smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3ccccc3c21 26338 CCPDIHKLISWESE-UHFFFAOYSA-N 298.301 3.492 10 1 CGCF biogenic [N-]=[N+]=NCCCCCCc1nc2ccc(C(N)=O)cc2[nH]1 587260068 NBJZFRRJZWTMKP-UHFFFAOYSA-N 286.339 3.075 10 1 CGCF CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@H]2C=CC[C@@H]12 15952458 DDOANMDPLIQWEZ-RWSFTLGLSA-N 275.323 3.151 10 1 CGCF CO[C]1C=CC(=C2C=Cc3c(cc(O)c(O)c3OC)O2)C=C1 2356855613 AMIYBDRZEQBEIC-UHFFFAOYSA-N 299.302 3.070 10 1 CGCF CCN1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1C3 29041744 CUNRTIQBXJTHDC-MRXNPFEDSA-N 295.382 3.164 10 1 CGCF COc1c(C=CCc2ccccc2)ccc(O)c1O 2356653178 FJBSNFVKUCFJSB-UHFFFAOYSA-N 256.301 3.362 10 1 CGCF Cc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O 27331473 PZGXVTAEJLFKLP-UHFFFAOYSA-N 273.291 3.319 10 1 CGCF O=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 14768676 XQXIDELHPWXTDD-UHFFFAOYSA-N 270.240 3.029 10 1 CGCF biogenic,in-vitro Cc1nc(-c2ccc(O)c(O)c2)cc2cc(O)c(O)cc12 45299318 CWFMJAJVCKLWBK-UHFFFAOYSA-N 283.283 3.033 10 1 CGCF O=C(O)C1=C(c2ccccc2)C(=Cc2ccccc2)C(=O)O1 2356714719 HXJRAGITJNXHBB-UHFFFAOYSA-N 292.290 3.123 10 1 CGCF Oc1cc2c(cc1O)C[C@@H]1CCc3c(ccc(O)c3O)C1=C2 85569234 FUMMXEIGPZOPFX-VIFPVBQESA-N 296.322 3.168 10 1 CGCF biogenic,in-vitro NCc1cccc(/N=N/c2cccc(CC(=O)O)c2)c1 58633461 RHNJRPYVLIXHAK-ISLYRVAYSA-N 269.304 3.188 10 1 CGCF in-vitro O=C(C(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 28713885 IBDJXLAQEHPROM-UHFFFAOYSA-N 282.192 3.309 10 1 CGCF in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(C)(C)N=[N+]=[N-])O2 587390907 SIWJYTMEPGNGHV-CQSZACIVSA-N 274.324 3.390 10 1 CGCF O=C(O)CCCc1ccc(NCc2ccccc2O)cc1 26576190 VHEZEZZGONTQPW-UHFFFAOYSA-N 285.343 3.412 10 1 CGCF Cc1cc2c(n1-c1cc(O)cc(C(=O)O)c1)CCCC2 587925363 GNCAJWUEFRCNBQ-UHFFFAOYSA-N 271.316 3.068 10 1 CGCF OC[C@@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O 11980653 RFAFZABIEOBDBE-SFHVURJKSA-N 297.398 3.406 10 1 CGCF CCCCCc1cc(O)c([C@H]2CSCCN2)c(O)c1 2356284220 SKFXWFKVJVMNNF-GFCCVEGCSA-N 281.421 3.208 10 1 CGCF CN(C)c1ccc2c(c1)N(C(N)=O)c1ccccc1C=C2 103231511 KKBUUGYXOMXBPI-UHFFFAOYSA-N 279.343 3.453 10 1 CGCF Cc1cc(C)c2c(c1O)[C@H](N)[C@H](Cc1ccccc1)C2 26156623 IDQRKKARIIAQGA-RHSMWYFYSA-N 267.372 3.424 10 1 CGCF CC(C)c1nc(=O)c2ccccc2n1-c1ccc(N)cc1 27651103 VVSXJNPCVXDGPZ-UHFFFAOYSA-N 279.343 3.091 10 1 CGCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc(C)c1 13560421 VWQAHJKZHDZZOO-GOSISDBHSA-N 294.354 3.398 10 1 CGCF O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(O)c(O)c1 169331034 VOEFCBNEKOUUPE-VZUCSPMQSA-N 287.702 3.244 10 1 CGCF Cc1cccc2cc(-c3ccc(O)c(O)c3)c(=O)oc12 96908580 NITSFXXTYPFWQT-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CC1CCCCC1 1857617620 RVRWKFIJSPCNFK-CMDGGOBGSA-N 296.388 3.064 10 1 CGCF COc1ccc(/N=N/c2c(-c3ccccn3)[nH][nH]c2=O)cc1 169723217 LWMHIYCWSVPWFB-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF COc1ccc(-c2cnoc2-c2ccc(O)c(O)c2)cc1 66074323 RUNRAURYRQUTSU-UHFFFAOYSA-N 283.283 3.428 10 1 CGCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(F)cc1 96921778 PWCUXLCHLIAMBR-OAHLLOKOSA-N 286.306 3.018 10 1 CGCF CCCCCN(CCCCC)/N=N/c1[nH]cnc1C(N)=O 5423930 SNKXYMGBEUWAMD-VHEBQXMUSA-N 294.403 3.190 10 1 CGCF CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1 1857623204 ZWJMMDQHGRHUCZ-UHFFFAOYSA-N 262.312 3.493 10 1 CGCF Cc1cccc([C@@H]2CC(c3ccc(O)cc3O)=NN2C)c1 96921781 XLJJZTFXLAVQNM-INIZCTEOSA-N 282.343 3.187 10 1 CGCF C[C@H]1C[C@H]2NCc3ccccc3[C@@H]2c2cc(O)c(O)cc21 72105152 PRIPPFKYKFCHKC-WQFPPAFTSA-N 281.355 3.209 10 1 CGCF Cc1cc(C)c2c(c1O)[C@H](N)[C@@H](Cc1ccccc1)C2 26156630 IDQRKKARIIAQGA-WMLDXEAASA-N 267.372 3.424 10 1 CGCF Cc1n[nH]c(N)c1/N=N\c1ccc(Br)cc1 102730428 HZYNNKKJLFSZGP-PFONDFGASA-N 280.129 3.478 10 1 CGCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(F)cc1 64415735 SHHZJJQDHIHCBM-QGZVFWFLSA-N 298.317 3.229 10 1 CGCF COC(=O)c1cc(O)c(O)c([C@]2(C)CCCC2(C)C)c1 2356690666 GBHHPTZARQQNFO-INIZCTEOSA-N 278.348 3.352 10 1 CGCF Cc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(O)cc12 169348613 NISNMBUOBIHSCC-UHFFFAOYSA-N 255.273 3.260 10 1 CGCF CC1=NN(C(=O)c2ccc(F)cc2)[C@H](c2ccccc2O)C1 653727929 PZDDLABIQXWSJK-HNNXBMFYSA-N 298.317 3.494 10 1 CGCF Cc1ccc(C)n1-c1c(N)cccc1Br 587937663 UXJNSMBLHCHBIA-UHFFFAOYSA-N 265.154 3.439 10 1 CGCF COc1ccc(C(=O)c2cc3cc(O)c(O)cc3o2)cc1 653738125 NPHNASVYVQQFQG-UHFFFAOYSA-N 284.267 3.084 10 1 CGCF Cc1cccc2c3c(ccc12)-c1occ(CO)c1C(=O)C3=O 14681571 CETREAVXUDHZGK-UHFFFAOYSA-N 292.290 3.280 10 1 CGCF biogenic,in-vitro Nc1ccccc1C(=O)/N=N/c1[nH]c(N)c2ccccc12 101884394 YZKLYCQCWIDQRL-FMQUCBEESA-N 279.303 3.256 10 1 CGCF Nc1n[nH]c(N)c1/N=N/c1cccc2ccccc12 36152740 ULGBLRQVUYBYQK-WUKNDPDISA-N 252.281 3.143 10 1 CGCF Oc1ccc(-c2nc3cc(O)c(O)cc3s2)cc1 29410485 FQCVSOVXLLHFAP-UHFFFAOYSA-N 259.286 3.080 10 1 CGCF CN1CCc2cc(O)c(O)c3c2[C@@H]1C[C@@H]3c1ccccc1 1772610114 JZEITSKBLAVSNW-KGLIPLIRSA-N 281.355 3.162 10 1 CGCF CN(C)c1ccc(C=Cc2nc(=O)c3ccccc3o2)cc1 1857594108 PESIVUUPADYIOC-UHFFFAOYSA-N 292.338 3.424 10 1 CGCF C[C@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O 402946 QOZFCKXEVSGWGS-UNSNBMSVSA-N 288.387 3.315 10 1 CGCF endogenous,world CC1=NCCN=C(C)C1/N=N/c1ccc2[nH]c(C)nc2c1 22036685 UOSSUCDWBYDXSX-QZQOTICOSA-N 282.351 3.259 10 1 CGCF Nc1n[nH]c(N)c1/N=N\c1ccc(Cl)cc1Cl 13130150 SGQKIQHPQRWOFZ-PFONDFGASA-N 271.111 3.296 10 1 CGCF COc1cc(/C=C/c2cccc(O)c2O)cc(OC)c1 137187343 GRRZYUKJGIMDEC-VOTSOKGWSA-N 272.300 3.285 10 1 CGCF COc1ccc(/N=N/c2c(-c3cccnc3)[nH][nH]c2=O)cc1 169723218 FGCRJUKBRKGTFT-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF COC(=O)c1ccc(/N=N\N2CCCCCC2)cc1 101403147 QJIFPFQVWMYNQT-NXVVXOECSA-N 261.325 3.348 10 1 CGCF O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1=O 1557229 KINGWWRTKHNRLY-HOCLYGCPSA-N 250.297 3.096 10 1 CGCF Cc1cc(C)c2c(/N=N\N3CCCCC3)n[nH]c2n1 101124767 JBICABPBRPGFNV-ZCXUNETKSA-N 258.329 3.059 10 1 CGCF Cc1ccc2c(c1)/C(=C\c1nc3ccccc3n1C)C(=O)N2 1772645806 NMYCUABSCDNITR-JLHYYAGUSA-N 289.338 3.374 10 1 CGCF CCn1c(O)c(/N=N/C2=NC(=O)CS2)c2ccccc21 13110726 MGJFLNQMMVRNBE-FOCLMDBBSA-N 288.332 3.080 10 1 CGCF COc1cc(CSc2ccc(O)cc2)cc(O)c1O 1856888 DXDCVORKZNEAQQ-UHFFFAOYSA-N 278.329 3.104 10 1 CGCF CC1=CCc2cc3c(cc21)C(=O)c1ccccc1C3=O 2356662114 CIUOHKFZFYOHEO-UHFFFAOYSA-N 260.292 3.421 10 1 CGCF C(=C/N1CCN(c2ccccn2)CC1)\N=N\c1ccccc1 45505959 RKHUDEHCZRMJID-DBGWUYGASA-N 293.374 3.459 10 1 CGCF COc1cc2c3c(c1)O[C@](C)(C(C)(C)N=[N+]=[N-])[C@@H](C2)C3=O 587430870 CHKXYILVUXMUCJ-BONVTDFDSA-N 287.319 3.290 10 1 CGCF O=C1c2ccccc2C(=O)c2c(-c3ccc(F)cc3)noc21 84705480 OUDZLIRKOXMYRS-UHFFFAOYSA-N 293.253 3.256 10 1 CGCF COc1ccc(C/C=C/c2ccc(O)c(O)c2)c(O)c1 137473789 JIXOYGPEWODAPR-NSCUHMNNSA-N 272.300 3.068 10 1 CGCF O=C(c1ccc(O)c(O)c1)c1cc2ccccc2o1 1772605606 QVPVIPBBHLHJJU-UHFFFAOYSA-N 254.241 3.075 10 1 CGCF Cc1nc2c(n1CCC(C)C)C(=O)c1ccccc1C2=O 13216715 ZXDUHLILVJMEQX-UHFFFAOYSA-N 282.343 3.013 10 1 CGCF CCN(CC)Cc1cc(/N=c2\ccn(C)cc2C)ccc1O 101794216 IVRZDYUKVXCNDV-HTXNQAPBSA-N 299.418 3.113 10 1 CGCF CCSC(=S)NCc1c[nH]c2ccccc12 28650779 OIISCGAKTFSDFP-UHFFFAOYSA-N 250.392 3.296 10 1 CGCF Oc1cc(O)c(O)c(/C=C/CCc2ccccc2)c1O 169685523 GFDNZBBKXLKELZ-WEVVVXLNSA-N 272.300 3.155 10 1 CGCF Cc1cc(Cl)cc2c(N=NC(N)=S)c(O)[nH]c12 261123505 JWOYEHHAFIQJFI-UHFFFAOYSA-N 268.729 3.163 10 1 CGCF Cc1cc(CN2CCOCC2)c(C)n1-c1ccc(F)cc1 1857649668 PSUYQMZVMBSNOH-UHFFFAOYSA-N 288.366 3.065 10 1 CGCF NCC/C=C1\c2ccccc2C[C@@H](O)c2ccccc21 100051666 PIEVJGJKDMQGSG-SPQRHKFCSA-N 265.356 3.057 10 1 CGCF endogenous,world COc1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O 1632371 JYLMHTHQKBETEO-UHFFFAOYSA-N 290.315 3.210 10 1 CGCF biogenic O=[N+]([O-])c1cccc(C/N=N/c2nccnc2Cl)c1 169691351 HSEMTFRYKPCNPG-FOCLMDBBSA-N 277.671 3.322 10 1 CGCF CC[C@@H](C)Cn1c(C)nc2c1C(=O)c1ccccc1C2=O 13215752 RWPQDVHNMXOKFE-SNVBAGLBSA-N 282.343 3.013 10 1 CGCF O=c1cc(-c2ccccc2)sc2cc(O)c(O)cc12 13604210 BHHOFNJMOMYBMU-UHFFFAOYSA-N 270.309 3.340 10 1 CGCF Cc1ccccc1[C@@H]1CC(c2ccc(O)cc2)=NN1C 96921815 LTKWSMIKJSNKPW-KRWDZBQOSA-N 266.344 3.482 10 1 CGCF O=C(O)[C@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]12 12318205 GLXGRTQDOFCAAZ-IOASZLSFSA-N 265.312 3.378 10 1 CGCF Oc1ccc(C(c2ccc(O)c(O)c2)c2ccco2)cc1O 205983825 DHEVADFRZGYWHP-UHFFFAOYSA-N 298.294 3.282 10 1 CGCF O=C(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1F 28713883 GMRRDQVLRFWXPQ-UHFFFAOYSA-N 282.192 3.309 10 1 CGCF in-vivo CCCCCCOC(=O)OCCc1ccc(O)c(O)c1 1857762118 GQHYZZDYEFRAQN-UHFFFAOYSA-N 282.336 3.374 10 1 CGCF COc1ccccc1NC1=NC(=O)/C(=C/C(C)C)S1 95755393 ISUUTYRCQWDFOF-WQLSENKSSA-N 276.361 3.276 10 1 CGCF COc1c(/C=C/Cc2ccccc2)ccc(O)c1O 238747380 FJBSNFVKUCFJSB-WEVVVXLNSA-N 256.301 3.362 10 1 CGCF O=C1C(=O)[C@@H](Cc2ccc(Cl)cc2)C(=O)c2ccccc21 169714715 BPOKDBHJHPRNRR-AWEZNQCLSA-N 298.725 3.147 10 1 CGCF CC(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 299832435 GIMDYLYESAVOQS-UHFFFAOYSA-N 290.727 3.380 10 1 CGCF O=C(O)C1=C(c2ccccc2)/C(=C/c2ccccc2)C(=O)O1 299828270 HXJRAGITJNXHBB-KAMYIIQDSA-N 292.290 3.123 10 1 CGCF Cc1ccc(C)n1-c1cccc(Br)c1N 587937436 RWRCKLHTUQIBCL-UHFFFAOYSA-N 265.154 3.439 10 1 CGCF O=C(O)[C@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]12 197878 GLXGRTQDOFCAAZ-WWGRRREGSA-N 265.312 3.378 10 1 CGCF Cc1c(O)c(O)cc2c1CCN(C)C[C@H]2c1ccccc1 26388901 RGQNHDCOLGRXMG-INIZCTEOSA-N 283.371 3.026 10 1 CGCF COc1cncc2nc(CCCCCCN=[N+]=[N-])[nH]c12 587259817 IUJCHEDZWAQMDJ-UHFFFAOYSA-N 274.328 3.380 10 1 CGCF CN1c2ccccc2CN2CCc3ccccc3[C@@H]21 95572482 LHJBHLMRUQBOHU-QGZVFWFLSA-N 250.345 3.193 10 1 CGCF CC[C@@H]1Cc2c(Cl)c(Cl)c(O)c(CN)c2C1 27651451 MCVFXSWOANSBCP-LURJTMIESA-N 260.164 3.283 10 1 CGCF Cc1cc2nc(-c3ccc(N(C)CCO)cc3)[nH]c2cc1C 587193021 PNZFJIRDWMSADU-UHFFFAOYSA-N 295.386 3.275 10 1 CGCF Cc1cc2c(C(C)C)cc(O)c(C=O)c2c(O)c1O 14777137 BQYOPXNBKAXXHM-UHFFFAOYSA-N 260.289 3.201 10 1 CGCF CCCN1CCC[C@@H]2c3cc(O)c(O)cc3CC[C@H]21 27556937 LQFFLZOXBCIHSQ-TZMCWYRMSA-N 261.365 3.002 10 1 CGCF CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1cccc(O)c1 102695909 CQKRKYXHDDNWHB-DVEDPGPFSA-N 294.314 3.267 10 1 CGCF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)c(O)c1O 587216080 SGUKDQACYQWYRE-UHFFFAOYSA-N 279.295 3.117 10 1 CGCF Cc1cc(O)c2c(c1)Oc1c(C)cc(O)c(O)c1O2 2356723743 SLUOGPAEXYFDPK-UHFFFAOYSA-N 260.245 3.318 10 1 CGCF CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@@H]2C=CC[C@@H]12 15952456 DDOANMDPLIQWEZ-HFAKWTLXSA-N 275.323 3.151 10 1 CGCF CC(=O)N[C@H](C)c1cc(Cl)c2ccccc2c1O 36380906 CONDPEQCANMNJP-MRVPVSSYSA-N 263.724 3.396 10 3 CGCF O=C(C=Cc1ccc(O)c(O)c1)OC=Cc1ccccc1 2356535118 XGUMNKCSVPNJHO-UHFFFAOYSA-N 282.295 3.325 10 1 CGCF COc1cc2c(cc1C)C(=O)C(=O)c1c(C)cc(O)cc1-2 2356862373 UZWRWTTUERXYNZ-UHFFFAOYSA-N 282.295 3.064 10 1 CGCF O=C1c2ccccc2-c2nnc3c(c21)-c1ccccc1C3 1857293 DXLRHOVMJIANEN-UHFFFAOYSA-N 270.291 3.259 10 1 CGCF COc1ccccc1C=CCc1ccc(O)c(O)c1OC 2356527305 CJELWTUJNJOMBG-UHFFFAOYSA-N 286.327 3.371 10 1 CGCF O=C1c2ccccc2-c2nnc(COc3ccccc3)cc21 14970093 FYSBXMGLLLBKBR-UHFFFAOYSA-N 288.306 3.267 10 1 CGCF in-vivo COc1ccc(/N=N/c2c(-c3ccncc3)[nH][nH]c2=O)cc1 169723219 CMJRGKYDMVQFTL-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF COc1ccccc1/C=C/Cc1ccc(O)c(O)c1OC 238789754 CJELWTUJNJOMBG-FNORWQNLSA-N 286.327 3.371 10 1 CGCF O=C1c2ccccc2-c2nnc(-c3cccc(F)c3)cc21 13743555 LLIKTCUHMORZPT-UHFFFAOYSA-N 276.270 3.494 10 1 CGCF Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3 5993 WWORPZXUCHHSOT-UHFFFAOYSA-N 292.342 3.168 10 1 CGCF CCC(=O)N[C@H](c1ccco1)c1ccc2cccnc2c1O 102581 JKBKQNZXRKNDJJ-INIZCTEOSA-N 296.326 3.149 10 1 CGCF CN1CCN(Cc2cc(C(C)(C)C)cc(Cl)c2O)CC1 27865239 BUHXWDGZIJVQNR-UHFFFAOYSA-N 296.842 3.091 10 1 CGCF CC(C)=C/C=C/c1cc(O)c2c(c1O)C(=O)CCC2=O 34124982 CZGHGTZWEOTTPP-HWKANZROSA-N 272.300 3.236 10 1 CGCF biogenic,in-vitro Cc1ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1C 587193035 QCIJWIXKJRCXOX-UHFFFAOYSA-N 295.386 3.275 10 1 CGCF Oc1ccc(CN2CC3C[C@H]4CC2C[C@@H](C3)C4)c(O)c1 225188117 TXWMYXKEDNXFLJ-DOOHLRMFSA-N 273.376 3.108 10 1 CGCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(C)cc1 13560424 OTKYBHJATNXEPG-SFHVURJKSA-N 294.354 3.398 10 1 CGCF c1ccc2c(c1)c1c(n2CCCN2CCCCC2)CNCC1 1857583176 ZQHJKMPSTYKCIZ-UHFFFAOYSA-N 297.446 3.163 10 1 CGCF COc1cccc2c3c(cnc12)C(=O)c1ccccc1C3=O 73221832 KQUGWTKIUDGQNM-UHFFFAOYSA-N 289.290 3.019 10 1 CGCF O=C(O)c1cc(-c2ccc3cc(O)c(O)cc3c2)ccc1O 1642258 KDDWCZCIYASQHC-UHFFFAOYSA-N 296.278 3.322 10 1 CGCF