95552711 UYNWRENDGNAGQO-UHFFFAOYSA-N 292.246 2.879 10 1 CFCF COc1cc(C2=NN[C@@H](c3ccccc3)C2)ccc1O 653718772 BBUDPAODBSFABA-CYBMUJFWSA-N 268.316 2.840 10 1 CFCF O=C(O)c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 2356489752 IRXOADZHNKJVKE-UHFFFAOYSA-N 286.239 2.915 10 1 CFCF C[C@]12O[C@H]1C(=O)c1c(OCc3ccccc3)cccc1C2=O 169327653 KEXHSDYJZPPQJZ-ZWKOTPCHSA-N 294.306 2.802 10 1 CFCF COc1c(O)c(O)cc2c1-c1ccc(O)cc1CC2 14650884 KGVMMLJHKQZZHT-UHFFFAOYSA-N 258.273 2.578 10 1 CFCF CCCCCC(=O)N1C/C(=C(\C)CN=[N+]=[N-])C1=O 26375618 VQENYZFKZAVMSB-KTKRTIGZSA-N 250.302 2.562 10 1 CFCF CC1=NN(C(=O)C(F)(F)F)[C@H](c2ccccc2O)C1 653745015 OIXFQXIRKGZEEB-VIFPVBQESA-N 272.226 2.604 10 1 CFCF Oc1cc(N=Nc2ccc(Cl)cc2)nc(O)n1 253916619 VTVWKVYGAZNCRN-UHFFFAOYSA-N 250.645 2.957 10 3 CFCF CSc1nnc2c(n1)c(C)nn2-c1ccc(C)cc1 1013226 QUPVHQKXGPDVGW-UHFFFAOYSA-N 271.349 2.549 10 3 CFCF CN1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 13739901 MLHHCALLRFUZLA-INIZCTEOSA-N 255.317 2.675 10 1 CFCF COc1cccc(C/N=N/c2ncnc(Cl)c2N)c1O 169691731 XVMURVKYNSTSPZ-ISLYRVAYSA-N 293.714 2.710 10 1 CFCF COc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccccc1)O2 957811072 PXGKBFXUQNLGTN-INIZCTEOSA-N 268.268 2.581 10 1 CFCF CCOC(=O)[C@@H]1Nc2c(O)cc(C)cc2[C@H]2C=CC[C@@H]21 64593879 VUZIVQROVMBFPJ-ZIBATOQPSA-N 273.332 2.718 10 1 CFCF O=C(O)c1cc(O)c(O)cc1-c1cc2ccccc2oc1=O 169309741 AVFBUFLQRQBPER-UHFFFAOYSA-N 298.250 2.569 10 1 CFCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1COCC2 95553200 IWUIICCZWROKOL-UHFFFAOYSA-N 268.268 2.707 10 1 CFCF CC1=NN(C(=O)C(F)(F)F)[C@@H](c2ccccc2O)C1 653745013 OIXFQXIRKGZEEB-SECBINFHSA-N 272.226 2.604 10 1 CFCF CC(=O)OCOC(=O)c1ccccc1-n1c(C)ccc1C 219894327 JBNHRAVJEXOGBH-UHFFFAOYSA-N 287.315 2.772 10 1 CFCF Cc1c(O)c(O)cc2c1CCNC[C@H]2c1ccccc1 26400499 GNVDGBRXYQPWSR-HNNXBMFYSA-N 269.344 2.684 10 1 CFCF CC(=O)c1cccc2c1C(=O)c1c(C)ccc(O)c1C2=O 59128637 KLKAFHAFVPWEGZ-UHFFFAOYSA-N 280.279 2.679 10 1 CFCF in-vivo COc1ccc2c(c1OC)C(=O)c1c(C)ccnc1-2 196924360 ISWLNLXQUSPKLM-UHFFFAOYSA-N 255.273 2.619 10 1 CFCF O=C1c2ccncc2C(=O)c2c1[nH]c1cc(Cl)ccc21 1857633146 UUSVGTAJXPFIHF-UHFFFAOYSA-N 282.686 2.992 10 1 CFCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccccc3F)nc21 34538001 XUFYAZPAMNFIPW-UHFFFAOYSA-N 292.269 2.991 10 1 CFCF