smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)Nc1ccc(N2N=C(C)/C(=C\c3ccccc3)C2=O)cc1 104188287 KJQCHRWJXANNAQ-LDADJPATSA-N 319.364 3.451 10 40 DGCB CCCCNC1=NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 4748081 OCFNSRDMLHCYCG-KAMYIIQDSA-N 303.431 3.113 10 40 DGCB CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 126635 LOFBQDMODQNQPO-LFIBNONCSA-N 310.328 3.236 10 40 DGCB Cc1ccccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 27530418 MBJMAXNUMDAXBN-FMIVXFBMSA-N 321.423 3.061 10 40 DGCB COc1ccc(CCN[C@@H](C)c2ccccc2O)cc1OC 89909760 IYDLRECWRZIPMP-ZDUSSCGKSA-N 301.386 3.303 10 40 DGCB CCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)NC1=S 409132276 ZEBRBEYOTOLWKE-GDNBJRDFSA-N 317.458 3.298 10 40 DGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccn1 101346818 NRJATFIOZGMZDZ-WJDWOHSUSA-N 306.369 3.417 10 40 DGCB O=C(NCc1ccc(N2CCCC2)cc1)Nc1nccs1 43160217 MZVKQIOZUFWBFV-UHFFFAOYSA-N 302.403 3.065 10 40 DGCB Nc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 20185842 GMQNQMYRKTYYPF-UHFFFAOYSA-N 305.175 3.213 10 40 DGCB COCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 28328921 FCJAAYBTKMRTLJ-UHFFFAOYSA-N 324.424 3.363 10 40 DGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccs1 14099536 KJCGEOUJCHJXEF-UHFFFAOYSA-N 324.471 3.025 10 40 DGCB Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1ccccc1F 19296382 XPZJTRZLNSNCMX-UHFFFAOYSA-N 324.355 3.278 10 40 DGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)[C@H](C)CO)c2C)c1 95979636 NHYCWPBDMZRKJW-OAHLLOKOSA-N 314.429 3.164 10 40 DGCB COc1ccc(Br)cc1C(=O)Nc1ccc(N)cc1 160405477 PNONSZSTZCBILM-UHFFFAOYSA-N 321.174 3.292 10 40 DGCB Cc1nc2ccccc2n1CCNCc1ccc(N(C)C)cc1 32750798 PXTWRZJWNCWMLS-UHFFFAOYSA-N 308.429 3.201 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cn1 100932477 OYFYWXCSPDVQNH-GXDHUFHOSA-N 312.760 3.454 10 40 DGCB COc1ccc(OC)c(CNCc2cc(Cl)ccc2O)c1 40477037 WAWILRCUOPIOSW-UHFFFAOYSA-N 307.777 3.353 10 40 DGCB CSCCCN1C(=O)/C(=C/c2cccnc2)SC1=S 96930748 ZYVJSWXEUHKZIF-FLIBITNWSA-N 310.469 3.036 10 40 DGCB CCN1C(=O)C(=CCCC2CCCCC2)C(=O)N(CC)C1=S 16681445 ZSPMJTNUTAQSOJ-UHFFFAOYSA-N 322.474 3.269 10 40 DGCB COc1ccc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1 69618927 POAUHWYMUQBFSC-UHFFFAOYSA-N 304.434 3.216 10 40 DGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1ccccc1 437754 GJZBEHWMAWWIHF-MBXCTOFRSA-N 324.767 3.358 10 40 DGCB COc1ccc(CN[C@H](Cn2cncn2)c2ccccc2)cc1C 71796161 GNCDSYNQMSTFQE-GOSISDBHSA-N 322.412 3.126 10 40 DGCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1cccc(C(F)(F)F)c1 100408757 XZROVUWDELEQKG-YVMONPNESA-N 323.196 3.049 10 40 DGCB c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2CCC[C@@H]21 92485593 GQXMMVGSWMXUHF-HKUYNNGSSA-N 300.446 3.288 10 40 DGCB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccccc2O)C1 12183895 XLNYPDJRZBBYCK-OAHLLOKOSA-N 324.380 3.137 10 40 DGCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1Cc1ccco1 