Cc1ccc(C(=O)c2ccccc2N[C@H](C)C(=O)O)cc1 53044972 LCIXUZWIFRQNCP-GFCCVEGCSA-N 283.327 3.111 10 1 CGCF C=C=Cn1ccc2c(Oc3ccc(N)cc3)ncnc21 95554290 ZQOADDILQOZQST-UHFFFAOYSA-N 264.288 3.061 10 1 CGCF S=C(NCc1ccncc1)SCc1ccccc1 169327311 DQWZEUMWNRADIY-UHFFFAOYSA-N 274.414 3.390 10 1 CGCF O=C(O)[C@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]12 13118290 INTFXNLMNVSVFC-VMAXQDLPSA-N 283.249 3.244 10 1 CGCF CC(C)[C@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@H]21 13154524 IPGTXKITVRJXEC-LALPHHSUSA-N 257.333 3.495 10 1 CGCF CCCCCc1cc(O)cc(O)c1[C@H]1CCCC(=O)N1 2356317866 XHOFQHLCUUMPTO-CYBMUJFWSA-N 277.364 3.172 10 1 CGCF C[C@@H](CNc1ccccc1C(=O)c1ccccc1)C(=O)O 28761588 WOPDMDRHDZDYHL-LBPRGKRZSA-N 283.327 3.050 10 1 CGCF Cc1cccc2c3c(cnc12)C(=O)c1ccccc1C3=O 82158246 CHQBWPJUQCHWGU-UHFFFAOYSA-N 273.291 3.319 10 1 CGCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(N)cc1 169687985 CIVIAZQVUFIMDF-VHEBQXMUSA-N 293.330 3.472 10 1 CGCF CC[C@H](C)Cn1c(C)nc2c1C(=O)c1ccccc1C2=O 5502290 RWPQDVHNMXOKFE-JTQLQIEISA-N 282.343 3.013 10 1 CGCF CCCN1CCC[C@H]2c3cc(O)c(O)cc3CC[C@H]21 253638036 LQFFLZOXBCIHSQ-GXTWGEPZSA-N 261.365 3.002 10 1 CGCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc[nH]3)S2)cc1 299838852 RHIMARAEDAPDSR-LCYFTJDESA-N 268.341 3.384 10 1 CGCF Nc1[nH]c(/N=N\C(=O)c2ccccc2O)c2ccccc12 102499215 SCYDQYGPLMLJPQ-HNENSFHCSA-N 280.287 3.380 10 1 CGCF Nc1ccc(OC(=O)Nc2cc(Cl)ccc2O)cc1 27313309 ZGCVMJPLVULKQX-UHFFFAOYSA-N 278.695 3.239 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1 96921808 YSQRQGMZNLYUQZ-MRXNPFEDSA-N 252.317 3.173 10 1 CGCF Cc1csc2ncnc(NCCc3ccc(N)cc3)c12 27873369 XOBPNABJRJJZNE-UHFFFAOYSA-N 284.388 3.237 10 1 CGCF O=C(/C=C\c1ccc(O)c(O)c1)O/C=C\c1ccccc1 238764847 XGUMNKCSVPNJHO-MNAJIYKBSA-N 282.295 3.325 10 1 CGCF CCN(CC)CCCn1c2c(c3ccccc31)CCNC2 1857568340 ADYOLYIDZDLKBA-UHFFFAOYSA-N 285.435 3.019 10 1 CGCF CC(C)c1cc(NS(C)(=O)=O)cc(C(C)C)c1O 3077779 LABXQPNZMAWYTG-UHFFFAOYSA-N 271.382 3.011 10 1 CGCF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1O 587215093 BALITLVUFNDHJA-UHFFFAOYSA-N 263.296 3.412 10 1 CGCF COc1cc(/C=C\c2nc3ccccc3[nH]2)cc(O)c1O 587786771 WXIQZKNTPKZIAH-SREVYHEPSA-N 282.299 3.153 10 1 CGCF Cc1c(CC[C@H](C)O)ccc2c1C(=O)c1ccccc1C2=O 14444868 IFOVHKGWNIARGG-NSHDSACASA-N 294.350 3.084 10 1 CGCF O=C(Cc1ccc(F)c(Cl)c1)c1ccc(O)c(O)c1O 1857654203 MRMXYEPXSJEOGV-UHFFFAOYSA-N 296.681 3.021 10 1 CGCF O=c1[nH]c(/N=N/Cc2ccc(F)cc2)nc2ccccc12 169692323 VXSUGBLSKXBLPE-LVZFUZTISA-N 282.278 3.346 10 1 CGCF O=C(O)c1cc(-c2ccc3c(O)c(O)ccc3c2)ccc1O 1642259 QJRMBVHUIFAURR-UHFFFAOYSA-N 296.278 3.322 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(F)c1 96921811 YJNXUJQSTUEYGU-INIZCTEOSA-N 270.307 3.312 10 1 CGCF c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 1857749932 LWZFMJZOOLLWCB-UHFFFAOYSA-N 294.398 3.039 10 1 CGCF CN1c2ccc(O)c(O)c2-c2cc(O)cc3c2[C@H]1CCC3 1657590 NBJKYQQKAMIUSO-GFCCVEGCSA-N 283.327 3.298 10 1 CGCF Cc1ccc(C(=O)c2ccccc2N[C@@H](C)C(=O)O)cc1 53044970 LCIXUZWIFRQNCP-LBPRGKRZSA-N 283.327 3.111 10 1 CGCF COc1cccc(-c2ccc(O)c(CN3CCCCC3)c2)n1 12152404 PHSKAPVXSDCLLD-UHFFFAOYSA-N 298.386 3.449 10 1 CGCF CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)O 4103212 UVWXNBIENIWIFI-UHFFFAOYSA-N 294.351 3.276 10 3 CGCF CNCC/C=C1/c2ccc(O)cc2C[C@H](O)c2ccccc21 473162418 AVWDSLYNHVKVAE-CWWGLNLWSA-N 295.382 3.023 10 1 CGCF O=c1c([N+](=O)[O-])cc(Cl)c[c-]1C/N=N/c1ccccn1 169689444 LDRFPYHTEQJQMW-FOCLMDBBSA-N 291.674 3.006 10 1 CGCF CN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1cc(O)c(O)cc12 299849074 PKBVXCJSVAJBQI-BEFAXECRSA-N 295.382 3.034 10 1 CGCF CCC(O)(CC)C(=O)/N=N\c1c(O)[nH]c2ccccc12 13120279 GVHNFVWSMDAHRL-MSUUIHNZSA-N 275.308 3.035 10 1 CGCF O=C1NC(=S)S/C1=C\c1cccc2ccsc12 1772644206 BQTRLDNYLGWEBO-TWGQIWQCSA-N 277.395 3.390 10 1 CGCF COC(=O)c1ccccc1/N=N\c1c(C)n[nH]c1C 101438017 NHZQLANCKJVMBX-MSUUIHNZSA-N 258.281 3.229 10 1 CGCF O=C1c2ccccc2-c2nnc(CCc3ccccc3)cc21 13743547 JLQGVMILXWDONR-UHFFFAOYSA-N 286.334 3.473 10 1 CGCF CN(C)c1ccc(/C=C\C=C\c2ccc[n+](C)c2)cc1 39931356 UAGWMIZGNLEPPF-DKBJKEKUSA-N 265.380 3.304 10 1 CGCF CCOC(=O)[C@H]1Nc2ccc(C)cc2[C@H]2C=CC[C@@H]12 15952470 RGNXIZHUUSNBBD-ZOWXZIJZSA-N 257.333 3.012 10 1 CGCF O=[N+]([O-])c1cnc(Sc2nc3ccccc3[nH]2)s1 32170831 XVEYPPFNMGAYCA-UHFFFAOYSA-N 278.318 3.079 10 1 CGCF CC(=O)N[C@@H](C)c1cc(Cl)c2ccccc2c1O 36388621 CONDPEQCANMNJP-QMMMGPOBSA-N 263.724 3.396 10 3 CGCF CCCNCc1c(O)ccc2[nH]c(-c3ccccc3)nc12 84604783 PTOSABMDJTWDLR-UHFFFAOYSA-N 281.359 3.435 10 1 CGCF COC(=O)/C=C(\C)N=Nc1c(O)[nH]c2ccccc12 253916653 ZJQQMGVOMXBHAS-OBNPEEKISA-N 259.265 3.034 10 1 CGCF CCOC(=O)c1cnc2c(cnn2CC)c1/N=N/C(C)C 169713040 BPNXQIJWKKPAJN-ISLYRVAYSA-N 289.339 3.120 10 1 CGCF CCOC(=O)[C@@H]1Nc2ccc(C)cc2[C@H]2C=CC[C@H]21 15952469 RGNXIZHUUSNBBD-YWPYICTPSA-N 257.333 3.012 10 3 CGCF Cc1cccc(/N=N/c2ccc(C3=NNC(=O)CO3)cc2)c1 1772646856 IUBDAOXYLZUNKO-ISLYRVAYSA-N 294.314 3.218 10 1 CGCF Nc1ccc(Nc2cc(O)c3ncccc3c2)cc1 36380963 VHAPIUIPTLNCQS-UHFFFAOYSA-N 251.289 3.266 10 1 CGCF Nc1ccc(Cn2cnc(-c3ccsc3)c2)cc1 14946210 LHODHAYQPAPVED-UHFFFAOYSA-N 255.346 3.242 10 1 CGCF O=C(Cc1ccc(Cl)cc1)c1cccc(O)c1O 1857773687 RPVHLRYNQMKEOJ-UHFFFAOYSA-N 262.692 3.177 10 1 CGCF Cc1c(O)c(O)cc2c1oc1c3ccccc3oc(=O)c21 8679943 YVPJUHAYXXDOPT-UHFFFAOYSA-N 282.251 3.412 10 1 CGCF CC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)C1CC1 36380877 MWBPUFDYIDUJIE-ZDUSSCGKSA-N 290.750 3.181 10 3 CGCF COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccccc1 169723248 NPLOHUPMKKUYFK-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF NCCc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1 98209624 DJIUQBSMFISUJY-ISLYRVAYSA-N 285.303 3.007 10 1 CGCF in-vitro O=C1C(=O)[C@H](Cc2ccc(Cl)cc2)C(=O)c2ccccc21 169714716 BPOKDBHJHPRNRR-CQSZACIVSA-N 298.725 3.147 10 1 CGCF COc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)oc(=O)c1 82150008 JWISZNPEUKLOBM-YDFGWWAZSA-N 297.354 3.441 10 1 CGCF Cc1cc(O)c2c(c1)N1CCCCN1[C@H]2c1ccc(O)cc1 2356869184 XJAVZNOLDWOJIA-SFHVURJKSA-N 296.370 3.326 10 1 CGCF Cc1ccc2oc(=O)c(-c3ccc(O)c(O)c3)cc2c1 96908579 UYGKNIJCEQYOBR-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF Cc1cc(C)c2c(c1O)[C@@H](N)[C@H](c1ccccc1)C2 26155636 JHVNHBFPJSLMTF-HOCLYGCPSA-N 253.345 3.349 10 1 CGCF O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1 84732600 BXECWMMWBPCAOY-UHFFFAOYSA-N 275.285 3.006 10 1 CGCF COC(=O)/C=C/c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 28823004 IDIKHMOAXXFZRI-RXUIJTJXSA-N 296.322 3.454 10 1 CGCF Cc1c(F)ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587192857 GXVJEOCALUEKKO-UHFFFAOYSA-N 299.349 3.106 10 1 CGCF CC(=O)[C@]1(/N=N/c2ccc(Br)cc2)N=C1C 103189398 LGEJFUHKSVANTM-AKCBPTIMSA-N 280.125 3.293 10 1 CGCF COc1cc(-c2cccs2)cc([C@H]2NCCS2)c1O 146875771 SPLWICNVGMBXDY-AWEZNQCLSA-N 293.413 3.464 10 1 CGCF c1cnc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2c1 28824591 PXDVYKILWWGVFG-UHFFFAOYSA-N 264.332 3.225 10 1 CGCF Cc1ccn2c3c(cc2c1)C(=O)c1ccccc1C3=O 84564504 GOEXGMDJZAOEAQ-UHFFFAOYSA-N 261.280 3.023 10 1 CGCF Cc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C)cc1 96921820 MFKWYYUBKVJOGN-QGZVFWFLSA-N 266.344 3.482 10 1 CGCF O=C1NN=C(CSc2ccccc2)/C1=C/c1ccccc1 66111535 ABANBBUZCRHSMW-PTNGSMBKSA-N 294.379 3.348 10 1 CGCF Cn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21 101753443 FKQLJFBWDKUXCR-FOCLMDBBSA-N 269.260 3.401 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2nc(Cl)c[nH]c-2n1 587259824 IVJNAVIYCWMFDQ-UHFFFAOYSA-N 279.735 3.371 10 1 CGCF CCCCCc1cc(O)cc(O)c1[C@@H]1CSCCN1 2356284412 ZLOXCTKPGVUSLL-ZDUSSCGKSA-N 281.421 3.208 10 1 CGCF O=C(O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 13118273 AXSHRZCSKZMLCK-LNLATYFQSA-N 299.248 3.124 10 1 CGCF O=C1c2ccccc2-c2nnc3c(c21)-c1ccccc1CC3 27299996 JRPTUWBXRMQHRP-UHFFFAOYSA-N 284.318 3.454 10 1 CGCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2cccc([N+](=O)[O-])c12 587647268 UAYNWPCUMUVCCT-UHFFFAOYSA-N 299.286 3.196 10 1 CGCF C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCCC1 1857766779 BUGUVHSCDUDEMZ-NSHDSACASA-N 295.338 3.212 10 1 CGCF O=C(C(=O)c1c(F)cccc1F)c1c(F)cccc1F 28713884 ZQTHCEAXUHQYSG-UHFFFAOYSA-N 282.192 3.309 10 1 CGCF in-vivo O=C(O)CCCCCCCCc1ccc(O)c(O)c1 14504193 MJUWOXCVAYZIAJ-UHFFFAOYSA-N 266.337 3.456 10 1 CGCF COc1cc(O)c(O)cc1C/C=C\c1ccccc1 14829622 BYBYXHQLGYTXAK-YVMONPNESA-N 256.301 3.362 10 1 CGCF CS(C)=C(C(=O)Cc1ccccc1)C(=O)c1ccccc1 40829087 VVUXVJJKXZQYHD-UHFFFAOYSA-N 298.407 3.382 10 1 CGCF CC(C)=CCc1c(O)c(O)c(O)c2c1OC(C)(C)CC2=O 1642676528 KHJFAEDCSXYHNK-UHFFFAOYSA-N 292.331 3.056 10 1 CGCF CCc1cc(O)c(O)cc1[C@H](C)c1ccc(O)c(O)c1 205292690 JDWQEAHNAPYMOX-SECBINFHSA-N 274.316 3.223 10 1 CGCF CSc1nncc([C@@H](C)/N=N/c2ccccc2)n1 169688842 QATFSGBDRUOOEI-HOBGCTPMSA-N 259.338 3.438 10 1 CGCF Cc1cccc([C@H]2COc3cc(O)c(O)cc3C2)c1 28875508 FIBYBKYAFBKXSE-CYBMUJFWSA-N 256.301 3.125 10 1 CGCF CC(C)C=CCCCCC(=O)NCc1ccc(O)c(O)c1 2356415944 BZSMUIBFQYJFOC-UHFFFAOYSA-N 291.391 3.487 10 1 CGCF Oc1cc2c(cc1O)[C@H]1C[C@@H](c3ccccc3)CN[C@@H]1CC2 95566159 WAQMRNIRKUUGDV-DJIMGWMZSA-N 295.382 3.273 10 1 CGCF Cc1ccc2c(c1O)CN1CN2Cc2c1ccc(C)c2O 103181098 BGXRVEJNNKZCRJ-UHFFFAOYSA-N 282.343 3.012 10 1 CGCF Cc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2cc1C 73291887 LSOVCXKVRRFRNI-UHFFFAOYSA-N 282.295 3.488 10 1 CGCF CCCN(CCC)[C@@H]1CCc2cccc(C(=O)C=[N+]=[N-])c2C1 28016973 BAGICMVGUMZBGU-OAHLLOKOSA-N 299.418 3.149 10 1 CGCF CCCN1Cc2ccccc2[C@@H](c2ccc(O)c(O)c2)C1 29237488 MROBEIKXMGEWEN-MRXNPFEDSA-N 283.371 3.455 10 1 CGCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccccc1F 96921773 RNLRVCHUYIQEGC-HNNXBMFYSA-N 286.306 3.018 10 1 CGCF Oc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1O 28010327 ARHOPMHKOMJLQF-HOTGVXAUSA-N 281.355 3.380 10 1 CGCF C[C@@H]1CCCc2c1ncc1c2C(=O)c2ccccc2C1=O 169306898 FBNPURBYGPWDMG-SNVBAGLBSA-N 277.323 3.297 10 1 CGCF NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5940422 CAFAFONOMYEYHO-UHFFFAOYSA-N 296.330 3.057 10 1 CGCF Cc1ccc(/N=N\c2c(=O)[nH]n3c(C)cc(C)nc23)cc1 18042946 FVVDYXLLNHGDOY-ZCXUNETKSA-N 281.319 3.363 10 1 CGCF O=C1C[C@H](c2ccccc2)[C@@H](c2ccccc2)C1=O 1557230 KINGWWRTKHNRLY-GDBMZVCRSA-N 250.297 3.096 10 1 CGCF CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(N)cc1 102507184 KCOBQGBIGCVBCR-RAJOGRCSSA-N 293.330 3.144 10 1 CGCF CN(C)c1ccc(/C=C2/C(=O)Nc3cc(F)ccc32)cc1 26819907 LOKIDPYAWKSLHG-OQLLNIDSSA-N 282.318 3.384 10 1 CGCF COc1cc(/C=C/c2nc3ccccc3[nH]2)cc(O)c1O 587786776 WXIQZKNTPKZIAH-VOTSOKGWSA-N 282.299 3.153 10 1 CGCF O=C1c2ccccc2C(=O)C1c1nccc2ccccc12 100450877 KXIAYOHGMQBMRT-UHFFFAOYSA-N 273.291 3.398 10 3 CGCF Cc1ccc([C@@H](C)CC=CC(C)(C)O)c(O)c1O 2356467675 ZTLNAPYLFAYUEJ-JTQLQIEISA-N 250.338 3.227 10 1 CGCF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN=[N+]=[N-])[C@@H]2CC1 95558435 KCENVRQELKAHAN-SYOCKBRASA-N 291.351 3.132 10 1 CGCF Nc1n[nH]c(N)c1/N=N\c1cccc(C(F)(F)F)c1 102693160 FYQUIQIJAHNRDC-MSUUIHNZSA-N 270.218 3.008 10 1 CGCF NC(=O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1 473114374 NFYNPVXFOIEJNS-UHFFFAOYSA-N 279.295 3.017 10 1 CGCF O=C(O)[C@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@H]12 102970679 GLXGRTQDOFCAAZ-XEZPLFJOSA-N 265.312 3.378 10 1 CGCF CCCCCc1cc(O)c([C@@H]2CCCC(=O)N2)c(O)c1 2356457364 NHOUFGRPNYJVEQ-LBPRGKRZSA-N 277.364 3.172 10 1 CGCF CCCN(CCC)[C@@H](C)Cc1ccc(O)c(O)c1 144060473 UOSRIAZVDBAAQQ-LBPRGKRZSA-N 251.370 3.151 10 1 CGCF Cc1cc(-c2nnco2)c(C)n1-c1ccc(F)cc1 3218357 PWXPFXNCRZELGH-UHFFFAOYSA-N 257.268 3.283 10 3 CGCF CCCCCCOC(=O)CCc1ccc(O)c(O)c1 58581654 NVWNLNKESZCCHF-UHFFFAOYSA-N 266.337 3.154 10 1 CGCF CN(C)CCc1cn(Cc2ccc(N)cc2)c2ccccc12 28884027 UHGXXHUSBPEPMM-UHFFFAOYSA-N 293.414 3.376 10 1 CGCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCN=[N+]=[N-])O2 587389059 ISODPFJLGITLPK-SECBINFHSA-N 260.297 3.002 10 1 CGCF O=C(C=Cc1ccc(O)c(O)c1)OCC=Cc1ccccc1 2356403346 GRZQNEYQRVPNRY-UHFFFAOYSA-N 296.322 3.368 10 1 CGCF CCc1cc(O)c(O)cc1-c1cc(O)c(O)cc1CC 205291879 DGJMPOLULNHMPP-UHFFFAOYSA-N 274.316 3.301 10 1 CGCF O=c1oc2ccc(Cl)cc2nc1/C=C(\O)c1ccco1 101594227 QKPZFMVTSNNDIS-XFFZJAGNSA-N 289.674 3.491 10 1 CGCF Oc1ccc(-c2ccc(Cn3ccnc3)cc2)cc1O 14946281 ZBAKMRUCOWLQHX-UHFFFAOYSA-N 266.300 3.010 10 1 CGCF Cc1cccc([C@H]2CC(c3ccc(O)cc3)=NN2C)c1 96921818 CSSWFQGROCXZGI-QGZVFWFLSA-N 266.344 3.482 10 1 CGCF COc1cc(/C=C\c2nc3cccc(C)c3[nH]2)cc(O)c1O 587784560 AGTORDNVFBZGCU-SREVYHEPSA-N 296.326 3.462 10 1 CGCF COc1ccc2c(c1)SC[C@H](c1ccc(O)c(O)c1)O2 