35038783 LBCUOTDHEUOZTI-MDWZMJQESA-N 317.391 3.387 10 40 DGCB COc1ccc(C2=C/C(=C/c3ccc(O)cc3O)C(=O)O2)cc1 1686902 ZOHPXEDJWXZOLY-JYRVWZFOSA-N 310.305 3.088 10 40 DGCB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1O)NCC2 36313 PNAGXZKDAYOFFI-LJQANCHMSA-N 313.397 3.425 10 40 DGCB CCOc1cccc(CNc2cccc(C(=O)OC)c2)c1O 40477108 QIVJFHFOMYEXBQ-UHFFFAOYSA-N 301.342 3.190 10 40 DGCB COc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 6793607 KJFJLNPWGCLSDQ-LCYFTJDESA-N 316.407 3.429 10 40 DGCB CN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)ccc1N 1588156256 RPFGTHCJSZYXBQ-UHFFFAOYSA-N 324.302 3.265 10 40 DGCB C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1 2291466 QOOPSMQEDCXXCO-JLHYYAGUSA-N 322.817 3.033 10 40 DGCB COc1cc(N(C)Cc2ccc(Cl)nc2)cc(OC)c1OC 96424742 XMPSDBPTSQBCBF-UHFFFAOYSA-N 322.792 3.397 10 40 DGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCCC1 4844179 IBRXRSDESDDMOL-VHEBQXMUSA-N 316.361 3.448 10 40 DGCB CCN(/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O)CC 5866046 HAXOHSVDCQVYOK-RAXLEYEMSA-N 322.455 3.243 10 40 DGCB Oc1cc2c(cc1[C@H](c1ccc(F)cc1)N1CCCC1)OCO2 6512624 OFNMYFVUPBJXHE-SFHVURJKSA-N 315.344 3.445 10 40 DGCB O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccccc1 37866363 LUQDLMPMKVOELA-UVTDQMKNSA-N 312.419 3.483 10 40 DGCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C)cc2)C(C(=O)OC)=C1C 409012228 JYKLBNLUBYVTFV-RERGGYADSA-N 313.397 3.466 10 40 DGCB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCc2ccccc21 15580180 JNNXZFOJPNUHSK-ZHACJKMWSA-N 315.376 3.475 10 40 DGCB C[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 69459373 FTEIHNWPLKHLCX-IAQYHMDHSA-N 324.371 3.029 10 40 DGCB CCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 2172628 SQVCYPSUYNVCAD-RBUKOAKNSA-N 313.397 3.152 10 40 DGCB c1csc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1 69531070 BHZUKODHZOSQLE-UHFFFAOYSA-N 319.367 3.214 10 40 DGCB CCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48354831 KGNJKWASZFZODW-OKILXGFUSA-N 322.424 3.246 10 40 DGCB CCOC(=O)c1n[nH]c(-c2ccc(Cl)cc2)c1/N=N/N(C)C 18085269 HIWPVWMBHFDBLC-VHEBQXMUSA-N 321.768 3.467 10 40 DGCB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCSc2ccccc21 32997884 IGHPQYNCJMMTGX-CMDGGOBGSA-N 313.426 3.189 10 40 DGCB CN(C)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1 12557398 DGMBJPCMMGOCQI-UHFFFAOYSA-N 321.424 3.483 10 40 DGCB Cc1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 41083277 JDCCGIBORCPKHN-XWFJYDPRSA-N 312.398 3.270 10 40 DGCB CC(C)c1nn(C)cc1CNCCCSc1nccs1 76017863 JHYWQTYZTVLSJN-UHFFFAOYSA-N 310.492 3.272 10 40 DGCB Cc1cc(C)n2nc(N)c(/N=N/c3cccc([N+](=O)[O-])c3)c2n1 3848951 PFRCRJPFGFOPEN-ISLYRVAYSA-N 311.305 3.252 10 40 DGCB CCCCN1C(=O)/C(=C\c2cccc(F)c2)C(C(=O)OC)=C1C 409201930 RHSYKMPATSGUOQ-PTNGSMBKSA-N 317.360 3.298 10 40 DGCB CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccccc1O 89947918 NBSFPUHAYQWXFT-INIZCTEOSA-N 315.369 3.291 10 40 DGCB Nc1ccc(Cc2nc(COc3ccccc3Cl)no2)cc1 226104657 GAQHCEOPILOOJI-UHFFFAOYSA-N 315.760 3.475 10 40 DGCB C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)C1 85542 DULXBHJAQXWLMK-RLIURORJSA-N 302.399 3.094 10 40 DGCB COc1ccc(O)c([C@@H]2NN=C(c3ccc(C)cc3)S2)c1 4974130 ICQWKDZWPXXRJQ-MRXNPFEDSA-N 300.383 3.406 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C\c1csc(C2CC2)n1 66406791 KGQWQCALONOLKQ-WQLSENKSSA-N 319.455 3.477 10 40 DGCB CCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409131487 JOMNHGSBFFNBIT-JYRVWZFOSA-N 302.424 3.492 10 40 DGCB c1ccc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)cc1 12144196 JZSVBEOERCDIDF-UHFFFAOYSA-N 310.397 3.174 10 40 DGCB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 4525644 PEZPYQZHRLQPHO-PSLIRLAXSA-N 314.410 3.433 10 40 DGCB O=C(NCCCSc1nccs1)N1C[C@@H]2CCC[C@H]2C1 95413625 CSVMRCMUKPUPLG-RYUDHWBXSA-N 311.476 3.067 10 40 DGCB Oc1ccc2ccccc2c1[C@H](c1cccnc1)N1CCOCC1 25702028 QYGOXPAMLAJPAB-FQEVSTJZSA-N 320.392 3.362 10 40 DGCB O=c1oc2c(CNC3CCCCC3)c(O)ccc2c2c1CCC2 9051760 ULJGIDJNIRKEHN-UHFFFAOYSA-N 313.397 3.410 10 40 DGCB CCOC(=O)c1ccccc1NCc1cccc(OC)c1O 44836321 MMPGEUPXCCEGOO-UHFFFAOYSA-N 301.342 3.190 10 40 DGCB Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 178429 OHYANXFRLWWXKU-SFQUDFHCSA-N 306.365 3.406 10 40 DGCB CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 7243688 PQVILWHBXVUDJQ-UHFFFAOYSA-N 306.768 3.475 10 40 DGCB CCOC(=O)c1cc(C)n(-c2cccc3nsnc23)c1C 500716 AWJINILYWIFTJY-UHFFFAOYSA-N 301.371 3.276 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCC1 112107377 MVISSNWNCDUSEQ-WJDWOHSUSA-N 301.365 3.354 10 40 DGCB CC(=O)[C@@H](/N=N/c1ccccc1)S(=O)(=O)c1ccccc1 104375110 DZEWBOZLQJLYJP-MWWIPNPYSA-N 302.355 3.159 10 40 DGCB Cc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(C)c1O 96759409 HQGUNIKFDMFJSQ-GXDHUFHOSA-N 316.426 3.465 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 100312709 RPCALRBJAYDENZ-OQLLNIDSSA-N 306.321 3.221 10 40 DGCB COc1ccc(O)c([C@@H](C)NCCCCn2ccnc2C)c1 97033263 LPMHQZGTYSQYFB-CYBMUJFWSA-N 303.406 3.037 10 40 DGCB COc1ccc(/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)cc1 33556044 ZLKGXALCMPDTPD-XBUHWIKASA-N 316.426 3.397 10 40 DGCB COCc1ccccc1NC(=O)N(C)Cc1ccccc1O 47521070 DEESYTNCLGUXNG-UHFFFAOYSA-N 300.358 3.203 10 40 DGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccco1 408891593 AGIQUOUNPVHFQF-PTNGSMBKSA-N 309.321 3.157 10 40 DGCB Cc1occc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 71808912 MGETYZSJWAHCQW-HNNXBMFYSA-N 315.369 3.115 10 40 DGCB Cc1cccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3)C2=O)c1 4471027 AVLPCGVZDHUZLE-GDNBJRDFSA-N 312.756 3.110 10 40 DGCB Cc1ccc(S(=O)(=O)/N=N/[C@@H]2[C@@H]3[C@H]4C[C@@H]2C(C)(C)[C@H]43)cc1 104111549 UYCKWHNXMAPIRN-FOCPTRCZSA-N 304.415 3.426 10 40 DGCB CC[C@@H](C)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1O 95432874 