169341218 IOQSBADQEMGURY-CQSZACIVSA-N 290.340 3.332 10 1 CGCF Oc1ccccc1C1=NN[C@H](c2ccccc2)S1 169691753 UWXGQRGGUPVMRB-ZDUSSCGKSA-N 256.330 3.089 10 1 CGCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1cccc(F)c1 96921776 VBXNHXIIDPROQX-OAHLLOKOSA-N 286.306 3.018 10 1 CGCF CCn1c(O)c(N=NC2=NC(=O)CS2)c2ccccc21 253915733 MGJFLNQMMVRNBE-UHFFFAOYSA-N 288.332 3.080 10 1 CGCF COc1ccc2c(c1)oc1c3cc(O)c(O)cc3oc(=O)c21 14778661 JVJBEMSYBFXOHE-UHFFFAOYSA-N 298.250 3.112 10 1 CGCF biogenic,in-vitro CCCCN(CCC)[C@@H]1CCc2cc(O)c(O)cc2C1 169323524 BMHRLSDJTCLSSN-OAHLLOKOSA-N 277.408 3.467 10 1 CGCF CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)ccc3n2)N1 110643768 RMRLOEXPTYDYDD-UHFFFAOYSA-N 295.390 3.300 10 1 CGCF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@@H]2C=CC[C@H]12 169303333 DDOANMDPLIQWEZ-JRPNMDOOSA-N 275.323 3.151 10 3 CGCF C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCCC1 1857766778 BUGUVHSCDUDEMZ-LLVKDONJSA-N 295.338 3.212 10 1 CGCF CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@H]2C=CC[C@H]12 59920146 DDOANMDPLIQWEZ-PGUXBMHVSA-N 275.323 3.151 10 1 CGCF CC(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45349358 SPTRCIWYIGWHOV-UHFFFAOYSA-N 290.322 3.462 10 1 CGCF C=Cc1ccc([C@H](c2ccccc2O)N2CCOCC2)cc1 1772599700 ZXEVMDWFJHECOX-LJQANCHMSA-N 295.382 3.457 10 1 CGCF Cc1ccc(C2=NC(=O)/C(=C/c3ccncc3)S2)cc1 299829644 HTYBVRLQKJWKJS-UVTDQMKNSA-N 280.352 3.451 10 1 CGCF CN(C)Cc1c(O)ccc2[nH]c(-c3cccc(F)c3)nc12 45595168 FVXMSPITUUZGBC-UHFFFAOYSA-N 285.322 3.136 10 1 CGCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2cc(F)ccc12 587635456 LVUWYXBNHCAULO-UHFFFAOYSA-N 272.279 3.427 10 1 CGCF CSN1C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]1c1ccccc1 28572225 CVLSMPRYYWMNIF-UWVGGRQHSA-N 264.310 3.137 10 1 CGCF CCCC[C@H]1CN(c2ccc(OC)c(OC)c2)CC[C@H]1N 28821813 DEDNGCQZFJUMFR-DZGCQCFKSA-N 292.423 3.048 10 1 CGCF COC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 253961022 JEKZOTXCRJKHLV-UHFFFAOYSA-N 298.096 3.486 10 1 CGCF COc1c(O)c(O)cc2ccc3cc(O)ccc3c12 14650849 YBJKNBNSKTTXKK-UHFFFAOYSA-N 256.257 3.118 10 1 CGCF biogenic,in-vitro Cc1ccsc1C/N=N/c1ncnc2nc[nH]c12 169690691 HTPOXWFNMKAUIG-WUKNDPDISA-N 258.310 3.007 10 1 CGCF CC1(C)Nc2ccc3c(c2N1)C(=O)c1ccccc1C3=O 39044827 AQHNRPFDVNECKG-UHFFFAOYSA-N 278.311 3.036 10 1 CGCF in-vivo COC(=O)c1ccccc1/N=N\c1c(C)noc1C 102761818 JOLVLDGOAGSSFP-PFONDFGASA-N 259.265 3.493 10 1 CGCF CCCCCC[C@H](N=N)c1csc(S(N)(=O)=O)c1 169714220 DZLCVUBVFABJKO-JTQLQIEISA-N 289.426 3.438 10 1 CGCF O=C1c2scc(-c3ccc(O)c(O)c3)c2-n2cccc21 8650 ZJGDMPPPYUACSI-UHFFFAOYSA-N 283.308 3.161 10 1 CGCF Cc1ccc(/N=N\c2c(N)nn3c(O)cc(C)nc23)cc1 102796031 GNPICRULBQPUIN-ZCXUNETKSA-N 282.307 3.049 10 1 CGCF CN(C)[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 26571922 IFDQCFBQHUVXHV-GJZGRUSLSA-N 283.371 3.106 10 1 CGCF O=C(/C=C/c1ccc(O)c(O)c1)O/C=C\c1ccccc1 238764874 XGUMNKCSVPNJHO-GLYMIEGHSA-N 282.295 3.325 10 1 CGCF O=c1cccc2oc(/C=C/c3ccc(O)c(O)c3)cc(O)c1-2 169692717 ONJDASRPUUDPMM-GQCTYLIASA-N 296.278 3.032 10 1 CGCF CN(C)[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 13557301 IFDQCFBQHUVXHV-HUUCEWRRSA-N 283.371 3.106 10 1 CGCF Cc1ccc(O)c([C@@H]2NC(=O)c3c(sc(C)c3C)N2)c1 174034 UGKBRNJIMWCHQW-CYBMUJFWSA-N 288.372 3.233 10 1 CGCF CCCN(CCC)[C@H](C)Cc1ccc(O)c(O)c1 144060675 UOSRIAZVDBAAQQ-GFCCVEGCSA-N 251.370 3.151 10 1 CGCF COc1c(C/C=C\c2ccccc2)ccc(O)c1O 211552139 WGXMQVRYJCAUFL-YVMONPNESA-N 256.301 3.362 10 1 CGCF O=[N+]([O-])c1cccc(N=Nc2ccc(O)cc2O)c1 263610186 VXGDALQPLLWULX-UHFFFAOYSA-N 259.221 3.421 10 1 CGCF COC(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 13122022 JEKZOTXCRJKHLV-YPKPFQOOSA-N 298.096 3.486 10 1 CGCF CCCCNCCCCCCN(CCCC)/[N+]([O-])=N/O 27560535 VFPWFOXSNSMVQQ-VLGSPTGOSA-N 288.436 3.305 10 1 CGCF CSC1(c2ccccc2)C(=O)c2ccccc2C1=O 28758572 NSBWXYHBSQPROW-UHFFFAOYSA-N 268.337 3.324 10 1 CGCF O=C1c2ccccc2C(=O)c2sc(-c3cscn3)nc21 1857770823 RWBMXRZKRYCMKJ-UHFFFAOYSA-N 298.348 3.042 10 1 CGCF O=[N+]([O-])c1ccc(/N=N/Cc2ccc3c(c2)OCO3)nc1 169692343 FFUYGMHHKGYUBB-FOCLMDBBSA-N 286.247 3.002 10 1 CGCF CCN1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1C3 29041746 CUNRTIQBXJTHDC-INIZCTEOSA-N 295.382 3.164 10 1 CGCF CCc1ccc(C2C(=O)c3ccccc3C2=O)cc1 102601588 LHFSGFVUPZHJEY-UHFFFAOYSA-N 250.297 3.412 10 3 CGCF COc1cc(O)c(O)cc1C/C=C/c1ccccc1 14829623 BYBYXHQLGYTXAK-VMPITWQZSA-N 256.301 3.362 10 1 CGCF Cc1c(-c2ccc(O)c(O)c2)n(C)c2ccc(O)cc12 169348625 IZVIQXAULWLTNV-UHFFFAOYSA-N 269.300 3.271 10 1 CGCF CN(C)c1ccc(-c2nc3c(s2)[C@H](O)CCC3)cc1 53298356 HMANXAFVUFXDNZ-CYBMUJFWSA-N 274.389 3.246 10 1 CGCF CCCNC(=O)c1cc2cc(C)c3ccccc3c2oc1=O 73160808 MXYKDQUGCRCZRB-UHFFFAOYSA-N 295.338 3.394 10 1 CGCF CC(C)c1cc(C(=O)c2ccccc2)c(O)c(O)c1O 29135659 DZEBXWALUCQUJM-UHFFFAOYSA-N 272.300 3.158 10 1 CGCF CN(C)CCSc1ncc(-c2ccccc2)s1 13589366 ZEXISAYDEQQUDY-UHFFFAOYSA-N 264.419 3.464 10 1 CGCF Nc1ccc(C[C@H]2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)cc1 96938716 OSXVPYQOIYICJC-FHLIZLRMSA-N 291.398 3.494 10 1 CGCF O=c1[nH]c(/N=N/Cc2ccccc2)nc2ccccc12 169690621 YXQCZPGFHQFIIO-KNTRCKAVSA-N 264.288 3.207 10 1 CGCF Cc1cc(C)n2nc(N)c(/N=N\c3ccccc3)c2n1 13144931 XZQIKWYPMKXWAY-ZCXUNETKSA-N 266.308 3.344 10 1 CGCF CC(C)[C@]1(N=[N+]=[N-])Oc2cc3oc(=O)ccc3cc2C1=O 473090509 WBSBNFMQHYIZJJ-AWEZNQCLSA-N 285.259 3.031 10 1 CGCF CCCN1CCC[C@@H]2c3ccc(O)c(O)c3CC[C@H]21 113367912 MGUPYRHMSYWCPU-TZMCWYRMSA-N 261.365 3.002 10 1 CGCF Cc1cccc(-c2cc3cc(O)c(O)cc3oc2=O)c1 87723192 AGORSMSHNJDPDG-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF CCC(C)(C)n1c(C)nc2c1C(=O)c1ccccc1C2=O 13215461 NBPDIQCIGBQUMK-UHFFFAOYSA-N 282.343 3.112 10 1 CGCF Oc1ccc(/N=N\c2ccc3c(c2)OCCO3)c(O)c1 13637817 WSTAZLFQFPBEJK-NXVVXOECSA-N 272.260 3.284 10 1 CGCF CCCN1CCC[C@@H]2c3ccc(O)c(O)c3CC[C@@H]21 113367359 MGUPYRHMSYWCPU-OCCSQVGLSA-N 261.365 3.002 10 1 CGCF CC1=NC(=O)[C@@H](/N=N\c2cccc(O)c2)N1c1ccccc1 102706170 CZUYVTIUFCKFLQ-IJYGLTAASA-N 294.314 3.267 10 1 CGCF Cc1cc(C)n2[nH]c(=O)c(/N=N\c3ccccc3)c2n1 102343796 PTFOPVVIQROFDJ-MSUUIHNZSA-N 267.292 3.055 10 1 CGCF CC[C@@H](c1ccc(O)c(OC)c1)c1cccc(O)c1O 72120111 SHJXYTKJNPPAHC-NSHDSACASA-N 274.316 3.354 10 1 CGCF Nc1ccc(Oc2ccc3nc([C@H](N)C4CC4)[nH]c3c2)cc1 587255771 QSWQHZLIAGTCHS-MRXNPFEDSA-N 294.358 3.347 10 1 CGCF Cc1ccc(Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 84741190 MDNFKSMUNQDUEM-UHFFFAOYSA-N 297.310 3.107 10 1 CGCF Cc1ccc2c(=O)n(C)c3c(c2c1)C(=O)c1ccccc1-3 28955781 PTUIVJOOBSKKAF-UHFFFAOYSA-N 275.307 3.058 10 1 CGCF CN(C)c1ccc(/C=C/c2ccc3nonc3c2)cc1 28648409 SMLSVWIZCPYFGD-ONEGZZNKSA-N 265.316 3.459 10 1 CGCF COc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)CC2 14806017 RFPAIRSYRWTZLD-OAHLLOKOSA-N 272.300 3.173 10 1 CGCF CCCN(CCC)C[C@H]1CCc2cc(O)c(O)cc21 29207469 ZYSHQGSOYBDFDU-CYBMUJFWSA-N 263.381 3.250 10 1 CGCF Nc1ncc(/N=N/c2cc(C(=O)O)ccc2Cl)s1 101712705 ZMHHNRAFSIISBK-CCEZHUSRSA-N 282.712 3.492 10 1 CGCF O=C(/C=C\c1ccc(O)c(O)c1)O/C=C/c1ccccc1 238764863 XGUMNKCSVPNJHO-NKTIYDDZSA-N 282.295 3.325 10 1 CGCF CCC(=O)N[C@@H](C)c1cc(Cl)c2cccnc2c1O 36388626 RMKDWFYBJLZQBD-QMMMGPOBSA-N 278.739 3.181 10 3 CGCF O=[S@](/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 169337028 OMRSMXKKEUZTSL-CSHXORCISA-N 274.341 3.017 10 1 CGCF Cc1nc2c(c3c1C(=O)c1ccccc1C3=O)CCCC2 169306900 HYKCNGWVUQZDJC-UHFFFAOYSA-N 277.323 3.044 10 1 CGCF O=C1c2ccccc2-c2nnc3c(c21)CCc1ccccc1-3 46951 CHTGJTJXFKZQPF-UHFFFAOYSA-N 284.318 3.454 10 1 CGCF Oc1cc2c(cc1O)[C@@H]1CCCN1C[C@H]2c1ccccc1 29229283 VXVHNAFGHKJICZ-HOTGVXAUSA-N 281.355 3.380 10 1 CGCF Cc1ccccc1[C@H]1CC(c2ccc(O)cc2O)=NN1C 96921780 BXCPXQFMCGYSKV-MRXNPFEDSA-N 282.343 3.187 10 1 CGCF Cc1cc(C)c2[nH]c(O)c(/N=N\C3=NC(=O)CS3)c2c1 102542290 CBAWVODPLFZBDI-MSUUIHNZSA-N 288.332 3.203 10 1 CGCF S=C1C(c2ccc(Cl)cc2)=S=C2C=CC=CN12 377806008 PBOGDDRICWIWIW-UHFFFAOYSA-N 277.801 3.450 10 1 CGCF CN1C=CC(=Cc2scc[n+]2C)c2ccccc21 1857542598 UBAZWPKLDMWGBH-UHFFFAOYSA-N 255.366 3.077 10 1 CGCF Nc1ccccc1C(=O)/N=N\c1[nH]c(N)c2ccccc12 12599541 YZKLYCQCWIDQRL-VXPUYCOJSA-N 279.303 3.256 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1F 96921810 GRAQJDUGZRFSIW-MRXNPFEDSA-N 270.307 3.312 10 1 CGCF CC(C)CCCOC(=O)CCc1ccc(O)c(O)c1 15113182 NYRGUJSEUJUXBF-UHFFFAOYSA-N 266.337 3.010 10 1 CGCF Cc1ccc(-n2nccc2-c2ccc(O)c(O)c2)cc1 49109965 SSEJMBFIWMCGKC-UHFFFAOYSA-N 266.300 3.259 10 1 CGCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646521 DUHTZIANJNVHBK-UHFFFAOYSA-N 299.286 3.196 10 1 CGCF CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(N)cc1 8686430 KCOBQGBIGCVBCR-IJYGLTAASA-N 293.330 3.144 10 1 CGCF Cc1nc2c(c3c1C(=O)c1ccccc1C3=O)CC[C@H](C)C2 169306903 HMXXBHVATQTXQJ-JTQLQIEISA-N 291.350 3.290 10 1 CGCF CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1cccc(O)c1 263591928 CQKRKYXHDDNWHB-HNNXBMFYSA-N 294.314 3.267 10 3 CGCF O=C1C2=Cc3ccccc3OCC2=NN1c1ccc(F)cc1 103256969 SWKKUZVQGOHCER-UHFFFAOYSA-N 294.285 3.004 10 1 CGCF CCCCCC[C@@H](N=N)c1csc(S(N)(=O)=O)c1 169714219 DZLCVUBVFABJKO-SNVBAGLBSA-N 289.426 3.438 10 1 CGCF CCCCCC[C@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1 26573749 HMYHFTUKXYGDQG-NHYWBVRUSA-N 279.380 3.009 10 1 CGCF O=C(Nc1nc2cc(O)c(O)cc2s1)C1CCCCC1 1857564435 SIOLSIVKRSWWGD-UHFFFAOYSA-N 292.360 3.226 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2ccc(C(=N)N)cc2[nH]1 587259132 AMTWITAEWQLZJA-UHFFFAOYSA-N 285.355 3.260 10 1 CGCF Cc1c(O)c(O)cc2c1CCN(C)C[C@@H]2c1ccccc1 26388897 RGQNHDCOLGRXMG-MRXNPFEDSA-N 283.371 3.026 10 1 CGCF Cc1ccc(/N=N/c2c(N)nn3c(O)cc(C)nc23)cc1 101944940 GNPICRULBQPUIN-ISLYRVAYSA-N 282.307 3.049 10 1 CGCF Cc1cccc([C@@H]2COc3c(ccc(O)c3O)C2)c1 96177636 PHLLTOYGGHVCAQ-ZDUSSCGKSA-N 256.301 3.125 10 1 CGCF Cc1ccc(O)c([C@H]2NC(=O)c3c(sc(C)c3C)N2)c1 174038 UGKBRNJIMWCHQW-ZDUSSCGKSA-N 288.372 3.233 10 1 CGCF O=C1C(=O)c2c(nc3ccc(Cl)cn23)-c2ccccc21 139806360 VZYGUWNBWRRBMX-UHFFFAOYSA-N 282.686 3.034 10 1 CGCF CCCCCC[C@@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1 13823826 HMYHFTUKXYGDQG-ABAIWWIYSA-N 279.380 3.009 10 1 CGCF Cc1ccc(O)c2[nH]c(-c3ccc(N(C)C)cc3)nc12 26278232 CXAFEQGNCLGOSY-UHFFFAOYSA-N 267.332 3.310 10 1 CGCF Oc1ccccc1CNc1ncccc1-c1ccccn1 621430398 UGAFNXQNCROMLW-UHFFFAOYSA-N 277.327 3.461 10 1 CGCF CN1CCc2cc(O)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21 29549773 AWVUOGSYHGHVNB-LPHOPBHVSA-N 295.382 3.032 10 1 CGCF COc1cc(O)ccc1N=NC(=O)Cc1ccccc1 2356343026 KMSOILCOVHEHCE-UHFFFAOYSA-N 270.288 3.254 10 1 CGCF CCCCCc1cc(O)c([C@H]2CCCC(=O)N2)c(O)c1 2356457363 NHOUFGRPNYJVEQ-GFCCVEGCSA-N 277.364 3.172 10 1 CGCF COc1cc(-c2cccs2)cc([C@@H]2NCCS2)c1O 146875584 SPLWICNVGMBXDY-CQSZACIVSA-N 293.413 3.464 10 1 CGCF Cc1cccc(-c2noc3c2C(=O)c2sccc2C3=O)c1 1857602540 FHGMKMQXDPKOGT-UHFFFAOYSA-N 295.319 3.487 10 1 CGCF CCN(CC)Cc1cc(/N=c2\ccn(C)c(C)c2)ccc1O 43063189 IUZXEUAHMCVIMM-HTXNQAPBSA-N 299.418 3.113 10 1 CGCF Cc1ccc(C(=O)OCC(C)C)cc1/N=N/N(C)C 17920715 ZTXLGUQTRAMUDP-FOCLMDBBSA-N 263.341 3.368 10 1 CGCF Oc1cc2c(cc1O)[C@H](c1cccc3ccccc13)NCC2 3728025 PXQFYDXFCIUBMQ-IBGZPJMESA-N 291.350 3.486 10 1 CGCF Cn1c(/C=C2/C(=O)Nc3ccc(F)cc32)nc2ccccc21 1772607177 RRVWGPIUGTWWIF-FMIVXFBMSA-N 293.301 3.205 10 1 CGCF Cc1n[nH]c(N)c1/N=N/c1ccc(Br)cc1 13120086 HZYNNKKJLFSZGP-CCEZHUSRSA-N 280.129 3.478 10 1 CGCF Oc1ccccc1C1=NN[C@@H](c2ccccc2)S1 169691752 UWXGQRGGUPVMRB-CYBMUJFWSA-N 256.330 3.089 10 1 CGCF Oc1ccc2c(c1O)Cc1c-2nc2cccc3c2c1CC3 587215746 MEFAHMOUJQABGE-UHFFFAOYSA-N 275.307 3.316 10 1 CGCF O=C1NC(=S)/C(=C/c2ccc3[nH]ccc3c2)S1 95557732 GZEAMQWISZFSLB-POHAHGRESA-N 260.343 3.293 10 1 CGCF Cc1ccccc1-c1noc2c1C(=O)c1sccc1C2=O 1857534522 UAGWMYCDYJACSJ-UHFFFAOYSA-N 295.319 3.487 10 1 CGCF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1ccco1 102546041 OJUZLPMHOJWBKE-NXVVXOECSA-N 255.233 3.391 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1F 96921809 GRAQJDUGZRFSIW-INIZCTEOSA-N 270.307 3.312 10 1 CGCF Oc1ccccc1Cn1c2ncccc2c2cccnc21 621430371 RLQVJNRLQQJKIE-UHFFFAOYSA-N 275.311 3.338 10 1 CGCF Cc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1F 587192940 LSMMMPRAMSOGPE-UHFFFAOYSA-N 299.349 3.106 10 1 CGCF Cn1c2c(c3ccc(Cl)cc3c1=O)C(=O)c1ccccc1-2 95584840 ZDGSSDWCLFEVQG-UHFFFAOYSA-N 295.725 3.403 10 1 CGCF O=[N+]([O-])c1ccc2oc(-c3ccc(O)c(O)c3)cc2c1 473117310 YLQCWDQMMOSFFX-UHFFFAOYSA-N 271.228 3.419 10 1 CGCF O=[N+]([O-])c1cnc(Sc2nc3ccccc3o2)s1 40900411 DDKBXUMEKKICEF-UHFFFAOYSA-N 279.302 3.344 10 1 CGCF COC1=C[C@@H](c2ccccc2)C(=O)C(=O)[C@@H]1c1ccccc1 101722681 AXYKUSLHKJFTSV-DOTOQJQBSA-N 