KQKORWIMIAZBHO-CYBMUJFWSA-N 323.414 3.116 10 40 DGCB CCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 208667746 KOLMUSWFEHLZMU-FLIBITNWSA-N 308.384 3.206 10 40 DGCB Cc1cn2nc(NCc3ccc(N4CCCC4)cc3)sc2n1 29625253 QNRJFVGUIOHKSI-UHFFFAOYSA-N 313.430 3.312 10 40 DGCB Nc1c(Cl)cc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1Cl 13603362 TZQAIIPKQXLDSR-IUCAKERBSA-N 313.184 3.255 10 40 DGCB Oc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1O 12113853 NEPRSOCVGBPLFL-UHFFFAOYSA-N 322.324 3.013 10 40 DGCB CN(Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OCO2 7777332 UYLBYMXYKLSSQI-UHFFFAOYSA-N 311.790 3.468 10 40 DGCB COc1cccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)c1 5374433 UGDLXLFPQGRXBC-GXDHUFHOSA-N 313.382 3.116 10 40 DGCB O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccccc1F 79268759 QOJZCPDUYPZYLB-UHFFFAOYSA-N 324.358 3.343 10 40 DGCB CCc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O 215694 IEDJIPFUNKQQEE-UHFFFAOYSA-N 315.369 3.305 10 40 DGCB CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 58865762 KQEGZBMWYYQOTH-UHFFFAOYSA-N 316.353 3.229 10 40 DGCB O=c1[nH]c(CSc2nccs2)nc2sc3c(c12)CCC3 48874560 DEGRHBZZKAHVHS-UHFFFAOYSA-N 321.452 3.222 10 40 DGCB CC(C)=C1SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O 91233 FUJGUNSRZKFICH-UHFFFAOYSA-N 315.442 3.040 10 40 DGCB Cc1cnc(N2C(=O)CS[C@H]2c2ccc(N(C)C)cc2)s1 19927005 CIJOIQWPFUTNQF-AWEZNQCLSA-N 319.455 3.296 10 40 DGCB C[C@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc2S1 40146586 GOJILPGCUOYYPJ-YBJDMEARSA-N 311.410 3.407 10 40 DGCB Cc1ccc(C)c(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c1 2172642 GFCDDMGBIWLLGB-MOPGFXCFSA-N 313.397 3.206 10 40 DGCB COc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 63969 VDJDXEMKWDEIFK-SDNWHVSQSA-N 302.399 3.151 10 40 DGCB COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1 13560427 DBHNGALCTKSHMU-SFHVURJKSA-N 310.353 3.098 10 40 DGCB CCOC(=O)c1n[nH]c(-c2ccc(Cl)cc2)c1/N=N\N(C)C 104127849 HIWPVWMBHFDBLC-HNENSFHCSA-N 321.768 3.467 10 40 DGCB O=C(NCCCSc1nccs1)N1C[C@H]2CC=CC[C@H]2C1 89885335 ALDYXTZDPOZMDR-BETUJISGSA-N 323.487 3.233 10 40 DGCB CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1C 13470590 SILODKDSVLUJMH-BOPFTXTBSA-N 323.396 3.218 10 40 DGCB CC[C@@H](NC1CCN(C(=O)OC(C)C)CC1)c1ccccc1O 156554243 ILEHGQLFAPBSEB-MRXNPFEDSA-N 320.433 3.442 10 40 DGCB COC(=O)c1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1 32824933 YGKDCDRTHRPJEP-UHFFFAOYSA-N 313.397 3.428 10 40 DGCB Oc1ccccc1CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49169359 LVLVLJWBKNRCMS-INIZCTEOSA-N 321.380 3.432 10 40 DGCB biogenic,in-vitro CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C\c1ccco1 17218436 KCGQXFWBLOSCRZ-ZROIWOOFSA-N 314.728 3.375 10 40 DGCB COc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(F)c1 102447798 UFVOHPFTIKRPAM-FOCLMDBBSA-N 310.306 3.496 10 40 DGCB Oc1c([C@@H](c2ccccc2)N2CCOCC2)ccc2cccnc12 