292.334 3.236 10 1 CGCF CN(C)CCn1ccc2ccc(-c3cccnc3)cc21 13587948 BODASUORRGHPGV-UHFFFAOYSA-N 265.360 3.265 10 1 CGCF O=C(O)[C@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]12 1059699 INTFXNLMNVSVFC-DXBFQKDVSA-N 283.249 3.244 10 1 CGCF O=C(Cc1ccc(Cl)cc1)c1ccc(O)c(O)c1 49070930 UZNZMNICDDYNQV-UHFFFAOYSA-N 262.692 3.177 10 1 CGCF O=C1c2ccsc2C(=O)c2c(Br)cccc21 653784824 CIJCZYXXMOJCNO-UHFFFAOYSA-N 293.141 3.286 10 1 CGCF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(O)c(O)c1)C2 169364741 FFQWQIUQQDFRSS-YLVFBTJISA-N 290.359 3.469 10 1 CGCF C[C@@H]1[C@H]2CC[C@H]1[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C2 2356340520 RGEJEMGFNSZZCP-HBCZOZSTSA-N 288.343 3.089 10 1 CGCF CCCc1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O 13454714 CRPJRDSZFQFPNI-UHFFFAOYSA-N 296.322 3.129 10 1 CGCF CC(=O)[C@@]1(/N=N/c2cccc(Br)c2)N=C1C 103186951 JPWJSOSIUBTDGU-BFWGRDPESA-N 280.125 3.293 10 1 CGCF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccn2)c1 169723229 USPVAWQQDZIOMG-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF Cc1ccc(C(=O)c2ccccc2)c(N[C@H](C)C(=O)O)c1 53070601 JKQZQCXKRZPKCL-GFCCVEGCSA-N 283.327 3.111 10 1 CGCF Cc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2cc1C 73291884 MEWNLQBYUDSTSX-UHFFFAOYSA-N 298.294 3.194 10 1 CGCF COc1ccc(/N=N/Cc2ccc(O)c(O)c2)cc1 169721393 JIUXHMLOBZRYQV-FOCLMDBBSA-N 258.277 3.390 10 1 CGCF CCOC(=O)[C@@H]1Nc2ccc(C)cc2[C@@H]2C=CC[C@@H]12 15952467 RGNXIZHUUSNBBD-LALPHHSUSA-N 257.333 3.012 10 3 CGCF COc1ccc(-c2ccc(O)c(CN=O)c2)cc1F 169729556 PMSZIRMXQHNMQO-UHFFFAOYSA-N 261.252 3.473 10 1 CGCF CCN(CC)Cc1cc(Nc2ccncc2)ccc1O 40877904 ROITXKFFGQDVTF-UHFFFAOYSA-N 271.364 3.373 10 1 CGCF Oc1ccc(Cl)cc1Cn1cc(Cc2ccccc2)nn1 40934350 HTTPBLCYNOZHSE-UHFFFAOYSA-N 299.761 3.276 10 1 CGCF CC1(C)OC(=O)C(/N=N/c2ccc(Cl)cc2)=C(O)O1 101718797 ZYHXFNXYJNRLEF-CCEZHUSRSA-N 282.683 3.460 10 1 CGCF Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 19074 OHQFGIVFMUFZJP-BLLLJJGKSA-N 287.384 3.018 10 1 CGCF C[C@H]1[C@H]2CC[C@H]1[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C2 2356340519 RGEJEMGFNSZZCP-CNXAATOLSA-N 288.343 3.089 10 1 CGCF Oc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1O 29237528 ARHOPMHKOMJLQF-JKSUJKDBSA-N 281.355 3.380 10 1 CGCF Nc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccccc1 105092591 DWHQAQRALOBRLS-ISLYRVAYSA-N 279.303 3.163 10 1 CGCF Cc1ccc(N2N=C3COc4ccccc4C=C3C2=O)cc1 103256952 UJAFWFXIUJUDQS-UHFFFAOYSA-N 290.322 3.174 10 1 CGCF Cc1ccc(-c2cc3cc(O)c(O)cc3oc2=O)cc1 59145026 QKXGDIKKFAPHFJ-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF Cc1c(CC[C@@H](C)O)ccc2c1C(=O)c1ccccc1C2=O 14444866 IFOVHKGWNIARGG-LLVKDONJSA-N 294.350 3.084 10 1 CGCF Oc1cc2c(cc1O)[C@@H](c1cccc3ccccc13)NCC2 3728026 PXQFYDXFCIUBMQ-LJQANCHMSA-N 291.350 3.486 10 1 CGCF Cc1ccc(C2=NC(=O)/C(=C/c3[nH]cnc3C)S2)cc1 299839919 TYZLRTWQIUPZPF-QPEQYQDCSA-N 283.356 3.088 10 1 CGCF O=C1c2ccccc2C(=O)c2c1cnc1ccccc21 82158423 SLDGHYLJMSMWLM-UHFFFAOYSA-N 259.264 3.010 10 1 CGCF Oc1cc2cc(-c3c(O)c(O)cc4cc[nH]c34)[nH]c2cc1O 85591997 ZRACRUXIUBFFQC-UHFFFAOYSA-N 296.282 3.139 10 1 CGCF in-vitro Cc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)C2=O)cc1 28529394 RCKJCKSPUXFMLQ-KRWDZBQOSA-N 266.296 3.189 10 1 CGCF Cc1ccc(/N=N\C2=C(O)OC(C)(C)OC2=O)c(C)c1 102668509 XAIMMNFAFURVIC-NXVVXOECSA-N 276.292 3.424 10 1 CGCF Cc1cc(C)c2[nH]c(O)c(/N=N/C3=NC(=O)CS3)c2c1 101931307 CBAWVODPLFZBDI-WUKNDPDISA-N 288.332 3.203 10 1 CGCF CN(C)c1ccc(/C=C/C=C2\C(=O)Nc3ncccc32)cc1 474607882 KLWMYERGKGRVCC-QCWVPXHQSA-N 291.354 3.197 10 1 CGCF O=C1c2ccccc2-c2nncc(Cc3ccccc3)c21 27304515 UKKCGLHUHYFIKF-UHFFFAOYSA-N 272.307 3.279 10 1 CGCF Cc1cccc([C@@H]2COc3cc(O)c(O)cc3C2)c1 28875503 FIBYBKYAFBKXSE-ZDUSSCGKSA-N 256.301 3.125 10 1 CGCF Oc1ccc2c(c1)CCc1c(-c3ccc(O)c(O)c3)noc1-2 169348328 CLADDPQXBLSTPP-UHFFFAOYSA-N 295.294 3.224 10 1 CGCF Cc1c(CN2CCCC2)oc2c1C(=O)C(=O)c1ccccc1-2 169353277 NXETYVOWXWWKGQ-UHFFFAOYSA-N 295.338 3.230 10 1 CGCF Cc1ccc(C2=NC(=O)/C(=C/c3cccnc3)S2)cc1 299828059 GSRJEDXTENIVIZ-ZROIWOOFSA-N 280.352 3.451 10 1 CGCF O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2ccccc12 28650565 AOAPCTSWQZGRET-FNORWQNLSA-N 280.279 3.375 10 1 CGCF Fc1ccc(N2C[C@@H]3CNCCc4cccc2c43)cc1 28089305 JPDOPMUPXBQWBY-ZDUSSCGKSA-N 268.335 3.207 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2cccc(C(N)=O)c2[nH]1 587259979 LEKPIQPWFLBNNI-UHFFFAOYSA-N 286.339 3.075 10 1 CGCF CN(C)C/C=C(/c1ccc(N(C)C)cc1)c1ccccn1 29253514 BSQPGLNGAOVHCG-ATVHPVEESA-N 281.403 3.141 10 1 CGCF COC(=O)c1cc(O)c(O)c([C@@]2(C)CCCC2(C)C)c1 238754664 GBHHPTZARQQNFO-MRXNPFEDSA-N 278.348 3.352 10 1 CGCF COc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1 13743552 VMMVYTINFCBHDT-UHFFFAOYSA-N 288.306 3.364 10 1 CGCF COc1cc2c3c(c1)O[C@@](C)(C(C)(C)N=[N+]=[N-])[C@@H](C2)C3=O 587430881 CHKXYILVUXMUCJ-ZUZCIYMTSA-N 287.319 3.290 10 1 CGCF C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN=[N+]=[N-])[C@@H]2CC1 169291284 KCENVRQELKAHAN-KZDBHSQASA-N 291.351 3.132 10 1 CGCF Cc1ccc(N=NC2=C(O)OC(C)(C)OC2=O)c(C)c1 299813183 XAIMMNFAFURVIC-UHFFFAOYSA-N 276.292 3.424 10 1 CGCF O=C1c2ccccc2C(=O)c2cc3oc(=S)[nH]c3cc21 299827871 PZYSMUSBTHYQPA-UHFFFAOYSA-N 281.292 3.266 10 1 CGCF CC[C@H]1c2cccc3c2[C@@H](CNC3)c2ccc(O)c(O)c21 13479438 RPHXSTFLDZRMMM-FZMZJTMJSA-N 281.355 3.188 10 1 CGCF CC(C)Cn1ccc2c(Oc3ccc(N)cc3)ncnc21 95555789 KNWZFVNYNUJGHE-UHFFFAOYSA-N 282.347 3.462 10 1 CGCF COc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=S 1619529 DMOJVQSDXHCCRJ-UHFFFAOYSA-N 284.336 3.015 10 1 CGCF CCOC(=O)c1ccc(/N=N/N(C)CC(C)C)cc1 17837938 CSWFYXGAKRMLOJ-FOCLMDBBSA-N 263.341 3.450 10 1 CGCF O=C1c2ccsc2C(=O)c2c(-c3ccsc3)noc21 1857568588 TWOPVTCBURKDIY-UHFFFAOYSA-N 287.321 3.240 10 1 CGCF O=[N+]([O-])c1cccc(C/N=N/c2nc(O)cs2)c1 169723086 WPAAPTIPEIQZMH-ACCUITESSA-N 264.266 3.041 10 1 CGCF C[C-](CCC(=O)O)/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169693868 CKZGEGUCTYCJDU-OUKQBFOZSA-N 295.231 3.003 10 1 CGCF Oc1ccccc1CNCCc1c[nH]c2ccc(F)cc12 116923009 HOPNFICGWMVDGA-UHFFFAOYSA-N 284.334 3.345 10 1 CGCF Cc1ccc(N=Nc2c(N)nn3c(O)cc(C)nc23)cc1 253531078 GNPICRULBQPUIN-UHFFFAOYSA-N 282.307 3.049 10 1 CGCF CN1c2ccc(O)c(O)c2-c2cc(O)cc3c2[C@@H]1CCC3 5851580 NBJKYQQKAMIUSO-LBPRGKRZSA-N 283.327 3.298 10 1 CGCF Cc1ccccc1[C@@H]1CC(c2ccc(O)cc2O)=NN1C 96921779 BXCPXQFMCGYSKV-INIZCTEOSA-N 282.343 3.187 10 1 CGCF O=C1c2ccccc2-c2nnc(OCc3ccccc3)cc21 14970105 VGYKBVHPMKRWFA-UHFFFAOYSA-N 288.306 3.267 10 1 CGCF O=C1c2ccccc2-c2nnc3c(c21)Cc1ccccc1C3 1638976 UMKPYBCKYYEFNO-UHFFFAOYSA-N 284.318 3.183 10 1 CGCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(C)cc1 13560423 OTKYBHJATNXEPG-GOSISDBHSA-N 294.354 3.398 10 1 CGCF Cc1ccc(N=Nc2c(O)ccc3nn[nH]c23)cc1 261135394 LYJIGLUCSHCFJC-UHFFFAOYSA-N 253.265 3.387 10 1 CGCF CCOC(=O)[C@@H]1Nc2ccc(C)cc2[C@H]2C=CC[C@@H]21 59888708 RGNXIZHUUSNBBD-SLEUVZQESA-N 257.333 3.012 10 3 CGCF Oc1c(CN2CCSCC2)cc(Cl)c2cccnc12 96916537 ZYQCQCZKXYWSRP-UHFFFAOYSA-N 294.807 3.143 10 1 CGCF Cc1ccc([C@H](C)CC=CC(C)(C)O)c(O)c1O 2356467676 ZTLNAPYLFAYUEJ-SNVBAGLBSA-N 250.338 3.227 10 1 CGCF Cc1ccccc1[C@H]1CC(c2ccc(O)cc2)=NN1C 96921816 LTKWSMIKJSNKPW-QGZVFWFLSA-N 266.344 3.482 10 1 CGCF COc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2n1 587260320 RAAQDIOHDQNTNQ-UHFFFAOYSA-N 274.328 3.380 10 1 CGCF CCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 13862834 PXHKZCDUVCOPKT-UHFFFAOYSA-N 293.322 3.471 10 1 CGCF Cc1ccc(-c2coc3c(O)c(O)ccc3c2=O)cc1 6522795 OANWEBOHKLZIJJ-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF Cc1n(C(C)C)c2c([n+]1C(C)C)C(=O)c1ccccc1C2=O 1497030 QVAGIFOHDKGXCF-UHFFFAOYSA-N 297.378 3.021 10 1 CGCF CCC[C@@H](C)n1c(C)nc2c1C(=O)c1ccccc1C2=O 13215558 QJQFFLAMFYEEEG-SNVBAGLBSA-N 282.343 3.328 10 1 CGCF O=C(CC1CCCCC1)c1cc(O)c(O)c([N+](=O)[O-])c1 27755199 QBPMNOVMWLFZSG-UHFFFAOYSA-N 279.292 3.159 10 1 CGCF CCCC[C@@H](CN=[N+]=[N-])NS(=O)(=O)c1ccc(C)cc1 40879132 LEEOOTLTROSDFP-LBPRGKRZSA-N 296.396 3.142 10 1 CGCF CCn1nccc1NCc1ccc(N2CCCC2)cc1 95665647 NWIVNIYVNSMLDU-UHFFFAOYSA-N 270.380 3.115 10 1 CGCF O=C1c2ccsc2C(=O)c2c(-c3cccs3)noc21 1857616259 JWODEMRRQYYYGU-UHFFFAOYSA-N 287.321 3.240 10 1 CGCF Cc1cc2c(n1-c1ccc(C(=O)O)cc1)CCCC2 6751316 HDHJNAVPYMMPIP-UHFFFAOYSA-N 255.317 3.363 10 1 CGCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(C)(C)N=[N+]=[N-])O2 587390892 SIWJYTMEPGNGHV-AWEZNQCLSA-N 274.324 3.390 10 1 CGCF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccncc2)c1 169723231 MLOWFAUXLJJOIU-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF CC1=NC(=O)[C@H](/N=N\c2cccc(O)c2)N1c1ccccc1 102706168 CZUYVTIUFCKFLQ-RAJOGRCSSA-N 294.314 3.267 10 1 CGCF CSc1nc(O)c(/N=N\c2ccc(F)cc2F)c(O)n1 100381464 WARCUVVJOPINGX-MSUUIHNZSA-N 298.274 3.303 10 1 CGCF Oc1cc2c3c(ccc4cc(O)c(O)c(c43)CO2)c1 14651131 MTRFCDQKOSYOHP-UHFFFAOYSA-N 254.241 3.002 10 1 CGCF O=C1N[C@H]2CC=C[C@H]2N(Cc2cccs2)c2ccccc21 61959238 VLAJVVDDZDRWAX-GOEBONIOSA-N 296.395 3.195 10 3 CGCF S=C(CNCc1ccc2c(c1)OCO2)C1CCCC1 28104303 PEDKAFXPEUZAPQ-UHFFFAOYSA-N 277.389 3.065 10 1 CGCF COc1ccc2c(c1)[C@H](CC(=O)O)CN2Cc1ccccc1 45389577 KCMCHPLAMOCHAG-CQSZACIVSA-N 297.354 3.274 10 1 CGCF COc1cc(OC)c2c(ccc3cc(O)c(O)cc32)c1 6017948 MZHODDNWVOFAGX-UHFFFAOYSA-N 270.284 3.421 10 1 CGCF biogenic Nc1[nH]c(N=NC(=O)c2ccccc2O)c2ccccc12 253966816 SCYDQYGPLMLJPQ-UHFFFAOYSA-N 280.287 3.380 10 1 CGCF O=c1oc2ccccc2c2oc3c(F)c(O)c(O)cc3c12 1772649774 AGHVCTAADGNRRX-UHFFFAOYSA-N 286.214 3.243 10 1 CGCF COc1ccc([C@H](Cc2ccc(N)cc2)n2ccnc2)cc1 28232074 FFFBIUUGDRJGDN-SFHVURJKSA-N 293.370 3.306 10 1 CGCF Cn1c(O)c(N=NC(=O)c2ccco2)c2ccccc21 253977344 FKQLJFBWDKUXCR-UHFFFAOYSA-N 269.260 3.401 10 1 CGCF CCOC(=O)c1ccc(/N=N/c2cccc(O)c(=O)c2)cc1 1857757278 GTUKOLRQTSHBRV-ISLYRVAYSA-N 298.298 3.345 10 1 CGCF Nc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1 29554564 DRJKKIIXPYMQDO-UHFFFAOYSA-N 278.315 3.461 10 1 CGCF CC(C)(C)c1ccc(C2=S=C3C=CC=CN3C2=O)cc1 377806018 HJJHPCDSBBZICI-UHFFFAOYSA-N 283.396 3.293 10 1 CGCF O=C1c2ccccc2C(=O)C1c1nc2ccc(Cl)cc2[nH]1 957601985 ZWZJNCPGJYGMKS-UHFFFAOYSA-N 296.713 3.379 10 1 CGCF CC1(C)CC(=O)c2c(C(=O)Nc3ccc(N)cc3)coc2C1 63539350 HWVCCOSFFLSWTL-UHFFFAOYSA-N 298.342 3.269 10 1 CGCF CN(C)c1ccc(C2=C(c3ccccc3F)COC2=O)cc1 299836230 MXLKAVPCLLIMTM-UHFFFAOYSA-N 297.329 3.359 10 1 CGCF CN1CCC(Oc2ccc(N)cc2)(c2ccccc2)CC1 33874932 GNVZOTBLCYEIRW-UHFFFAOYSA-N 282.387 3.269 10 1 CGCF CCC1(CC)CC[C@H](C2=NCCN2)c2ccc(O)c(O)c21 29222007 KEYJYLDIVKHCBG-LBPRGKRZSA-N 288.391 3.035 10 1 CGCF Cc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1 1772573158 LMHRYDJCAIXEIS-VQHVLOKHSA-N 298.338 3.205 10 1 CGCF CCCN1Cc2ccccc2[C@H](c2ccc(O)c(O)c2)C1 29237482 MROBEIKXMGEWEN-INIZCTEOSA-N 283.371 3.455 10 1 CGCF Oc1ccc2c([nH]c3ccc(F)c4cncc2c34)c1O 87723409 TYYMFSFOBIQMIB-UHFFFAOYSA-N 268.247 3.420 10 1 CGCF CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)c1ccc(O)c(O)c1)C2 27313288 FFQWQIUQQDFRSS-PZSREKOKSA-N 290.359 3.469 10 1 CGCF Oc1ccc(-c2[nH]cnc2-c2ccccc2)cc1O 653852902 GHBUAFKIUWAVNT-UHFFFAOYSA-N 252.273 3.155 10 1 CGCF Clc1cccc(/N=N\N2CCOCC2)c1Cl 100404051 KIZLBDPJRYJKAF-YPKPFQOOSA-N 260.124 3.324 10 1 CGCF CN(C)c1ccc(-c2sc3cc(O)ccc3[n+]2C)cc1 38539054 NOVJJPLRUMZSDK-UHFFFAOYSA-O 285.392 3.164 10 1 CGCF in-vivo COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccncc2)cc1 169723239 FQLQOUWGMKHNNC-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF CC(C)c1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)cc1 29400639 BEQDBKQJGWFXQD-LBPRGKRZSA-N 260.297 3.446 10 1 CGCF Cc1cc(C(=O)CCC(=O)O)c(C)n1-c1ccc(F)cc1 95614963 GNRWSIUEZUQINP-UHFFFAOYSA-N 289.306 3.281 10 1 CGCF CCCC(=O)Nc1cc2c(s1)C(=O)c1ccccc1C2=O 1772590237 CHSOEDVOYSZWLA-UHFFFAOYSA-N 299.351 3.262 10 1 CGCF CC1=NC(=N)N=C(C)C1/N=N/c1ccc2[nH]c(C)nc2c1 5890864 GJCYCOUCOACHQW-SOUGYIBCSA-N 281.323 3.194 10 1 CGCF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1 169723238 KRHWSBXYWJHICK-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF Oc1ccc(-c2noc3c2CCc2cc(O)c(O)cc2-3)cc1 169348322 GPDZBQNCBXZAAI-UHFFFAOYSA-N 295.294 3.224 10 1 CGCF CC(C)(CO)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 34022720 CJRZFRLQNHKDCY-ZOWXZIJZSA-N 288.347 3.067 10 1 CGCF Oc1cc2c(cc1O)C[C@@H]1C=Cc3c(ccc(O)c3O)C1=C2 85569236 CCGIOUCMIMDPDE-VIFPVBQESA-N 294.306 3.249 10 1 CGCF biogenic,in-vitro C[C@H](CNc1ccccc1C(=O)c1ccccc1)C(=O)O 28761590 WOPDMDRHDZDYHL-GFCCVEGCSA-N 283.327 3.050 10 1 CGCF CN(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1 