19680928 QEEPFVBIIRLELX-LJQANCHMSA-N 320.392 3.362 10 40 DGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccs1 100147570 PUKRTSOVAYQRPV-NTEUORMPSA-N 312.350 3.252 10 40 DGCB Nc1ccc(N2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 11569722 SKAGCIQRSWGOIS-UHFFFAOYSA-N 320.440 3.115 10 40 DGCB CCOC(=O)c1sc2nc3c(cc2c1N)CO[C@H](C(C)C)C3 530389 HDXHTMRMDSYHKZ-LBPRGKRZSA-N 320.414 3.153 10 40 DGCB O=[N+]([O-])c1cc2c(c(CSc3nccs3)c1)OCOC2 48874339 VNXYNLLIEXYQKN-UHFFFAOYSA-N 310.356 3.210 10 40 DGCB Cn1cccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 34714780 XKNJVCWXLWVRTQ-JLHYYAGUSA-N 300.408 3.431 10 40 DGCB Oc1cc2c(cc1[C@H](c1ccc(F)cc1)n1ccnc1)OCO2 5606226 WOTHQAYNAPHLDM-KRWDZBQOSA-N 312.300 3.094 10 40 DGCB in-vivo COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccco1 509589 CLHJSIOPZQWFME-WJDWOHSUSA-N 323.348 3.152 10 40 DGCB S=C(NNc1ccccc1)Nc1ccc2snnc2c1 408996450 PCAILFNPKYZOBE-UHFFFAOYSA-N 301.400 3.005 10 40 DGCB C[C@H](c1ccccn1)N(C)Cc1ccc(N2CCOCC2)cc1 96486658 AFVTXHKWDMEBPO-MRXNPFEDSA-N 311.429 3.111 10 40 DGCB Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c1 190700 LOFXKKHDHNZXJF-SFQUDFHCSA-N 306.365 3.406 10 40 DGCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1 547045 XVKRRWZNNASLFP-QGZVFWFLSA-N 310.353 3.098 10 40 DGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NCc1ccccc1 408528976 GOLXPCBKJBKXMK-AQTBWJFISA-N 305.381 3.391 10 40 DGCB COc1ccc(O)c(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c1 6646187 QHIOSDYSURDXJN-CQSZACIVSA-N 302.761 3.493 10 40 DGCB biogenic CCOC(=O)N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1 28940819 GKYSPZBISAEWLF-UHFFFAOYSA-N 320.433 3.098 10 40 DGCB Cc1nc2ccc(C(=O)N(C)Cc3ccccc3O)cc2nc1C 42116677 YPRFHNYAAVSASV-UHFFFAOYSA-N 321.380 3.224 10 40 DGCB Cc1c(N[C@H](C)c2cc(F)ccc2O)cnn1[C@@H]1CCOC1 585086974 BMUDOBDDYOWXKP-ZWNOBZJWSA-N 305.353 3.171 10 40 DGCB Cc1cc(C)c2cc(CNc3ccc(O)c(O)c3)c(=O)[nH]c2c1 12144349 WUYQSAFNTOMPRP-UHFFFAOYSA-N 310.353 3.168 10 40 DGCB COc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc(O)c1O 62001502 PESGHZBRPODIGP-WCIBSUBMSA-N 317.728 3.253 10 40 DGCB biogenic Cc1n[nH]c(C)c1NC(=O)/C=C/c1ccc2c(c1)CCCN2C 61403556 XUTLOTLCLLCVEY-VQHVLOKHSA-N 310.401 3.061 10 40 DGCB C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2O)N[C@@H]1c1ccccc1O 58171942 KRXSFOJTJIEHNA-CMKMFDCUSA-N 311.381 3.325 10 40 DGCB Cc1ccc(C2=NN[C@H](c3cc([N+](=O)[O-])ccc3O)S2)cc1 35189295 SKFMBVBJQDLJBF-HNNXBMFYSA-N 315.354 3.306 10 40 DGCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1cc(Cl)cc(Cl)c1 100408768 NZZVCOUGVDIHBO-XBXARRHUSA-N 324.089 3.337 10 40 DGCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(O)cc1 106692065 ARWYESJJQJIVAU-ZSOIEALJSA-N 314.366 3.124 10 40 DGCB O=C1/C(=C\c2ccccc2F)SC(=S)N1C[C@@H]1CCCO1 1220261 SPZIUJWGHLTEIQ-ZWSXMNCCSA-N 323.414 3.206 10 40 DGCB CC1=NNC(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 16661684 