40949307 XZDKRJXCZKYDNA-ONEGZZNKSA-N 255.317 3.334 10 1 CGCF COc1ncccc1/C=C/c1ccc2ccccc2[n+]1C 1772604016 YGMFSGHHPRGZRS-UHFFFAOYSA-N 277.347 3.238 10 1 CGCF CC1=C(C)CC2(SC1)C(=O)c1ccccc1C2=O 1620165 NDPGKUQPOWJVQD-UHFFFAOYSA-N 258.342 3.278 10 1 CGCF CN1CCc2cc(O)c(O)c3c2[C@@H]1C[C@H]3c1ccccc1 1772610113 JZEITSKBLAVSNW-KBPBESRZSA-N 281.355 3.162 10 1 CGCF Cc1ccsc1C/N=N/c1cn[nH]c(=O)c1Cl 169694011 FOLADPCODIRUTA-BUHFOSPRSA-N 268.729 3.077 10 1 CGCF Cc1ccc(-c2nc3c(CNC4CC4)c(O)ccc3[nH]2)cc1 84604836 JDDKQLHULAGKTR-UHFFFAOYSA-N 293.370 3.496 10 1 CGCF N=C1N=NC(N)=C1/N=N/c1ccccc1C(F)(F)F 14965673 KJHMEAOMPGLBTJ-KGQVPBNKSA-N 268.202 3.360 10 1 CGCF in-vivo Oc1csc(/N=N/Cc2cc(Cl)ccc2O)n1 169723070 GMEOYAMZWIZJKH-WYMLVPIESA-N 269.713 3.492 10 1 CGCF COC(=O)/C=C(C)/N=N\c1c(O)[nH]c2ccccc12 102358098 ZJQQMGVOMXBHAS-IMNGKGHESA-N 259.265 3.034 10 1 CGCF CCn1c(O)c(/N=N\C2=NC(=O)CS2)c2ccccc21 102380320 MGJFLNQMMVRNBE-NXVVXOECSA-N 288.332 3.080 10 1 CGCF CCN(CC)[C@H](C)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857769092 OLBGJNGIKRGEBU-LLVKDONJSA-N 297.354 3.458 10 1 CGCF CCC(=O)N[C@H](C)c1cc(Cl)c2cccnc2c1O 36380889 RMKDWFYBJLZQBD-MRVPVSSYSA-N 278.739 3.181 10 3 CGCF CCC(CC)n1c(C)nc2c1C(=O)c1ccccc1C2=O 13215468 ZHDZHXHWWWRQQB-UHFFFAOYSA-N 282.343 3.328 10 1 CGCF Cc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O 1008960 UFIRBRVDZOZPNW-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF O=C(Cc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 6529329 AWNMAACWZSNOOV-UHFFFAOYSA-N 277.323 3.091 10 1 CGCF in-vitro CN(C)CCn1cc(Cc2ccc(N)cc2)c2ccccc21 28523582 WNZWUNAUHTVNOF-UHFFFAOYSA-N 293.414 3.376 10 1 CGCF O=C(NC1CCCC1)c1ccc(-c2ccc(O)c(O)c2)o1 40863092 UUZIUCDTOXNOHT-UHFFFAOYSA-N 287.315 3.030 10 1 CGCF CCOC(=O)c1ccc(NCCCc2ccc(N)cc2)cc1 29205594 IMYJVJDTCQTQLH-UHFFFAOYSA-N 298.386 3.490 10 1 CGCF Nc1ccc(Oc2ccc3nc([C@H]4CCOC4)[nH]c3c2)cc1 586912056 PINADAWYIPELRP-NSHDSACASA-N 295.342 3.441 10 1 CGCF C/C=C1/CN2CC[C@H]1C(=O)c1c(c3ccccc3n1C)C2 1857554091 DJPYHGQLQZCBNF-RYHWZFLVSA-N 280.371 3.143 10 1 CGCF Cc1cc(C)c2c(c1O)[C@@H](N)[C@@H](c1ccccc1)C2 26155644 JHVNHBFPJSLMTF-ZBFHGGJFSA-N 253.345 3.349 10 1 CGCF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@H]2C=CC[C@H]21 15952457 DDOANMDPLIQWEZ-FIXISWKDSA-N 275.323 3.151 10 3 CGCF Oc1ccc2c(c1)SC[C@H](c1ccc(O)c(O)c1)O2 169341211 GALVITWPPNSLNC-CYBMUJFWSA-N 276.313 3.029 10 1 CGCF Nc1ccc(CCN2CCC(c3ccc(N)cc3)CC2)cc1 26721545 KAGAFGCSUSCMOI-UHFFFAOYSA-N 295.430 3.273 10 1 CGCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1nccs1 299849265 DHFGPEKKZYFHOI-UHFFFAOYSA-N 285.332 3.346 10 1 CGCF Oc1cc2c(cc1O)[C@@H](c1ccc3ccccc3c1)NCC2 3690408 ZJOXSIQBIMKPDL-LJQANCHMSA-N 291.350 3.486 10 1 CGCF O=c1cc(/N=N\c2ccc(Cl)c(Cl)c2)nc(O)[nH]1 5833662 NYYDLONKIRRDKD-NXVVXOECSA-N 285.090 3.198 10 1 CGCF COc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2 14806014 RFPAIRSYRWTZLD-HNNXBMFYSA-N 272.300 3.173 10 1 CGCF biogenic,in-vitro COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@H]2c2ccccc2)cc1 44138385 VGSYRQWHQGIGGJ-HUUCEWRRSA-N 294.314 3.462 10 1 CGCF Oc1ccccc1C1(n2cncn2)C2CC3CC(C2)CC1C3 1857773072 ZRNXWJBFMYCFOM-UHFFFAOYSA-N 295.386 3.183 10 1 CGCF C[C@H]1CCCc2c1ncc1c2C(=O)c2ccccc2C1=O 169306899 FBNPURBYGPWDMG-JTQLQIEISA-N 277.323 3.297 10 1 CGCF C[C@H]1[C@H]2CC[C@H]1[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C2 2356340522 RGEJEMGFNSZZCP-VFFTVRQLSA-N 288.343 3.089 10 1 CGCF Cc1cccc(-c2coc3c(O)c(O)ccc3c2=O)c1 28875619 LMOHOVNLHFEKAC-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF CCOC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 95615482 BFRWWAGLFICHEG-UHFFFAOYSA-N 261.296 3.410 10 1 CGCF CC(C)=CC=Cc1cc(O)c2c(c1O)C(=O)CCC2=O 2356646457 CZGHGTZWEOTTPP-UHFFFAOYSA-N 272.300 3.236 10 1 CGCF CCCCCNC1=NC(=O)/C(=C/c2ccc(O)cc2)S1 95563759 COIKFVKNFJREAF-RAXLEYEMSA-N 290.388 3.142 10 1 CGCF CC(C)(C)c1cc(Cl)c(O)c(C[n+]2ccc(N)cc2)c1 27853449 DCBCTHJEZVJVPZ-UHFFFAOYSA-O 291.802 3.261 10 1 CGCF Cc1ccc([C@H]2CC(c3ccc(O)cc3O)=NN2C)cc1 96921784 NUNCAFOYGRAGIN-MRXNPFEDSA-N 282.343 3.187 10 1 CGCF Oc1cccc(-c2ccc3c(O)c(O)ccc3c2)c1O 53314620 BYZVMPZTQDCIPB-UHFFFAOYSA-N 268.268 3.329 10 1 CGCF CCCc1cc(O)cc2c1C(=O)c1c(OC)cccc1C2=O 2356632992 XCHJILRDHPDNIO-UHFFFAOYSA-N 296.322 3.129 10 1 CGCF CCCCCCN(C)/N=N/c1ccc(C(N)=O)cc1 27993610 WNRHMOSHCSEYPE-WUKNDPDISA-N 262.357 3.296 10 1 CGCF CCCN(CCC)[C@H]1CCc2cccc(C(=O)C=[N+]=[N-])c2C1 28016977 BAGICMVGUMZBGU-HNNXBMFYSA-N 299.418 3.149 10 1 CGCF COc1c(O)cc(C)cc1Oc1cc(C)cc(O)c1O 2356719181 PXOGPYHSMNCNDD-UHFFFAOYSA-N 276.288 3.221 10 1 CGCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2cccc(F)c12 587635790 SOAZJQZCVRTZIF-UHFFFAOYSA-N 272.279 3.427 10 1 CGCF Cc1c(O)cc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1C 64549428 GZCNBAXKLNVASR-UHFFFAOYSA-N 298.294 3.194 10 1 CGCF Cc1csc(N=Nc2ccc(N(C)C)cc2)[n+]1[O-] 254129655 WZSSFAANMFERST-UHFFFAOYSA-N 262.338 3.171 10 3 CGCF CCCCCc1cc(O)cc(O)c1[C@H]1CSCCN1 2356284411 ZLOXCTKPGVUSLL-CYBMUJFWSA-N 281.421 3.208 10 1 CGCF Nc1ccc(Oc2ccc3nc([C@H]4CC[C@@H]4N)[nH]c3c2)cc1 587245984 AKFFTAOBVZEYFD-KBPBESRZSA-N 294.358 3.142 10 1 CGCF Oc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1O 28010331 ARHOPMHKOMJLQF-CVEARBPZSA-N 281.355 3.380 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2cc(N)c(N)cc2[nH]1 587260605 VTMCWXCFZSIZRX-UHFFFAOYSA-N 273.344 3.141 10 1 CGCF Cc1ccc(C)c2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587193062 RFLLLWCMCFXIAQ-UHFFFAOYSA-N 295.386 3.275 10 1 CGCF CCCN(CCC)C[C@H]1CCc2c1ccc(O)c2O 29209054 VFMWRAMNGHDSBN-GFCCVEGCSA-N 263.381 3.250 10 1 CGCF COC(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N 1857588875 YVNDCZIAPNBGIC-UHFFFAOYSA-N 286.356 3.435 10 1 CGCF CCCC[C@@H]1CN(c2ccc(OC)c(OC)c2)CC[C@H]1N 28821814 DEDNGCQZFJUMFR-UKRRQHHQSA-N 292.423 3.048 10 1 CGCF C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@H]1CC[C@@H]2O 44963530 QOZFCKXEVSGWGS-GTQMNPBKSA-N 288.387 3.315 10 1 CGCF endogenous,in-man C[C@@H]1[C@H]2CC[C@H]1[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C2 2356340521 RGEJEMGFNSZZCP-QZDOHJIMSA-N 288.343 3.089 10 1 CGCF O=C(C(=O)c1cc(F)ccc1F)c1cc(F)ccc1F 28713887 IWSRHXHMXUIXCZ-UHFFFAOYSA-N 282.192 3.309 10 1 CGCF in-vivo Oc1ccc(-c2csc3nc(O)c4cccn4c23)cc1O 40651168 KMLUKQCUBBECCV-UHFFFAOYSA-N 298.323 3.333 10 1 CGCF COc1ccc2ncc3c(c2c1)C(=O)c1ccccc1C3=O 73219290 KRVDHVZODADAGM-UHFFFAOYSA-N 289.290 3.019 10 1 CGCF CC(C)c1ccc(N2C[C@@H](CN=[N+]=[N-])OC2=O)cc1 29400636 BEQDBKQJGWFXQD-GFCCVEGCSA-N 260.297 3.446 10 1 CGCF CC1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2O)C1 71332275 IGRDRFMFJVAIOP-HNNXBMFYSA-N 280.327 3.355 10 1 CGCF COc1ccc2c(c1)N(C)/C(=C\c1cccc[n+]1C)S2 188628 AXGREXGLBJREGM-UHFFFAOYSA-N 285.392 3.060 10 3 CGCF Oc1cc(O)c2ccc(-c3ccc(O)c(O)c3)[o+]c2c1 897637 GDNIGMNXEKGFIP-UHFFFAOYSA-O 271.248 3.203 10 1 CGCF in-man COC(=O)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 28822998 MKDRTGMZPACHKF-NSCUHMNNSA-N 270.284 3.055 10 1 CGCF CCOc1ccc2nc3cc(NC(C)=O)ccc3c(N)c2c1 196371384 YAOXZWXPLZFKCW-UHFFFAOYSA-N 295.342 3.327 10 1 CGCF COC(=O)/C(=C/c1ccccc1Cl)CN=[N+]=[N-] 95559256 YDLIORLISOSPPN-RMKNXTFCSA-N 251.673 3.207 10 1 CGCF CC1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2O)C1 71332277 IGRDRFMFJVAIOP-OAHLLOKOSA-N 280.327 3.355 10 1 CGCF CN1CCc2cc(O)c(O)c3c2[C@H]1C[C@H]3c1ccccc1 1772610116 JZEITSKBLAVSNW-UONOGXRCSA-N 281.355 3.162 10 1 CGCF Cn1c(/C=C2/C(=O)Nc3ccccc32)nc2ccccc21 1772640102 UKWXQKSSJMEKDT-ZRDIBKRKSA-N 275.311 3.066 10 1 CGCF CCc1ccc(CC)n1-c1cc(O)cc(C(=O)O)c1 587926949 ROOJWJFKPIXZFO-UHFFFAOYSA-N 259.305 3.006 10 1 CGCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCC1CCCC1 1857582971 RJLAPSJADIRNQA-CSKARUKUSA-N 296.388 3.064 10 1 CGCF O=[N+]([O-])c1cnc(Sc2nc3ncccc3s2)s1 40980264 VVQDSJZEYRYHGG-UHFFFAOYSA-N 296.358 3.207 10 1 CGCF CN(C)c1ccc(-c2nc3ccc(F)nc3o2)cc1 95558568 WBXZKBMJOVTHPJ-UHFFFAOYSA-N 257.268 3.095 10 1 CGCF Cc1cccc([C@@H]2CC(c3ccc(O)cc3)=NN2C)c1 96921817 CSSWFQGROCXZGI-KRWDZBQOSA-N 266.344 3.482 10 1 CGCF Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1 17328369 DWHQAQRALOBRLS-UHFFFAOYSA-N 279.303 3.163 10 1 CGCF CCc1ccccc1C1C(=O)c2ccccc2C1=O 102973010 LCAYUWRPSSQIDC-UHFFFAOYSA-N 250.297 3.412 10 3 CGCF Cc1ccn2c3c(c(C)c2c1)C(=O)c1ccccc1C3=O 82157948 YXOSRPLXMRWYLY-UHFFFAOYSA-N 275.307 3.332 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2ccc(CO)cc2[nH]1 587260610 WBKIPSBQZYBNPL-UHFFFAOYSA-N 273.340 3.468 10 1 CGCF O=C1c2ccsc2C(=O)c2c(-c3ccccc3F)noc21 1857578959 ODUYMZZGCGDTIR-UHFFFAOYSA-N 299.282 3.318 10 1 CGCF Cn1c(Sc2ncc([N+](=O)[O-])s2)nc2ccccc21 40430690 DDBWGXCAAUZVFI-UHFFFAOYSA-N 292.345 3.089 10 1 CGCF O=C(O)c1cc(/N=N\c2ccccc2C(=O)O)ccc1O 13761337 BIMRBTZQYOQFBD-NXVVXOECSA-N 286.243 3.204 10 1 CGCF O=c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)cccc1O 1857763196 OTEPDZSWTHBFJN-CCEZHUSRSA-N 271.232 3.076 10 1 CGCF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(O)c(O)c1)C2 101150428 FFQWQIUQQDFRSS-KHIZAZIESA-N 290.359 3.469 10 1 CGCF CCOc1ccc([C@H]2CC(c3ccccc3O)=NN2)cc1 120710 FRGUMOXJCPYXMH-OAHLLOKOSA-N 282.343 3.230 10 1 CGCF Cc1nc(C(C)(C)C)cc2c1C(=O)c1ccccc1C2=O 96934758 AHFVZBMKHKCKES-UHFFFAOYSA-N 279.339 3.463 10 1 CGCF CC/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 28352760 NUJAOLKIYZDFDT-WMZJFQQLSA-N 293.369 3.043 10 1 CGCF O=c1c(/C=C/c2ccc(O)c(O)c2)coc2ccc(O)cc12 1772632169 RQKPOPSTVAPUFS-HNQUOIGGSA-N 296.278 3.080 10 1 CGCF Clc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1 169690693 DBYZGTSSINKTAX-VHEBQXMUSA-N 272.699 3.290 10 1 CGCF C[C@H](COc1ccccc1)/N=N/c1nc(O)cs1 169728446 UXUUVYNIDODIRZ-ASLCJXLESA-N 263.322 3.400 10 1 CGCF Oc1cc2c(cc1O)[C@H](c1ccc3ccccc3c1)NCC2 3690407 ZJOXSIQBIMKPDL-IBGZPJMESA-N 291.350 3.486 10 1 CGCF CC1=NN(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2O)C1 653727930 PZDDLABIQXWSJK-OAHLLOKOSA-N 298.317 3.494 10 1 CGCF COc1cc(C(=O)O)c2oc3c(O)c(O)cc(C)c3c2c1 200527863 ZCQTZTJLYWJXFU-UHFFFAOYSA-N 288.255 3.012 10 1 CGCF Cc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95584877 GCKGMJTXKYWKBR-UHFFFAOYSA-N 275.307 3.058 10 1 CGCF Fc1nc(F)c(F)c(/N=N/Cc2ccncc2)c1F 169690376 LGCRGBNKGDSZFG-HTXNQAPBSA-N 270.189 3.317 10 1 CGCF Oc1cc2c(cc1O)-c1c(cnn1-c1ccccc1)CC2 169337809 XWVWWDYNSZGBNY-UHFFFAOYSA-N 278.311 3.049 10 1 CGCF CN(C)c1ccc(/C=C2\CCN=C2c2cccnc2)cc1 103186223 MBQYGNKWDUYWGR-NTCAYCPXSA-N 277.371 3.424 10 1 CGCF COc1c(O)c(C)cc2cc3ccc(O)c(O)c3cc12 6070490 GVJNFRCGHWWBED-UHFFFAOYSA-N 270.284 3.427 10 1 CGCF biogenic COc1cc(O)cc(C)c1Oc1cc(C)cc(O)c1O 2356328329 SKWVXOMBJYSIDG-UHFFFAOYSA-N 276.288 3.221 10 1 CGCF CCOc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1 274484 CWOZZNBMQSEEAL-GDNBJRDFSA-N 293.322 3.462 10 3 CGCF CCc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2 13603411 CMTLMUAHYIMWAR-VQIMIIECSA-N 295.382 3.210 10 1 CGCF CC1=NN=C(C)C1/N=N/c1ccc2[nH]c(C)nc2c1 5890866 OJIDFSXLVISQLH-VHEBQXMUSA-N 254.297 3.174 10 1 CGCF COc1cc2ccc3cc(O)c(O)cc3c2c(OC)c1O 14650723 CMKDZSQBUPZJKC-UHFFFAOYSA-N 286.283 3.127 10 1 CGCF Nc1ncc(N=Nc2cc(C(=O)O)ccc2Cl)s1 253978922 ZMHHNRAFSIISBK-UHFFFAOYSA-N 282.712 3.492 10 1 CGCF COc1cc(C=Cc2cccc(O)c2O)cc(OC)c1 2356491204 GRRZYUKJGIMDEC-UHFFFAOYSA-N 272.300 3.285 10 1 CGCF COC(=O)/C=C/c1ccc(NCc2ccccc2O)cc1 653882326 LGYBHYXIFSXEMK-DHZHZOJOSA-N 283.327 3.191 10 1 CGCF C[C@H](O)[C@@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@H]32 2356507812 HQTLEKPEIKFCPQ-FASAQXTFSA-N 296.414 3.105 10 1 CGCF Oc1c(O)c(-c2ccccc2)c2c(c1Cl)CCNCC2 29563285 UTYGAAJMSHGRCT-UHFFFAOYSA-N 289.762 3.106 10 1 CGCF Cc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C)cc1 96921819 MFKWYYUBKVJOGN-KRWDZBQOSA-N 266.344 3.482 10 1 CGCF COc1ccc2c(c1)[n+](=O)c1c3ccccc3ccc1n2O 377819884 FPIOPNSLCLNBHG-UHFFFAOYSA-N 293.302 3.108 10 1 CGCF CCCC[C@@]1(N=[N+]=[N-])C(=O)c2cccc3c2N(CCC3)C1=O 73353838 KVSUIQWDNDCEMW-MRXNPFEDSA-N 298.346 3.401 10 1 CGCF COc1ccc(/N=N/Cc2cccc(O)c2O)cc1 169721400 PNNXJGMMTRDMMP-FOCLMDBBSA-N 258.277 3.390 10 1 CGCF CCn1cnc2cc(NCc3ccccc3O)ccc21 423342 QPYIXXMONBUBMN-UHFFFAOYSA-N 267.332 3.374 10 1 CGCF CC[C@H]1Cc2c(Cl)c(Cl)c(O)c(CN)c2C1 27651455 MCVFXSWOANSBCP-ZCFIWIBFSA-N 260.164 3.283 10 1 CGCF O=c1c(-c2ccccc2F)coc2c(O)c(O)ccc12 1857774894 QIENXZYIZNTDKP-UHFFFAOYSA-N 272.231 3.010 10 1 CGCF O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCO)c12 6117610 JDGFSJJFVQICMI-UHFFFAOYSA-N 297.314 3.091 10 1 CGCF Oc1cccc(CCNc2ccnc3ccccc23)c1O 168765994 ILQBRTBSMSYFMP-UHFFFAOYSA-N 280.327 3.301 10 1 CGCF COc1ccn2c3c(c(C)c2c1)C(=O)c1ccccc1C3=O 73223752 WGERHHQAHNHDED-UHFFFAOYSA-N 291.306 3.032 10 1 CGCF O=C(O)c1cc(O)c(O)c2c1c([N+](=O)[O-])cc1ccccc12 13335559 LTJQUBUPNMQGJL-UHFFFAOYSA-N 299.238 3.011 10 1 CGCF Oc1cc2c(cc1CNc1ccccc1)OCCC2 28007054 FSACUVOSOQPXIV-UHFFFAOYSA-N 255.317 3.329 10 1 CGCF C/[N+](=N\Nc1cccc([N+](=O)[O-])c1)c1ccccc1 169691678 DKMHSWCFQGQCIK-UHFFFAOYSA-O 257.273 3.348 10 1 CGCF Cc1ccccc1-c1cc2cc(O)c(O)cc2oc1=O 89464439 OQIBTWYMUVSKGQ-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF COc1ccc([C@@H](Cc2ccc(N)cc2)n2ccnc2)cc1 28232070 FFFBIUUGDRJGDN-GOSISDBHSA-N 293.370 3.306 10 1 CGCF CCCCCc1cc(O)cc(O)c1[C@@H]1CCCC(=O)N1 2356317867 XHOFQHLCUUMPTO-ZDUSSCGKSA-N 277.364 3.172 10 1 CGCF Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 13762048 OHQFGIVFMUFZJP-WBMJQRKESA-N 287.384 3.018 10 1 CGCF CC1=NN(c2ccccc2)C(=O)/C1=C/NC1CCCCC1 103792477 PVGFWWVMEOVCOQ-FOWTUZBSSA-N 283.375 3.215 10 3 CGCF C[C@H](O)[C@@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@@H]32 2356507813 HQTLEKPEIKFCPQ-MJXNMMHHSA-N 296.414 3.105 10 1 CGCF CC[C@H](c1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 72142916 OTLAADMCZYSNQL-GFCCVEGCSA-N 274.316 3.354 10 1 CGCF O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1=O 1557231 KINGWWRTKHNRLY-GOEBONIOSA-N 250.297 3.096 10 1 CGCF C[C@@H]1O[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586916761 DCZSKWLITHHALV-BJOHPYRUSA-N 281.315 3.397 10 1 CGCF Cc1cnn(-c2cc(/N=N/Cc3cccc(F)c3)ncn2)c1 169691204 RQFZMFXBEXMYPF-XUTLUUPISA-N 296.309 3.394 10 1 CGCF CC1=NC(=O)[C@H](N=Nc2cccc(O)c2)N1c1ccccc1 263592248 CZUYVTIUFCKFLQ-OAHLLOKOSA-N 294.314 3.267 10 3 CGCF CC1=NN(c2ccccc2)C(=O)[C@@H]1N=Nc1cccc(O)c1 263591929 CQKRKYXHDDNWHB-OAHLLOKOSA-N 294.314 3.267 10 3 CGCF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN=[N+]=[N-] 13603388 RRGGXNFCDOKHET-DZGCQCFKSA-N 272.352 3.123 10 1 CGCF CCCC[C@H]1CN(c2ccc(OC)c(OC)c2)CC[C@@H]1N 28821812 DEDNGCQZFJUMFR-ZFWWWQNUSA-N 292.423 3.048 10 1 CGCF CCN(CC)C(=O)c1ccc(C)c(/N=N/N(C)C)c1 18188097 CQIDYALDGZXXJP-FOCLMDBBSA-N 262.357 3.037 10 1 CGCF O=[S@](/C=C/c1ccc(O)c(O)c1)CCc1ccccc1 169337031 FBAYELUQECYPAN-BQYDLMEBSA-N 288.368 3.060 10 1 CGCF Nc1ccccc1C(=O)N=Nc1[nH]c(N)c2ccccc12 253961483 YZKLYCQCWIDQRL-UHFFFAOYSA-N 279.303 3.256 10 1 CGCF Cc1cc(C)c2c(c1O)[C@H](N)[C@H](c1ccccc1)C2 26155620 JHVNHBFPJSLMTF-GOEBONIOSA-N 253.345 3.349 10 1 CGCF Oc1ccc(CCc2cccc(Cl)c2)c(O)c1O 64447266 QTRMZJJWBQMNCS-UHFFFAOYSA-N 264.708 3.242 10 1 CGCF c1ccc2c(c1)c1c(n2CCCNC2CCCC2)CNCC1 1857566100 GSQNBTXYSOJMQY-UHFFFAOYSA-N 297.446 3.209 10 1 CGCF O=C1c2ccccc2C(=O)c2c1cnc1ccc(F)cc21 73221856 XSCIXRNPCAWRCW-UHFFFAOYSA-N 277.254 3.149 10 1 CGCF Cc1cccc(C/N=N/c2cn[nH]c(=O)c2Cl)c1 169694007 QFGNRORDABUBNT-JQIJEIRASA-N 262.700 3.016 10 1 CGCF OC[C@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O 11980655 RFAFZABIEOBDBE-GOSISDBHSA-N 297.398 3.406 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(F)cc1 96921813 YMHTURNNYYRQBS-INIZCTEOSA-N 270.307 3.312 10 1 CGCF Cc1nc2c(c3c1C(=O)c1ccccc1C3=O)CC[C@@H](C)C2 169306902 HMXXBHVATQTXQJ-SNVBAGLBSA-N 291.350 3.290 10 1 CGCF CCc1ccc(C/N=N/c2ncnc3nc[nH]c23)cc1 169690690 CAIWGOGHGUZHOC-FMQUCBEESA-N 266.308 3.199 10 1 CGCF Fc1ccc(N2C[C@H]3CNCCc4cccc2c43)cc1 28089311 JPDOPMUPXBQWBY-CYBMUJFWSA-N 268.335 3.207 10 1 CGCF COc1ccc(/N=N/Cc2cc(O)ccc2O)cc1 169721394 XPDJFAQOQWDHCQ-FOCLMDBBSA-N 258.277 3.390 10 1 CGCF COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@H]2c2ccccc2)cc1 44138379 VGSYRQWHQGIGGJ-LSDHHAIUSA-N 294.314 3.462 10 1 CGCF COc1ccc(/C=C2\SC(c3ccncc3)=NC2=O)cc1 299823321 DLONHLKKMZUTMA-UVTDQMKNSA-N 296.351 3.151 10 1 CGCF CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@@H]2C=CC[C@H]12 169303335 DDOANMDPLIQWEZ-ZETOZRRWSA-N 275.323 3.151 10 1 CGCF Oc1ccc(N=Nc2ccc3c(c2)OCCO3)c(O)c1 253916294 WSTAZLFQFPBEJK-UHFFFAOYSA-N 272.260 3.284 10 1 CGCF CCc1cc(O)c(O)c(-c2cc(O)c(O)cc2CC)c1 205291860 VGZVGQRDBPFMCT-UHFFFAOYSA-N 274.316 3.301 10 1 CGCF CC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)C(C)C 36380874 UPWFKLQAXNTZLR-ZDUSSCGKSA-N 292.766 3.427 10 3 CGCF Oc1ccc2ccccc2c1[C@@H]1CCC2=NCCCN21 5051351 LGEMQNHMPUNUAY-AWEZNQCLSA-N 266.344 3.485 10 1 CGCF Oc1cc2c(cc1O)C[C@H]1C=Cc3c(ccc(O)c3O)C1=C2 2356373535 CCGIOUCMIMDPDE-SECBINFHSA-N 294.306 3.249 10 1 CGCF CCOc1ccc2c[nH]c(=NCc3ccccc3O)cc2c1 621430400 UMZBEJPMKZPMQU-UHFFFAOYSA-N 294.354 3.373 10 1 CGCF COC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 101735582 JEKZOTXCRJKHLV-BUHFOSPRSA-N 298.096 3.486 10 1 CGCF CNc1ccc(N=Nc2cc[n+]([O-])cc2C)cc1C 253961072 BVJQSCJFZZKOAF-UHFFFAOYSA-N 256.309 3.394 10 1 CGCF C[C@H](O)[C@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@H]32 2356507810 HQTLEKPEIKFCPQ-AGRHKRQWSA-N 296.414 3.105 10 1 CGCF CC(=O)N[C@@H](c1cc(Cl)c2cccnc2c1O)C(C)C 36388630 UPWFKLQAXNTZLR-CYBMUJFWSA-N 292.766 3.427 10 3 CGCF CCNC(=O)c1cc2cc(C)c3ccccc3c2oc1=O 73157919 KKMUKEMDHQZDBU-UHFFFAOYSA-N 281.311 3.004 10 1 CGCF O=C1OCCc2c1n(Cc1cccc(O)c1)c1ccccc21 653821681 NXQNRTXZSPKRIC-UHFFFAOYSA-N 293.322 3.108 10 1 CGCF COC(=O)/C=C/c1ccc(/C=C\c2ccc(O)c(O)c2)cc1 28823010 IDIKHMOAXXFZRI-SXWITGCCSA-N 296.322 3.454 10 1 CGCF COc1ccc2c(ccc(/C=C3\C=CC=CN3C)[n+]2C)c1 2487719 YROMPJZEZJMSFX-UHFFFAOYSA-N 279.363 3.029 10 1 CGCF [N-]=[N+]=NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772578522 VFTAACHXPDTQMO-MGCOHNPYSA-N 296.338 3.190 10 1 CGCF CCCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O 13454736 GWXUHLWQLHEPJZ-UHFFFAOYSA-N 296.322 3.216 10 1 CGCF Oc1c(CN2CCCCCC2)ccc2cnccc12 26477693 WENAKUUUVPKYET-UHFFFAOYSA-N 256.349 3.316 10 1 CGCF CCNCCNc1c2ccccc2nc2ccccc12 5807766 CEVLVHXFAQDRLC-UHFFFAOYSA-N 265.360 3.409 10 1 CGCF [N-]=[N+]=NC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 95807870 YFZDKONDHSFAQK-HNNXBMFYSA-N 280.331 3.338 10 1 CGCF COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@@H]2c2ccccc2)cc1 44138382 VGSYRQWHQGIGGJ-GJZGRUSLSA-N 294.314 3.462 10 1 CGCF CC1(C)OC(=O)C(/N=N\c2ccc(Cl)cc2)=C(O)O1 102663870 ZYHXFNXYJNRLEF-PFONDFGASA-N 282.683 3.460 10 1 CGCF C=Cc1ccc([C@@H](c2ccccc2O)N2CCOCC2)cc1 1772599699 ZXEVMDWFJHECOX-IBGZPJMESA-N 295.382 3.457 10 1 CGCF Cc1sc2c(c1C)CCN[C@H]2Cc1ccc(O)c(O)c1 963029104 QYKISKYLKLQLBW-ZDUSSCGKSA-N 289.400 3.206 10 1 CGCF COc1cc2ccnc(Cc3ccc(N)cc3)c2cc1OC 29481483 INCVAKSOHZPZEU-UHFFFAOYSA-N 294.354 3.425 10 1 CGCF [N-]=[N+]=NCc1cccc2c1S(=O)(=O)c1ccccc1O2 26189832 VZCZYHRIOSUIGK-UHFFFAOYSA-N 287.300 3.435 10 1 CGCF CC(C)[C@@]1(N=[N+]=[N-])Oc2cc3oc(=O)ccc3cc2C1=O 473090520 WBSBNFMQHYIZJJ-CQSZACIVSA-N 285.259 3.031 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2cnc(Cl)[nH]c-2n1 587260294 QLDLQFBRAFACQM-UHFFFAOYSA-N 279.735 3.371 10 1 CGCF Cc1sc2c(c1C)CCN[C@@H]2Cc1ccc(O)c(O)c1 963029024 QYKISKYLKLQLBW-CYBMUJFWSA-N 289.400 3.206 10 1 CGCF COc1cccc(C/N=N/c2nccnc2Cl)c1O 169688487 GMHZJQUNPPVFTD-WUKNDPDISA-N 278.699 3.128 10 1 CGCF C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 3871018 QOZFCKXEVSGWGS-HEWKYXSKSA-N 288.387 3.315 10 1 CGCF in-man CCOc1ccc2c(c1)c(/N=N/C(=N)S)c(O)n2C 101568758 URTRJAKXOYQRPX-CCEZHUSRSA-N 278.337 3.231 10 1 CGCF N=C1N=NC(N)=C1/N=N/c1cccc(C(F)(F)F)c1 14965669 SNTJRGVKGCPNBK-KGQVPBNKSA-N 268.202 3.360 10 1 CGCF in-vivo COc1cc(O)c(O)cc1CC=Cc1ccccc1 2356664604 BYBYXHQLGYTXAK-UHFFFAOYSA-N 256.301 3.362 10 1 CGCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccccc1F 96921774 RNLRVCHUYIQEGC-OAHLLOKOSA-N 286.306 3.018 10 1 CGCF O=C1C[C@H](c2ccccc2)[C@H](c2ccccc2)C1=O 1557228 KINGWWRTKHNRLY-ZBFHGGJFSA-N 250.297 3.096 10 1 CGCF NCC/C=C1\c2ccccc2C[C@H](O)c2ccccc21 100051669 PIEVJGJKDMQGSG-KAPURRDVSA-N 265.356 3.057 10 1 CGCF endogenous,world COc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cn1 587259968 KXKPUVZKACZPLN-UHFFFAOYSA-N 274.328 3.380 10 1 CGCF Cc1ccc(C(=O)c2ccccc2)c(N[C@@H](C)C(=O)O)c1 53070599 JKQZQCXKRZPKCL-LBPRGKRZSA-N 283.327 3.111 10 1 CGCF CC(=O)[C@@]1(/N=N/c2ccc(Br)cc2)N=C1C 103189396 LGEJFUHKSVANTM-BFWGRDPESA-N 280.125 3.293 10 1 CGCF Cc1ccc(/N=N/C2=C(O)OC(C)(C)OC2=O)c(C)c1 101485974 XAIMMNFAFURVIC-FOCLMDBBSA-N 276.292 3.424 10 1 CGCF Oc1ccc2nc(-c3ccc(O)c(O)c3)sc2c1 29406811 MCKWUTRQXDCRFM-UHFFFAOYSA-N 259.286 3.080 10 1 CGCF Oc1cccc(-c2cc3c4c(cccc4n2)CC3)c1O 587215663 LJNZDCHJWMYNEA-UHFFFAOYSA-N 263.296 3.412 10 1 CGCF CC1(C)C(=O)CC[C@@]2(C)c3cc(O)c(O)cc3CC[C@H]12 15114163 KDQWLEARHOAGQG-PBHICJAKSA-N 274.360 3.307 10 1 CGCF CN(C)Cc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2 473156187 SVKYDLRPSSZSJP-UHFFFAOYSA-N 297.354 3.135 10 1 CGCF C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O 13319946 QOZFCKXEVSGWGS-DVPPIDHESA-N 288.387 3.315 10 1 CGCF world Cc1ccc([C@H]2Oc3ccc(C)cc3C(=O)C2=O)cc1 28529396 RCKJCKSPUXFMLQ-QGZVFWFLSA-N 266.296 3.189 10 1 CGCF CCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1 1857565395 RRVNGSALBMTKDP-CSKARUKUSA-N 284.377 3.064 10 1 CGCF COc1cc(O)cc2c(C)cc(O)c(O)c2oc(C)c1 14697138 MVWNYMTYKBWPHR-UHFFFAOYSA-N 276.288 3.299 10 1 CGCF CCN(CC)Cc1oc2c(c1C)C(=O)C(=O)c1ccccc1-2 169353273 YMDZAWNZUQDUBT-UHFFFAOYSA-N 297.354 3.476 10 1 CGCF CCc1cccc2c1N(C)Cc1cc(O)c(O)cc1-2 206701874 JTPMYDXBKHWVRP-UHFFFAOYSA-N 255.317 3.277 10 1 CGCF Oc1cc2c(cc1O)-c1cc(O)c(O)cc1CCCC2 473152697 VKCHBMSLESLYKC-UHFFFAOYSA-N 272.300 3.055 10 1 CGCF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)c1ccc(O)c(O)c1)C2 169364742 FFQWQIUQQDFRSS-HYSWKAIVSA-N 290.359 3.469 10 1 CGCF C[C@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 3871019 QOZFCKXEVSGWGS-PHRGQOSZSA-N 288.387 3.315 10 1 CGCF endogenous,in-man COc1ccccc1CCCNCc1ccccc1O 1772605252 NYZNBUNUDMHNER-UHFFFAOYSA-N 271.360 3.123 10 1 CGCF CN1c2ccccc2CN2CCc3ccccc3[C@H]21 169294373 LHJBHLMRUQBOHU-KRWDZBQOSA-N 250.345 3.193 10 1 CGCF CCc1ccc2[nH]c(O)c(/N=N\C3=NC(=O)CS3)c2c1 102621924 YVNAJGWKCNICPF-MSUUIHNZSA-N 288.332 3.149 10 1 CGCF Cn1c(O)c(/N=N\C(=O)c2ccco2)c2ccccc21 18089634 FKQLJFBWDKUXCR-NXVVXOECSA-N 269.260 3.401 10 1 CGCF Cc1ccc2c(c1)C(N)=C1CCN(c3ccccc3)[C]1N2 2356836594 VKQKRPFLQOEWIX-UHFFFAOYSA-N 276.363 3.490 10 1 CGCF CN1/C(=C/c2cccc[n+]2C)Sc2ccccc21 188676 OJYHXHANFBNVHK-UHFFFAOYSA-N 255.366 3.052 10 3 CGCF Cc1cccc(N2N=C3COc4ccccc4C=C3C2=O)c1 103256958 CNJNTONRECIRQQ-UHFFFAOYSA-N 290.322 3.174 10 1 CGCF O=C1OC(c2ccccc2)=CC1=Cc1ccccc1O 1857742038 AFWBUFRBKPNROF-UHFFFAOYSA-N 264.280 3.374 10 1 CGCF COC1=C[C@H](c2ccccc2)C(=O)C(=O)[C@H]1c1ccccc1 101722686 AXYKUSLHKJFTSV-WBVHZDCISA-N 292.334 3.236 10 1 CGCF COc1c(C/C=C/c2ccccc2)ccc(O)c1O 28712285 WGXMQVRYJCAUFL-VMPITWQZSA-N 256.301 3.362 10 1 CGCF Cc1ccc2c(c1)NC(=O)[C@](N=[N+]=[N-])(c1ccccc1)C2=O 73297968 RYJIXOVRQQHKDY-INIZCTEOSA-N 292.298 3.336 10 1 CGCF O=[N+]([O-])c1ccccc1N=Nc1ccc(O)cc1O 254046529 FIIZIGIBHJBQIJ-UHFFFAOYSA-N 259.221 3.421 10 1 CGCF CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1cccc(O)c1 102695905 CQKRKYXHDDNWHB-BQASMSSTSA-N 294.314 3.267 10 1 CGCF CCn1c(-c2ccc(N(C)C)cc2)nc2cccnc21 28824587 OZXNHRIIYQUBDF-UHFFFAOYSA-N 266.348 3.184 10 1 CGCF Cn1cccc1/C=C/c1cnc(/C=C/c2cccn2C)cn1 95575771 AAOJCBSHRFMQSC-FIFLTTCUSA-N 290.370 3.494 10 1 CGCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(F)cc1 96921777 PWCUXLCHLIAMBR-HNNXBMFYSA-N 286.306 3.018 10 1 CGCF O=C1c2ccccc2-c2nnc(-c3ccccc3O)cc21 27301255 JJLVJJOBVRHBKN-UHFFFAOYSA-N 274.279 3.061 10 1 CGCF O=C1c2ccccc2-c2nncc(-c3ccccc3)c21 13743539 XXAMPLSBRNFBAB-UHFFFAOYSA-N 258.280 3.355 10 1 CGCF COc1c(O)c(O)cc2c1oc1c3ccccc3oc(=O)c21 8679936 ZDSBVGNINXQGCZ-UHFFFAOYSA-N 298.250 3.112 10 1 CGCF O=c1c(F)c(-c2ccccc2)oc2c(O)c(O)ccc12 95558213 JRBWGVXRILHEEA-UHFFFAOYSA-N 272.231 3.010 10 1 CGCF Nc1ncc(/N=N\c2cc(C(=O)O)ccc2Cl)s1 32682160 ZMHHNRAFSIISBK-PFONDFGASA-N 282.712 3.492 10 1 CGCF Cc1nc2ccc3c(c2nc1C)C(=O)c1ccccc1C3=O 45388635 WDHCRURNPCZZII-UHFFFAOYSA-N 288.306 3.022 10 1 CGCF in-vivo COc1cc(/C=C/c2nc3ccc(C)cc3[nH]2)cc(O)c1O 587784752 CRUGDQNJCOMGMR-GQCTYLIASA-N 296.326 3.462 10 1 CGCF Oc1cc2c(cc1O)-c1nc3cccc4c3c(c1C2)CC4 587216035 QUUUTRGHCDVVAA-UHFFFAOYSA-N 275.307 3.316 10 1 CGCF Cc1cc(C)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587193252 WGROUESSIKPMNG-UHFFFAOYSA-N 295.386 3.275 10 1 CGCF Cc1ccc([C@H](C)C/C=C/C(C)(C)O)c(O)c1O 13377478 ZTLNAPYLFAYUEJ-NAZIUFLLSA-N 250.338 3.227 10 1 CGCF biogenic,in-vitro O=c1cc(/C=C/c2cc(O)c(O)c(O)c2)oc2ccccc12 103186557 WDMSBBMICZFBOH-AATRIKPKSA-N 296.278 3.080 10 1 CGCF COc1c(CCCc2ccccc2)ccc(O)c1O 238752562 OVGHKEZENVBUFO-UHFFFAOYSA-N 258.317 3.282 