XKLLZIVCZOZFFL-JYRVWZFOSA-N 311.297 3.052 10 40 DGCB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1O 6590531 LBOVWPLMBQLZRQ-QGZVFWFLSA-N 324.380 3.489 10 40 DGCB Cc1c(C(=O)N(C)Cc2ccccc2O)oc2c1C(=O)CCC2 53916229 OTSAUFINNBZANI-UHFFFAOYSA-N 313.353 3.085 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccn2)cc1 13208792 DXEUAXDIXJRBPU-UHFFFAOYSA-N 305.381 3.419 10 40 DGCB COc1ccc(N2CCC(NC(=O)C[C@@H](C)C3CC3)CC2)cc1 69848801 NOJZCVQBHHLECY-CQSZACIVSA-N 316.445 3.216 10 40 DGCB COc1ccc(N2CCN(c3cc(Cl)ccc3N)CC2)cc1 256054690 XJOSMTDZXNYYJO-UHFFFAOYSA-N 317.820 3.257 10 40 DGCB CC(C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1188382 QNGQLFXXPOFBDK-LCYFTJDESA-N 306.456 3.362 10 40 DGCB COc1cccc([C@H]2CC(c3cccs3)=NN2C(C)=O)c1O 4942460 JFLKKUQCEHLWLI-CYBMUJFWSA-N 316.382 3.160 10 40 DGCB COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 12436793 GFGAGWQZEHNDMO-KAMYIIQDSA-N 302.399 3.151 10 40 DGCB CCN1C(=O)/C(=C\c2cccc(Cl)c2)C(C(=O)OC)=C1C 59435689 XWMSLBOLMSWTHO-LCYFTJDESA-N 305.761 3.033 10 40 DGCB CC(=O)[C@H](/N=N\c1ccccc1)S(=O)(=O)c1ccccc1 104375116 DZEWBOZLQJLYJP-KSPIOAOGSA-N 302.355 3.159 10 40 DGCB CCCCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 1867589 WCJZKFZBXCGZIL-UHFFFAOYSA-N 318.398 3.354 10 40 DGCB Cc1ccc(N2NC(=O)/C(=C\c3cccs3)C2=O)cc1Cl 176880 XZJVDGGIIOUKPF-XYOKQWHBSA-N 318.785 3.171 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 105847330 WTJVGFIPUJBCKI-XNTDXEJSSA-N 323.308 3.107 10 40 DGCB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccccc1O 4678662 SPGRTXNFMIKAJD-UHFFFAOYSA-N 324.340 3.313 10 40 DGCB CN(C)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 359815 JGRVCSTYUKBGCX-YBEGLDIGSA-N 310.328 3.236 10 40 DGCB Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(F)cc1 2640783 HKGZQNDFWJGGFR-UHFFFAOYSA-N 315.344 3.369 10 40 DGCB CC[C@H](NCc1cccnc1-n1ccnc1)c1ccccc1O 155085762 FRMSPYDSCMBARX-INIZCTEOSA-N 308.385 3.214 10 40 DGCB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)C2=O 118914399 HZDYOVALJZGFJH-NRNRTASOSA-N 302.414 3.058 10 40 DGCB S=C(NCc1ccccn1)Nc1ccc2sncc2c1 225172781 CQLRAVIIQYUJSE-UHFFFAOYSA-N 300.412 3.178 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1C(=O)O 59485196 KNQJCGZWUVXKBW-WJDWOHSUSA-N 306.321 3.191 10 40 DGCB CCCc1n[nH]c(=S)n1NCc1ccc(N2CCCC2)cc1 7365382 JSXXQVVLFPFRBN-UHFFFAOYSA-N 317.462 3.237 10 40 DGCB Nc1ccc(CC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 225469861 BFBIGWRJPPGSNU-LJQANCHMSA-N 308.425 3.435 10 40 DGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 56105711 PODPHSXVIVVYHY-UHFFFAOYSA-N 318.442 3.011 10 40 DGCB Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1 3323388 VPJWETKFJULLEF-UHFFFAOYSA-N 311.790 3.463 10 40 DGCB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=[N+]=[N-])C(=O)[C@@]3(C)CC[C@@H]21 104384897 QHLVLCORJUGIGW-FPXQBCRKSA-N 310.397 3.401 10 40 DGCB CN(C)c1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 14361376 JRJVWCTXVIACFS-GXDHUFHOSA-N 323.352 3.178 10 40 DGCB COc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)ccc1O 5372005 FZZQQWQRZMOSBS-WQLSENKSSA-N 323.439 3.401 10 40 DGCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1ccc(C(F)(F)F)cc1 100329344 HEZWGTIYBGODTP-YVMONPNESA-N 323.196 3.049 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 408904967 RGMOBPUAGKWOIT-LFIBNONCSA-N 320.348 3.264 10 40 DGCB Oc1ccc(Br)cc1CN1CC(C(F)(F)F)C1 585117229 VOPATLICWXQPJT-UHFFFAOYSA-N 310.113 3.149 10 40 DGCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccccc3F)o2)C(=O)O1 359389 LSMMEQANALCCNC-UHFFFAOYSA-N 316.284 3.305 10 40 DGCB COc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c1O 97105836 SUXAKKWOEMBVOM-INIZCTEOSA-N 310.353 3.098 10 40 DGCB CC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc23)CCO1 27537361 CNHGDQLCMUVKHI-AWEZNQCLSA-N 301.386 3.165 10 40 DGCB COc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1OC 54176308 OILPWNLWYOXGHS-ZDUSSCGKSA-N 313.397 3.490 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 27857794 FXAUIJBOQIUQDN-QAPCUYQASA-N 312.413 3.391 10 40 DGCB O=C(NCC(F)(F)F)N(Cc1ccccc1O)C1CCCC1 70005249 PCGTUJXCPCYORP-UHFFFAOYSA-N 316.323 3.409 10 40 DGCB CCCCNC1=NC(=O)/C(=C\c2ccc(OC)c(OC)c2)S1 4784156 CJCXMNSCIMOHOV-GXDHUFHOSA-N 320.414 3.064 10 40 DGCB Cc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2)c(C)s1 1075477 IWORMWOSTFKLJS-UHFFFAOYSA-N 311.428 3.488 10 40 DGCB CC1=NN(c2ccccc2C(=O)O)C(=O)[C@H]1/N=N/c1ccccc1 8435211 OGFXKWDLRDEHMI-MJWGMMHASA-N 322.324 3.260 10 40 DGCB CN1C(=O)[C@](Cc2ccccc2)(N=[N+]=[N-])C(=O)c2ccccc21 100931192 SNNVFMGAIDLDSB-QGZVFWFLSA-N 306.325 3.138 10 40 DGCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\C=C\c1ccco1 409135580 QLMRZSVPPXPFON-NDUUIVGLSA-N 324.361 3.236 10 40 DGCB CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 1132633 ABBSYEVTZRYOEH-UVTDQMKNSA-N 320.389 3.482 10 40 DGCB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 19575092 ZZNBERTYCTXZDQ-NVXWUHKLSA-N 317.452 3.094 10 40 DGCB CS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 21052478 HCTKSIUQQHVGGX-UHFFFAOYSA-N 311.790 3.061 10 40 DGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1ccccc1 6222588 OFAKCWHPAYFKDB-QSJINSDNSA-N 324.767 3.358 10 40 DGCB COc1ccc(/N=N/c2n(C)c3ccccc3[n+]2C)c(OC)c1 4797309 WTXDLGQLIFRGEN-UHFFFAOYSA-N 311.365 3.435 10 40 DGCB C[C@H]1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2S1 24585410 BMGZSTHTGOZGAB-GWJCSSMESA-N 313.426 3.351 10 40 DGCB c1cc2c(cc1CNCc1ccc3c(c1)OCCCO3)CCO2 67011213 LVLCAAXDBPIXPW-UHFFFAOYSA-N 311.381 3.073 10 40 DGCB O=C1/C(=C/Nc2nccs2)SC(=S)N1c1ccccc1 6062266 OYINWAXNJUVIOW-NTMALXAHSA-N 319.436 3.461 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NNc1ccccc1C 15930470 KWHIPSBMNKGGTM-WJDWOHSUSA-N 324.359 3.357 10 40 DGCB COC(=O)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 4682003 CZEAEVNIYVUWIA-ATVHPVEESA-N 320.348 3.279 10 40 