10 1 CGCF O=c1cc(/N=N/c2cccc([N+](=O)[O-])c2)cccc1O 1857758370 FBZFSNORBOQDPM-CCEZHUSRSA-N 271.232 3.076 10 1 CGCF CCCN(CCC)[C@H]1CCc2ccc(O)c(O)c2C1 26019905 KWJJIKPCJFZUOA-ZDUSSCGKSA-N 263.381 3.077 10 1 CGCF CCCc1cc(OC)cc2c1C(=O)c1c(O)cccc1C2=O 15115352 PWQNIQPMVLOIBG-UHFFFAOYSA-N 296.322 3.129 10 1 CGCF COc1cc2c(cc1C)C(=O)c1ccc(OC)c(C)c1C2=O 13484855 HKRWNLXAEREDEU-UHFFFAOYSA-N 296.322 3.096 10 1 CGCF Cc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 13762004 GYRLGNMXIAYTEM-WFASDCNBSA-N 287.384 3.018 10 1 CGCF CC(C)=CCCc1cc(O)c2c(c1O)C(=O)CCC2=O 34220087 CHJBTRRHRZGUGG-UHFFFAOYSA-N 274.316 3.156 10 1 CGCF biogenic,in-vitro Oc1ccc(-c2ccc3cc(O)c(O)cc3c2)cc1O 6535080 RHRGPVYNLSTBIN-UHFFFAOYSA-N 268.268 3.329 10 1 CGCF biogenic CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(C)c1 13560422 VWQAHJKZHDZZOO-SFHVURJKSA-N 294.354 3.398 10 1 CGCF COc1cc2ccc3cc(O)c(O)cc3c2c(O)c1OC 14650719 REZBGQMUFXXSHZ-UHFFFAOYSA-N 286.283 3.127 10 1 CGCF CCCCN(CCC)[C@H]1CCc2cc(O)c(O)cc2C1 169323527 BMHRLSDJTCLSSN-HNNXBMFYSA-N 277.408 3.467 10 1 CGCF CC1(C)OC(=O)C(=Cc2ccc3ccccc3c2)C(=O)O1 58538445 YCYUMEYVMYRRKK-UHFFFAOYSA-N 282.295 3.059 10 1 CGCF CC(C)CCC(=O)OCCCc1ccc(O)c(O)c1 15113239 PEEWTUKBANXDIO-UHFFFAOYSA-N 266.337 3.010 10 1 CGCF COc1ccc2c(c1)SC[C@@H](c1ccc(O)c(O)c1)O2 169341217 IOQSBADQEMGURY-AWEZNQCLSA-N 290.340 3.332 10 1 CGCF CCCN(CCC)[C@@H]1CCc2ccc(O)c(O)c2C1 26019898 KWJJIKPCJFZUOA-CYBMUJFWSA-N 263.381 3.077 10 1 CGCF Cc1ccc(-c2coc3cc(O)c(O)cc3c2=O)cc1 147699523 YUOJMKXJTPBBGA-UHFFFAOYSA-N 268.268 3.180 10 1 CGCF O=Cc1cc(/N=N\c2cccc(C(=O)O)c2)ccc1O 100442925 VEUVVTPWFGTPGG-NXVVXOECSA-N 270.244 3.318 10 1 CGCF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(O)c(O)c1)C2 27313282 FFQWQIUQQDFRSS-WHCBVINPSA-N 290.359 3.469 10 1 CGCF C[N+]1(C)C=Cc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)cc1 1911580216 TVVLKXMFAWNCDW-MRXNPFEDSA-O 298.362 3.148 10 1 CGCF Cc1cc(=O)oc2cc(NCc3ccccc3O)ccc12 206238226 ZASPZVGMLOXOQT-UHFFFAOYSA-N 281.311 3.419 10 1 CGCF C/C(=C\N=N\c1ccc2nncn2n1)Cc1ccccc1 169691878 HNPOSESMVJNHCS-OFUYBPKBSA-N 278.319 3.355 10 1 CGCF CCCN1CCC[C@H]2c3cc(O)c(O)cc3CC[C@@H]21 26161519 LQFFLZOXBCIHSQ-JSGCOSHPSA-N 261.365 3.002 10 1 CGCF CCC(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1O 102585 JKBKQNZXRKNDJJ-MRXNPFEDSA-N 296.326 3.149 10 1 CGCF O=C(c1ccccc1)c1cc(O)c(O)cc1Br 53294281 BSPFQVZYZKSAIJ-UHFFFAOYSA-N 293.116 3.091 10 1 CGCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1cccc(F)c1 96921775 VBXNHXIIDPROQX-HNNXBMFYSA-N 286.306 3.018 10 1 CGCF Cc1nc2c(n1CC(C)(C)C)C(=O)c1ccccc1C2=O 13216711 FGGSECKXGWFYMG-UHFFFAOYSA-N 282.343 3.013 10 1 CGCF CN1C=CC(=Cc2sc3ccccc3[n+]2C)C=C1 3639811 AZGHYNKGZARINK-UHFFFAOYSA-N 255.366 3.082 10 1 CGCF O=[S@@](/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 169337027 OMRSMXKKEUZTSL-SGQUHAKNSA-N 274.341 3.017 10 1 CGCF Oc1ccccc1CN=c1cc2cccc(F)c2c[nH]1 621430220 NQUISYHKZIKSDM-UHFFFAOYSA-N 268.291 3.114 10 1 CGCF CC(C)C(=O)Nc1cc2c(s1)C(=O)c1ccccc1C2=O 1772658184 YAJPKNIVTQIZJX-UHFFFAOYSA-N 299.351 3.118 10 1 CGCF Nc1[nH]c(/N=N/C(=O)c2ccccc2O)c2ccccc12 101523489 SCYDQYGPLMLJPQ-VHEBQXMUSA-N 280.287 3.380 10 1 CGCF CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1C(C)(C)CCC2 103192475 TVPNIGPFFNLQEH-UHFFFAOYSA-N 293.323 3.183 10 1 CGCF CCCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O 13862835 XRHJCLBIDQJFKO-UHFFFAOYSA-N 293.322 3.471 10 1 CGCF O=C(/C=C/c1ccc(O)c(O)c1)O/C=C/c1ccccc1 238753552 XGUMNKCSVPNJHO-RJECPTDASA-N 282.295 3.325 10 1 CGCF O=C1c2ccccc2-c2nnc(Cc3ccccc3)cc21 13743545 RJTWQOKLTDFVPE-UHFFFAOYSA-N 272.307 3.279 10 1 CGCF C=Cc1cccc2c1N(C)Cc1cc(O)c(O)cc1-2 53314907 HQPNGRNJFCOGLU-UHFFFAOYSA-N 253.301 3.358 10 1 CGCF NCc1cccc(/N=N\c2cccc(CC(=O)O)c2)c1 103562504 RHNJRPYVLIXHAK-ZCXUNETKSA-N 269.304 3.188 10 1 CGCF in-vitro Cc1ccc2c(c1)[nH]c(=O)n2Cc1cc(Cl)ccc1O 29394951 XFHAVGKZQNMUDH-UHFFFAOYSA-N 288.734 3.045 10 1 CGCF O=C1c2ccccc2C(=O)c2sc(-c3nncs3)cc21 1772609567 UBMJLZGVYZTLOX-UHFFFAOYSA-N 298.348 3.042 10 1 CGCF CSc1ccc(N=Nc2c(C)[nH]n(C)c2=O)cc1 299849936 YXADEZMWYVXVOV-UHFFFAOYSA-N 262.338 3.159 10 1 CGCF COc1cc2c(ccc3cc(O)c(O)c(OC)c32)cc1O 14650726 VRVRQHGPVSZZGC-UHFFFAOYSA-N 286.283 3.127 10 1 CGCF Cc1ccc(C(C)C)n1-c1cc(O)cc(C(=O)O)c1 587926044 JXXAZILJHRMZDF-UHFFFAOYSA-N 259.305 3.313 10 1 CGCF CCCN1Cc2cccc3c2[C@@H](C1)c1ccc(O)c(O)c1C3 13478198 VKSXADRMMBMNET-INIZCTEOSA-N 295.382 3.360 10 1 CGCF O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2cc(O)ccc12 3596204 HIKZMFLYUWPAOO-DAFODLJHSA-N 296.278 3.080 10 1 CGCF COc1ccc2c(c1)CN1CCc3ccccc3[C@@H]1N2C 95576642 DLDBQZCDZBCPML-GOSISDBHSA-N 280.371 3.202 10 1 CGCF O=C1c2ccccc2C(=O)C1c1cc2c3c(cccc3n1)CC2 587214139 PEALQORVFLGNPB-UHFFFAOYSA-N 299.329 3.496 10 1 CGCF O=c1cc(/C=C/c2ccc(O)c(O)c2)oc2cccc(O)c12 3596207 KCCRWJFXCONUFA-GQCTYLIASA-N 296.278 3.080 10 1 CGCF Cc1cc(N(C)C)cc(C)c1N=Nc1cc[n+]([O-])cc1 254047243 XCNLTPWPUBZVTB-UHFFFAOYSA-N 270.336 3.418 10 3 CGCF Cc1ccc(-c2noc3c2C(=O)c2sccc2C3=O)cc1 1857619537 VIAHJPZVDCJBCJ-UHFFFAOYSA-N 295.319 3.487 10 1 CGCF CCCN(CCC)C[C@@H]1CCc2cc(O)c(O)cc21 29207465 ZYSHQGSOYBDFDU-ZDUSSCGKSA-N 263.381 3.250 10 1 CGCF CCOC(=O)[C@H]1Nc2ccc(C)cc2[C@H]2C=CC[C@H]12 59888704 RGNXIZHUUSNBBD-HUBLWGQQSA-N 257.333 3.012 10 1 CGCF CCCc1c(O)c(O)c(C(=O)O)c2ccc(C)cc12 13781254 HJMYCPSZGDHIRL-UHFFFAOYSA-N 260.289 3.210 10 1 CGCF CCc1ccc2[nH]c(O)c(/N=N/C3=NC(=O)CS3)c2c1 101568460 YVNAJGWKCNICPF-WUKNDPDISA-N 288.332 3.149 10 1 CGCF O=C1C2=Cc3ccccc3OCC2=NN1c1cccc(F)c1 103256975 RSXAQXPZDQNTFV-UHFFFAOYSA-N 294.285 3.004 10 1 CGCF O=c1c(-c2cccc(F)c2)coc2cc(O)c(O)cc12 147693339 SUTUXIWHEJWHDV-UHFFFAOYSA-N 272.231 3.010 10 1 CGCF CNCC/C=C1/c2ccc(O)cc2C[C@@H](O)c2ccccc21 473162419 AVWDSLYNHVKVAE-WETRKIQUSA-N 295.382 3.023 10 1 CGCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccco1 13126791 OJUZLPMHOJWBKE-FOCLMDBBSA-N 255.233 3.391 10 1 CGCF Cc1cc(C)c2c(c1O)[C@@H](N)[C@H](Cc1ccccc1)C2 26156638 IDQRKKARIIAQGA-PBHICJAKSA-N 267.372 3.424 10 1 CGCF CCCCC[C@H]1C[C@@H](O)C[C@@H](c2ccc(O)c(O)c2)O1 15113590 UVNMCYOIEGHYSX-WWGRRREGSA-N 280.364 3.259 10 1 CGCF CCCN(CCc1ccc(O)c(O)c1)CC(C)C 169318210 ZVLAETJHLJBYQY-UHFFFAOYSA-N 251.370 3.008 10 1 CGCF CC(=O)[C@]1(/N=N/c2cccc(Br)c2)N=C1C 103186953 JPWJSOSIUBTDGU-AKCBPTIMSA-N 280.125 3.293 10 1 CGCF Nc1cccc2ccc(/C=C/c3ccc(O)c(O)c3)nc12 5933829 PIAVAJGOHKOQGW-QPJJXVBHSA-N 278.311 3.399 10 1 CGCF O=[S@@](/C=C/c1ccc(O)c(O)c1)CCc1ccccc1 169337029 FBAYELUQECYPAN-WAEYIKQSSA-N 288.368 3.060 10 1 CGCF COc1ccc(/N=N/c2cccc(O)c(=O)c2)cc1 1857648005 UGKIXXJZLNCQOD-FOCLMDBBSA-N 256.261 3.176 10 1 CGCF [N-]=[N+]=N[C@@]1(c2ccccc2)C(=O)Nc2ccccc2C1=O 73369653 XBRXNUUKKLJTET-OAHLLOKOSA-N 278.271 3.027 10 1 CGCF Oc1cc2c(cc1CNc1ccc(F)cc1F)OCC2 28009088 QSLOICPCYHPIOH-UHFFFAOYSA-N 277.270 3.217 10 1 CGCF Oc1cc2c(cc1O)C[C@H]1CCc3c(ccc(O)c3O)C1=C2 2356373679 FUMMXEIGPZOPFX-SECBINFHSA-N 296.322 3.168 10 1 CGCF COc1ccccc1-c1cc2c(nn1)-c1ccccc1C2=O 27208323 VGYIJMOFZCOKDY-UHFFFAOYSA-N 288.306 3.364 10 1 CGCF Cc1cc(F)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587192928 KXCWLRDFOGYHHR-UHFFFAOYSA-N 299.349 3.106 10 1 CGCF Cc1ccc(N[C@H](C)C(=O)O)c(C(=O)c2ccccc2)c1 53084368 MDNPVCFICPHKFU-GFCCVEGCSA-N 283.327 3.111 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2c(Cl)ncnc2[nH]1 587260311 QWYPLGSPQWXVJF-UHFFFAOYSA-N 279.735 3.420 10 1 CGCF CCCC[C@]1(N=[N+]=[N-])C(=O)c2cccc3c2N(CCC3)C1=O 73353836 KVSUIQWDNDCEMW-INIZCTEOSA-N 298.346 3.401 10 1 CGCF O=c1oc2cc(O)c(O)cc2c2oc3ccccc3c12 33832317 AOAYABGBVULEGA-UHFFFAOYSA-N 268.224 3.104 10 1 CGCF biogenic,in-vitro C[C@@H]1c2cccc3c2[C@@H](CN1C)c1ccc(O)c(O)c1C3 13479459 IOOBOXRVKPVBIV-BMIGLBTASA-N 281.355 3.140 10 1 CGCF O=NCc1cc(Br)cc(Br)c1O 199576117 BMTCHXCFZSGLLQ-UHFFFAOYSA-N 294.930 3.184 10 1 CGCF CSc1nncc([C@H](C)/N=N/c2ccccc2)n1 169688843 QATFSGBDRUOOEI-FZQCLQRZSA-N 259.338 3.438 10 1 CGCF C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)n1cccc1 1857767724 XJIDRPIVMBUTMQ-NSHDSACASA-N 291.306 3.466 10 1 CGCF Cc1ccc2c3c(cnc2c1)C(=O)c1ccccc1C3=O 84564522 OFBFBPCSROURDV-UHFFFAOYSA-N 273.291 3.319 10 1 CGCF Oc1ccc2c(c1)SC[C@@H](c1ccc(O)c(O)c1)O2 169341208 GALVITWPPNSLNC-ZDUSSCGKSA-N 276.313 3.029 10 1 CGCF Cc1cc(O)c2c(c1)Oc1c(O)c(O)cc(C)c1O2 2356710522 GXAHLCJVXILIPE-UHFFFAOYSA-N 260.245 3.318 10 1 CGCF Cc1ccc(N[C@@H](C)C(=O)O)c(C(=O)c2ccccc2)c1 53084364 MDNPVCFICPHKFU-LBPRGKRZSA-N 283.327 3.111 10 1 CGCF CC[C@H](O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586901641 VGWCZGCXQYRIOB-HNNXBMFYSA-N 283.331 3.381 10 1 CGCF COc1nccc2nc(CCCCCCN=[N+]=[N-])[nH]c12 587259581 FGJOTLJIOUCJAN-UHFFFAOYSA-N 274.328 3.380 10 1 CGCF CC(C)n1ccc2c(Oc3ccc(N)cc3)ncnc21 95557123 LPLXDDYGOFQUNX-UHFFFAOYSA-N 268.320 3.387 10 1 CGCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C(C)C 29389253 ZPVZFEZZZNFBNK-UHFFFAOYSA-N 277.389 3.448 10 1 CGCF COc1ccc(C/C=C/c2ccccc2)c(O)c1O 28712284 SENSFZKGNDOZCU-VMPITWQZSA-N 256.301 3.362 10 1 CGCF COc1ccc(/N=N\c2n(C)c3ccccc3[n+]2C)cc1 18030625 BGYSMPFKYLADNT-UHFFFAOYSA-N 281.339 3.427 10 3 CGCF Cc1ccc(C(=O)N2CCCCC2)cc1/N=N/N(C)C 17971586 ASPOYWQEXUDTBS-WUKNDPDISA-N 274.368 3.181 10 1 CGCF CSc1nc2cc3c(cc2o1)C(=O)c1ccccc1C3=O 299822189 HMPMOTAKQPJVNZ-UHFFFAOYSA-N 295.319 3.325 10 1 CGCF Oc1ccc2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1 2566205 ZBGITCYVOHVJEB-UHFFFAOYSA-O 271.248 3.203 10 1 CGCF [N-]=[N+]=N[C@]1(c2ccccc2)C(=O)Nc2ccccc2C1=O 73369651 XBRXNUUKKLJTET-HNNXBMFYSA-N 278.271 3.027 10 1 CGCF CC(C)(C)c1ccc(O)c(CN2CCSCC2)c1 40395017 WFZZFGIKBHYVHT-UHFFFAOYSA-N 265.422 3.239 10 1 CGCF CCC[C@H](C)c1cc(CN(C)C)c(O)cc1CN(C)C 1857571930 YSCSMXXSNSPFMO-ZDUSSCGKSA-N 278.440 3.419 10 1 CGCF COc1ccc2c(c1)OCc1c-2oc2cc(O)c(O)cc12 14820617 FLLWZPMYUAPJEA-UHFFFAOYSA-N 284.267 3.412 10 1 CGCF biogenic,in-vitro Oc1ccc(CCc2ccc(Cl)cc2)c(O)c1O 64447228 ZOLLZRKQVNFBNN-UHFFFAOYSA-N 264.708 3.242 10 1 CGCF Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1 28896178 GZBFCBDWKMVKCO-UHFFFAOYSA-N 258.317 3.369 10 1 CGCF CC1(C)OC(=O)C(N=Nc2ccc(Cl)cc2)=C(O)O1 254045831 ZYHXFNXYJNRLEF-UHFFFAOYSA-N 282.683 3.460 10 1 CGCF Cc1cccc([C@H]2CC(c3ccc(O)cc3O)=NN2C)c1 96921782 XLJJZTFXLAVQNM-MRXNPFEDSA-N 282.343 3.187 10 1 CGCF COc1cc(/C=C\c2nc3ccc(C)cc3[nH]2)cc(O)c1O 587784753 CRUGDQNJCOMGMR-XQRVVYSFSA-N 296.326 3.462 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587259111 AKPAXYGBYDYPIX-UHFFFAOYSA-N 289.299 3.279 10 1 CGCF CCOC(=O)c1[nH]c2ccc(C)cc2c1/N=N\N(C)C 13562759 ZFKNWLRDUPFZIB-MSUUIHNZSA-N 274.324 3.213 10 1 CGCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(CO)cccc12 14719974 RVBZKTGBLGUYDC-UHFFFAOYSA-N 292.290 3.280 10 1 CGCF biogenic,in-vitro Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)CS2 169341222 KDVMIECWYDCMIN-ZDUSSCGKSA-N 276.313 3.029 10 1 CGCF COC(=O)/C=C(C)/N=N/c1c(O)[nH]c2ccccc12 101931299 ZJQQMGVOMXBHAS-FUOROIJXSA-N 259.265 3.034 10 1 CGCF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)c1 169723230 ZXDJJCGUJQSJAT-HTXNQAPBSA-N 295.302 3.189 10 1 CGCF Oc1ccc(-c2ccc3c(O)c(O)ccc3c2)cc1O 53313094 MHFVXUWPLJQFKL-UHFFFAOYSA-N 268.268 3.329 10 1 CGCF CC[C@H]1C(=O)c2cc(OC)c(Cl)c(Cl)c2C1=O 100982363 SNBMLPCVMSSUFE-YFKPBYRVSA-N 273.115 3.407 10 1 CGCF COc1cc(/C=C/c2nc3cccc(C)c3[nH]2)cc(O)c1O 587784561 AGTORDNVFBZGCU-VOTSOKGWSA-N 296.326 3.462 10 1 CGCF CCN(CC)[C@@H](C)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857769093 OLBGJNGIKRGEBU-NSHDSACASA-N 297.354 3.458 10 1 CGCF CN(C)c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 28824605 VGCVCNOAIAVKLV-UHFFFAOYSA-N 272.739 3.344 10 1 CGCF CC[C@H](c1ccc(O)c(OC)c1)c1cccc(O)c1O 72120112 SHJXYTKJNPPAHC-LLVKDONJSA-N 274.316 3.354 10 1 CGCF CN1CCc2cc(O)c(O)cc2[C@H]1/C=C/c1ccccc1 1772578157 NNPWAFBCLVZQDT-KXPUMZMLSA-N 281.355 3.340 10 1 CGCF Cc1ccc2nc(Sc3ncc([N+](=O)[O-])s3)[nH]c2c1 40915271 LMUPPEHEEWLMMV-UHFFFAOYSA-N 292.345 3.387 10 1 CGCF CCN1Cc2ccccc2[C@@H](c2ccc(O)c(O)c2)C1 29237475 OKBAOLVVTVJJID-OAHLLOKOSA-N 269.344 3.065 10 1 CGCF CN1CCc2cc(O)c(O)cc2[C@@H]1/C=C/c1ccccc1 1772578160 NNPWAFBCLVZQDT-WAVCKPEOSA-N 281.355 3.340 10 1 CGCF COc1ccc2c(c1)CN1CCc3ccccc3[C@H]1N2C 169294798 DLDBQZCDZBCPML-SFHVURJKSA-N 280.371 3.202 10 1 CGCF CCN1C(=Cc2cccc[n+]2C)Sc2ccc(OC)cc21 2480441 JRRLJUPGKXVXRA-UHFFFAOYSA-N 299.419 3.450 10 3 CGCF CC1=NC(=O)[C@@H](N=Nc2cccc(O)c2)N1c1ccccc1 263592247 CZUYVTIUFCKFLQ-HNNXBMFYSA-N 294.314 3.267 10 3 CGCF CN1CCc2cc(O)c(O)c3c2[C@H]1C[C@@H]3c1ccccc1 1772610117 JZEITSKBLAVSNW-ZIAGYGMSSA-N 281.355 3.162 10 1 CGCF OC/C=C/c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 43080249 OJMKVBUNBNOOOC-GQUYQXFZSA-N 268.312 3.274 10 1 CGCF CCCCCc1cc(O)c([C@@H]2CSCCN2)c(O)c1 2356284221 SKFXWFKVJVMNNF-LBPRGKRZSA-N 281.421 3.208 10 1 CGCF CCc1c(C)cc2c(c1O)C(=O)c1c(OC)cccc1C2=O 38242628 IKDWIRLDIXJISL-UHFFFAOYSA-N 296.322 3.047 10 1 CGCF CCc1ccc2[nH]c(O)c(N=NC3=NC(=O)CS3)c2c1 253983090 YVNAJGWKCNICPF-UHFFFAOYSA-N 288.332 3.149 10 1 CGCF CC(=O)c1ccc(NCc2cc3c(cc2O)CCO3)cc1 28009078 VFGROPIXIMLTBL-UHFFFAOYSA-N 283.327 3.142 10 1 CGCF CCOC(=O)[C@H]1Nc2ccc(C)cc2[C@@H]2C=CC[C@@H]12 15952468 RGNXIZHUUSNBBD-JMSVASOKSA-N 257.333 3.012 10 1 CGCF O=C1COC(c2ccc(/N=N/c3cccc(F)c3)cc2)=NN1 1772655428 YOCVPTBXEVSXRB-ISLYRVAYSA-N 298.277 3.049 10 1 CGCF Oc1cc2c(cc1O)[C@H]1CCCN1C[C@H]2c1ccccc1 29232058 VXVHNAFGHKJICZ-JKSUJKDBSA-N 281.355 3.380 10 1 CGCF CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)cn1 106403473 SZOFOKULUJPBNV-PTNGSMBKSA-N 292.342 3.109 10 3 CGCF Cc1ccc(C)c(C2C(=O)c3ccccc3C2=O)c1 101168157 DJVVAHHXAXAZIW-UHFFFAOYSA-N 250.297 3.466 10 3 CGCF Cc1ccc2c(c1)N(C)/C(=C/c1cccc[n+]1C)S2 188689 MZPFILZBJZGYHV-UHFFFAOYSA-N 269.393 3.360 10 3 CGCF CN(CCc1ccc(O)c(O)c1)c1ccnc2ccccc12 169304098 KYHZMAONBMUIIY-UHFFFAOYSA-N 294.354 3.325 10 3 CGCF O=C1c2ccccc2C(=O)c2c(-c3ccccc3)noc21 34494110 XYZKXTOGPRXHMA-UHFFFAOYSA-N 275.263 3.117 10 1 CGCF Cc1n[nH]c(N)c1N=Nc1ccc(Br)cc1 252610296 HZYNNKKJLFSZGP-UHFFFAOYSA-N 280.129 3.478 10 1 CGCF CC(C)c1cc(C(=O)Nc2ccccc2)c(O)c(O)c1O 29464707 HMVKMSUSFWLQLX-UHFFFAOYSA-N 287.315 3.179 10 1 CGCF in-vivo C[N+]1(C)C=Cc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)cc1 1911580215 TVVLKXMFAWNCDW-INIZCTEOSA-O 298.362 3.148 10 1 CGCF COc1cccc(C/N=N/c2cc(Cl)nc(C)n2)c1O 169690668 PXWUBIJYFPHNTC-OBGWFSINSA-N 292.726 3.437 10 1 CGCF CCCN1CCC[C@@H]2c3cc(O)c(O)cc3CC[C@@H]21 27554456 LQFFLZOXBCIHSQ-OCCSQVGLSA-N 261.365 3.002 10 1 CGCF COc1cccc(/N=N/c2cccc(O)c(=O)c2)c1 1857759370 BJXLYSYFWNRFFR-FOCLMDBBSA-N 256.261 3.176 10 1 CGCF Cc1cccc([C@H]2COc3c(ccc(O)c3O)C2)c1 96177635 PHLLTOYGGHVCAQ-CYBMUJFWSA-N 256.301 3.125 10 1 CGCF Cc1cc(C)c2c(c1O)[C@H](N)[C@@H](c1ccccc1)C2 26155628 JHVNHBFPJSLMTF-GDBMZVCRSA-N 253.345 3.349 10 1 CGCF C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)n1cccc1 1857767723 XJIDRPIVMBUTMQ-LLVKDONJSA-N 291.306 3.466 10 1 CGCF Cc1nn(-c2ccc(N)cc2)c2c1c(=O)oc1ccccc12 26751578 OBWGVNZKTJWCLG-UHFFFAOYSA-N 291.310 3.023 10 1 CGCF COc1c2occc2c(/N=N/N(C)C)c2ccc(=O)oc12 17109378 MLKGHFCMJOHJAE-FOCLMDBBSA-N 287.275 3.108 10 1 CGCF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@H]2C=CC[C@@H]21 59920150 DDOANMDPLIQWEZ-ZIBATOQPSA-N 275.323 3.151 10 3 CGCF Cc1ccc2oc(=O)c3c4cc(O)c(O)cc4oc3c2c1 8860379 GVQPZRCYVSSDEE-UHFFFAOYSA-N 282.251 3.412 10 1 CGCF CC[C@@H]1c2cccc3c2[C@@H](CNC3)c2ccc(O)c(O)c21 100578911 RPHXSTFLDZRMMM-RISCZKNCSA-N 281.355 3.188 10 1 CGCF COC1=C[C@H](c2ccccc2)C(=O)C(=O)[C@@H]1c1ccccc1 101722675 AXYKUSLHKJFTSV-NVXWUHKLSA-N 292.334 3.236 10 1 CGCF CN(C)[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 13557303 IFDQCFBQHUVXHV-CABCVRRESA-N 283.371 3.106 10 1 CGCF Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 96272449 HRCGTLOWYKJDFC-CYBMUJFWSA-N 281.355 3.158 10 1 CGCF Cc1cc2c(cc1C)C(O)=C(Br)C(=N)C2=O 1689553 YWIQEZMUPMDUAF-UHFFFAOYSA-N 280.121 3.141 10 1 CGCF COc1cc2c(c3ccc(C)cc13)C(=O)C(=O)C2(C)C 238789270 ULSVZSGCDLQDIP-UHFFFAOYSA-N 268.312 3.200 10 1 CGCF CC[C@@H]1C(=O)c2cc(OC)c(Cl)c(Cl)c2C1=O 100982357 SNBMLPCVMSSUFE-RXMQYKEDSA-N 273.115 3.407 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 587260069 NEAASEMOLYDLOS-UHFFFAOYSA-N 289.299 3.279 10 1 CGCF C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O 13319947 QOZFCKXEVSGWGS-HDYLQLRGSA-N 288.387 3.315 10 1 CGCF world Cc1cc(O)c2c(c1)N1CCCCN1[C@@H]2c1ccc(O)cc1 2356869183 XJAVZNOLDWOJIA-GOSISDBHSA-N 296.370 3.326 10 1 CGCF Nc1ccc(Oc2ccc3nc([C@@H]4CCOC4)[nH]c3c2)cc1 586912054 PINADAWYIPELRP-LLVKDONJSA-N 295.342 3.441 10 1 CGCF CCOC(=O)/N=N/C(=O)Nc1cccc(Cl)c1 28948508 QLCUSEFCZNJSDM-BUHFOSPRSA-N 255.661 3.481 10 1 CGCF Cc1ccc(C(=O)NC(C)(C)C)cc1/N=N/N(C)C 17993899 YKBQWHVGBNVUCO-WUKNDPDISA-N 262.357 3.084 10 1 CGCF CCCN(CCC)C[C@@H]1CCc2c1ccc(O)c2O 29209049 VFMWRAMNGHDSBN-LBPRGKRZSA-N 263.381 3.250 10 1 CGCF COc1ccc(N2CC[N+](C)(Cc3ccccc3)CC2)cc1 66097765 BOKFHOYUDJYQRI-UHFFFAOYSA-N 297.422 3.162 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc(F)c1 96921812 YJNXUJQSTUEYGU-MRXNPFEDSA-N 270.307 3.312 10 1 CGCF CC[C@@H](c1ccc(O)c(O)c1)c1ccc(O)c(OC)c1 72142915 OTLAADMCZYSNQL-LBPRGKRZSA-N 274.316 3.354 10 1 CGCF Cc1ccccc1N1N=C2COc3ccccc3C=C2C1=O 103256961 UJXZQSHGZGTDHH-UHFFFAOYSA-N 290.322 3.174 10 1 CGCF COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@@H]2c2ccccc2)cc1 44138388 VGSYRQWHQGIGGJ-CABCVRRESA-N 294.314 3.462 10 1 CGCF Cc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 40846701 QRJZCXSRTBCYIW-CQSZACIVSA-N 281.355 3.158 10 1 CGCF in-vivo CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(F)cc1 58631377 SHHZJJQDHIHCBM-KRWDZBQOSA-N 298.317 3.229 10 1 CGCF COC(=O)/C(=C/c1ccc(Cl)cc1)CN=[N+]=[N-] 95559178 OSTOIOWVICLLQB-RMKNXTFCSA-N 251.673 3.207 10 1 CGCF CCOC(=O)[C@H]1Nc2ccc(C)cc2[C@@H]2C=CC[C@H]12 169302506 RGNXIZHUUSNBBD-XUJVJEKNSA-N 257.333 3.012 10 1 CGCF CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(O)c1 1857758466 BZSMUIBFQYJFOC-FNORWQNLSA-N 291.391 3.487 10 1 CGCF Cc1ccc2c(c1)NC(=O)[C@@](N=[N+]=[N-])(c1ccccc1)C2=O 73297975 RYJIXOVRQQHKDY-MRXNPFEDSA-N 292.298 3.336 10 1 CGCF COc1cccc(/N=N\c2c(=O)[nH]n3c(C)cc(C)nc23)c1 17720341 PWPIGWJNDFXEFO-ZCXUNETKSA-N 297.318 3.063 10 1 CGCF COc1ccc(N2CC[N+]3(CCc4ccccc43)CC2)cc1 66079389 RNSZFVAAYKWBKX-UHFFFAOYSA-N 295.406 3.079 10 1 CGCF O=C(/C=C/C=C/C=C/c1ccc(O)c(O)c1)N1CCCCC1 1857535483 WKRCMFSMAKHFIZ-UMYWTXKFSA-N 299.370 3.236 10 1 CGCF Oc1ccc(/N=N/c2ccc3c(c2)OCCO3)c(O)c1 101738813 WSTAZLFQFPBEJK-FOCLMDBBSA-N 272.260 3.284 10 1 CGCF Cc1ccc2ncc3c(c2c1)C(=O)c1ccccc1C3=O 73219287 BPGXUVJBXNTNDA-UHFFFAOYSA-N 273.291 3.319 10 1 CGCF Cc1nc(C(C)C)cc2c1C(=O)c1ccccc1C2=O 96934757 QHQSKHJTJNUGFQ-UHFFFAOYSA-N 265.312 3.289 10 1 CGCF COC1=C[C@@H](c2ccccc2)C(=O)C(=O)[C@H]1c1ccccc1 101722691 AXYKUSLHKJFTSV-RDJZCZTQSA-N 292.334 3.236 10 1 CGCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccco1 253961053 OJUZLPMHOJWBKE-UHFFFAOYSA-N 255.233 3.391 10 1 CGCF C[C@@H]1C[C@H]2NCc3ccccc3[C@@H]2c2cc(O)c(O)cc21 72105318 PRIPPFKYKFCHKC-QEIWDELWSA-N 281.355 3.209 10 1 CGCF CCOC(=O)c1cc(C(=S)c2ccccc2)sc1N 958016715 PNRVRTVXNZFBHB-UHFFFAOYSA-N 291.397 3.273 10 1 CGCF Cc1cc(C)c2c(c1O)[C@@H](N)[C@@H](Cc1ccccc1)C2 26156645 IDQRKKARIIAQGA-YOEHRIQHSA-N 267.372 3.424 10 1 CGCF CC(=O)N[C@@H](c1cc(Cl)c2cccnc2c1O)C1CC1 36388631 MWBPUFDYIDUJIE-CYBMUJFWSA-N 290.750 3.181 10 3 CGCF CN(C)c1ccc(C2=C(c3ccc(F)cc3)COC2=O)cc1 299841460 ZXUGXZQIRPJHEJ-UHFFFAOYSA-N 297.329 3.359 10 1 CGCF CC(=O)Nc1ccc(/C=C/c2ccc(O)c(O)c2)cc1 87722556 GGXBCSFQFOQXSS-NSCUHMNNSA-N 269.300 3.227 10 1 CGCF COc1c(CC=Cc2ccccc2)ccc(O)c1O 2356465501 WGXMQVRYJCAUFL-UHFFFAOYSA-N 256.301 3.362 10 1 CGCF Nc1ccc(C[C@@H]2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)cc1 96938715 OSXVPYQOIYICJC-JLSDUUJJSA-N 291.398 3.494 10 1 CGCF COc1ccc(/C=C2\SC(c3cccnc3)=NC2=O)cc1 299828194 HAPSPMBYAYCUKQ-ZROIWOOFSA-N 296.351 3.151 10 1 CGCF COc1ccc2c(c1)[C@@H](CC(=O)O)CN2Cc1ccccc1 45389581 KCMCHPLAMOCHAG-AWEZNQCLSA-N 297.354 3.274 10 1 CGCF Cc1sc(N=Nc2ccc(N(C)C)cc2)[n+]([O-])c1C 254046154 NIXOOBUERJJUAE-UHFFFAOYSA-N 276.365 3.480 10 3 CGCF CCN1Cc2ccccc2[C@H](c2ccc(O)c(O)c2)C1 29237468 OKBAOLVVTVJJID-HNNXBMFYSA-N 269.344 3.065 10 1 CGCF CCOC(=O)c1c(O)csc1Nc1ccccc1 169730445 JQCXKSVBPAWHSV-UHFFFAOYSA-N 263.318 3.374 10 1 CGCF O=C(/C=C/c1cccc(O)c1O)OCCCc1ccccc1 1857542483 KCXIEBKMKZEPRK-VAWYXSNFSA-N 298.338 3.287 10 1 CGCF C[C@H](O)[C@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@@H]32 2356507811 HQTLEKPEIKFCPQ-BKTGTZMESA-N 296.414 3.105 10 1 CGCF C[C@H]1c2cccc3c2[C@@H](CN1C)c1ccc(O)c(O)c1C3 13479458 IOOBOXRVKPVBIV-BONVTDFDSA-N 281.355 3.140 10 1 CGCF O=S(=O)(Nc1ccccc1)Nc1cccc2cccnc12 205624052 LOOUZQUFPNYNKF-UHFFFAOYSA-N 299.355 3.004 10 1 CGCF [N-]=[N+]=NCCCCCCc1nc2ccnc(O)c2[nH]1 587259561 DXSAJNITEHLPBB-UHFFFAOYSA-N 260.301 3.077 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1 96921807 YSQRQGMZNLYUQZ-INIZCTEOSA-N 252.317 3.173 10 1 CGCF O=c1cc(-c2ccccc2)oc2c(O)c(O)cc(F)c12 95563741 YFKVKDODFDVTFG-UHFFFAOYSA-N 272.231 3.010 10 1 CGCF Cc1ccc([C@@H]2CC(c3ccc(O)cc3O)=NN2C)cc1 96921783 NUNCAFOYGRAGIN-INIZCTEOSA-N 282.343 3.187 10 1 CGCF CCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc21 12405467 DFUMBVBEFBNTNQ-SNVBAGLBSA-N 288.359 3.230 10 1 CGCF CN1CCc2cc(O)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21 29554139 AWVUOGSYHGHVNB-QFBILLFUSA-N 295.382 3.032 10 1 CGCF Cc1c(/N=N/c2cccc(O)c(=O)c2)cccc1[N+](=O)[O-] 1857641911 SAPDFDAXGHMPSW-FOCLMDBBSA-N 285.259 3.384 10 1 CGCF COc1c(O)cc2ccc3cc(O)c(O)cc3c2c1OC 14650724 ZCUHWXPUUUDIEF-UHFFFAOYSA-N 286.283 3.127 10 1 CGCF CCOc1ccc([C@@H]2CC(c3ccccc3O)=NN2)cc1 120713 FRGUMOXJCPYXMH-HNNXBMFYSA-N 282.343 3.230 10 1 CGCF O=C(O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 2390279 AXSHRZCSKZMLCK-SBMIAAHKSA-N 299.248 3.124 10 1 CGCF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@@H]2C=CC[C@@H]12 15952455 DDOANMDPLIQWEZ-UEKVPHQBSA-N 275.323 3.151 10 3 CGCF Nc1ccc(Nc2nc3ccccc3c3[nH]nc(N)c23)cc1 1772656773 WFMKTRARJADETK-UHFFFAOYSA-N 290.330 3.019 10 1 CGCF Cc1cc(-c2nnc3n2CCC3)c(C)n1-c1ccccc1 5986617 LJFJOPIBOUQNIH-UHFFFAOYSA-N 278.359 3.299 10 1 CGCF C[C@@H](COc1ccccc1)/N=N/c1nc(O)cs1 169728445 UXUUVYNIDODIRZ-SOLLPLKKSA-N 263.322 3.400 10 1 CGCF CC(C)[C@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@@H]21 265069 IPGTXKITVRJXEC-TYNCELHUSA-N 257.333 3.495 10 1 CGCF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCN=[N+]=[N-])O2 587389069 ISODPFJLGITLPK-VIFPVBQESA-N 260.297 3.002 10 1 CGCF CCC[C@H](C)n1c(C)nc2c1C(=O)c1ccccc1C2=O 5501853 QJQFFLAMFYEEEG-JTQLQIEISA-N 282.343 3.328 10 1 CGCF O=[N+]([O-])c1ccc(C/N=N/c2nc(O)cs2)cc1 169723080 BGIWKKZONAGBAC-ACCUITESSA-N 264.266 3.041 10 1 CGCF OCc1ccccc1NCc1cc2occc2cc1O 28007657 ZCKRVNWVDSBFMV-UHFFFAOYSA-N 269.300 3.243 10 1 CGCF CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(C)n1 135871290 PTGGDRRQXKZSJA-PTNGSMBKSA-N 292.342 3.109 10 3 CGCF COc1ccc(CC=Cc2ccc(O)c(O)c2)c(O)c1 2356488345 JIXOYGPEWODAPR-UHFFFAOYSA-N 272.300 3.068 10 1 CGCF COc1cc2cc(O)c(O)c(OC)c2c2c(O)cccc12 28971873 GSABLXRGQAKZDS-UHFFFAOYSA-N 286.283 3.127 10 1 CGCF biogenic,in-vitro CN(C)c1ccc(/C=C/C=C/C(=O)N2CCCCC2)cc1 1772656069 VGKXUOZWINDTIE-KBXRYBNXSA-N 284.403 3.335 10 1 CGCF Cc1ccc2c(C(=O)O)c(O)c(O)c(C(C)C)c2c1 6522976 OLCFWQNMCDUEMF-UHFFFAOYSA-N 260.289 3.381 10 1 CGCF Oc1cc2cc(-c3c(O)c(O)cc4[nH]ccc34)[nH]c2cc1O 85591995 KXVRIZRVTJPCMG-UHFFFAOYSA-N 296.282 3.139 10 1 CGCF in-vitro Cc1cc(C)c2[nH]c(O)c(N=NC3=NC(=O)CS3)c2c1 253960917 CBAWVODPLFZBDI-UHFFFAOYSA-N 288.332 3.203 10 1 CGCF CN1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(F)cc1 96921814 YMHTURNNYYRQBS-MRXNPFEDSA-N 270.307 3.312 10 1 CGCF O=S(=O)(O)c1cccc(/N=N/c2ccccc2)c1 59389738 NUUWITGRVBOIOF-BUHFOSPRSA-N 262.290 3.349 10 1 CGCF in-vitro CN(C)[C@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 26571926 IFDQCFBQHUVXHV-LSDHHAIUSA-N 283.371 3.106 10 1 CGCF O=C(C(=O)c1cccc(F)c1F)c1cccc(F)c1F 28713886 LJRGNWLITYAYFC-UHFFFAOYSA-N 282.192 3.309 10 1 CGCF in-vivo CN(C)c1ccc(/C=C2\C(=O)Nc3cc(F)ccc32)cc1 13780150 LOKIDPYAWKSLHG-DHDCSXOGSA-N 282.318 3.384 10 1 CGCF CCOC(=O)N1CCN(/C=C/N=N/c2ccccc2)CC1 40833953 LWBQSVGWRPUYKA-AXBLMGCGSA-N 288.351 3.016 10 1 CGCF Cc1cc(O)cc2oc3c(c12)C(=O)c1ccccc1C3=O 13651660 GMGJENRGWASGDO-UHFFFAOYSA-N 278.263 3.222 10 1 CGCF Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 58581107 FKYWSGYMKJUZEP-ZOBUZTSGSA-N 295.382 3.131 10 1 CGCF Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)CS2 169341220 KDVMIECWYDCMIN-CYBMUJFWSA-N 276.313 3.029 10 1 CGCF CN(C)c1ccc(-c2nc3c(s2)[C@@H](O)CCC3)cc1 53296910 HMANXAFVUFXDNZ-ZDUSSCGKSA-N 274.389 3.246 10 1 CGCF CCCCN(CCC)CCc1ccc(O)c(O)c1 5821169 RGTAZIDCEVLAOJ-UHFFFAOYSA-N 251.370 3.152 10 1 CGCF Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccccc1 252613713 JDBSGKGTKLQVEM-UHFFFAOYSA-N 278.319 3.452 10 1 CGCF O=Cc1cc2ccccc2c(CN2CCCCC2)c1O 169699751 XQZATKUVVVKTRP-UHFFFAOYSA-N 269.344 3.344 10 1 CGCF Oc1ccc2c3c(oc2c1)-c1cc(O)c(O)cc1CC3 653719077 IEJMKSDWKBHZJG-UHFFFAOYSA-N 268.268 3.315 10 1 CGCF