DGCB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=[N+]=[N-])C(=O)[C@]3(C)CC[C@@H]21 104384894 QHLVLCORJUGIGW-IUVQAAGXSA-N 310.397 3.401 10 40 DGCB Cn1c(-c2ccccc2)cnc1SCc1ccc(C(N)=O)cc1 10197263 JZMSEPCMWGHBMF-UHFFFAOYSA-N 323.421 3.478 10 40 DGCB O=C1N=C(O)/C(=C/c2cccs2)C(=O)N1c1ccc(F)cc1 1306409 NERZNRJXHRGXOR-WQLSENKSSA-N 316.313 3.394 10 40 DGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc(O)cc1 5730814 WWVOHJYENBGNBH-LFIBNONCSA-N 307.353 3.419 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C\c1cccc([N+](=O)[O-])c1 12660618 CJRHUXADOURCCB-RAXLEYEMSA-N 317.370 3.051 10 40 DGCB Cc1cc(O)c(CN(C)CC(=O)N(C)C2CCCCC2)cc1C 48354151 KWKAWSQUGQDVHP-UHFFFAOYSA-N 318.461 3.232 10 40 DGCB COCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 71913552 CVXDCPSSCZEFGN-UHFFFAOYSA-N 320.433 3.273 10 40 DGCB CC(=O)[C@@H](/N=N\c1ccccc1)S(=O)(=O)c1ccccc1 104375107 DZEWBOZLQJLYJP-DZHJMQLISA-N 302.355 3.159 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 100147956 ADZQDMRTRBCTQK-LFIBNONCSA-N 306.321 3.191 10 40 DGCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 4356767 NZNCPQMVKMWZBQ-HQQGHWSLSA-N 321.423 3.059 10 40 DGCB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2C)cc1 24939438 VBHXMMLKPWQJSE-UHFFFAOYSA-N 315.442 3.110 10 40 DGCB CN(C)c1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 15134462 DCBWTBUHINHBJM-UHFFFAOYSA-N 306.768 3.475 10 40 DGCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC(C)C 22228798 MJEKAALCLLRVOE-UHFFFAOYSA-N 317.458 3.495 10 40 DGCB CN(C)Cc1c(O)ccc2cc(-c3ccc(F)cc3)c(=O)oc12 1236764 YNQQXOMKCPKVEG-UHFFFAOYSA-N 313.328 3.366 10 40 DGCB Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 3441657 CYNLKHYCTVXKQK-UHFFFAOYSA-N 317.197 3.376 10 40 DGCB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1O)N[C@H]2c1ccccc1O 13778129 VPRRXGCLWRHPQO-FDCRZUCXSA-N 323.392 3.469 10 40 DGCB COc1cccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1O 72395105 QAIORNXVGJQYOO-XJKSGUPXSA-N 316.401 3.198 10 40 DGCB COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(C)cc1N 4523138 RFHAPRIQUZZKDJ-WUKNDPDISA-N 321.358 3.248 10 40 DGCB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(N)cc2)C1 36075397 DHGWCWNUTGCGDP-ZDUSSCGKSA-N 305.422 3.328 10 40 DGCB in-vitro CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)cc1O 408722651 AZKWDIFKMWYBDK-PTNGSMBKSA-N 307.353 3.419 10 40 DGCB COc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1 69475724 OLWHKCCECNTAGO-UHFFFAOYSA-N 309.369 3.163 10 40 DGCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O 100369701 GCWMEIGAYZAGAU-RVDMUPIBSA-N 308.337 3.207 10 40 DGCB CC(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 48345826 HHBSWSQJMPNCCJ-KBPBESRZSA-N 322.424 3.102 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccncc2)cc1 12483201 MOWPYPBKSQCCLX-UHFFFAOYSA-N 305.381 3.419 10 40 DGCB O=C1CCCN1c1cccc(CNCc2ccc3c(c2)CCO3)c1 54174959 UYFXXTWKABPRSA-UHFFFAOYSA-N 322.408 3.038 10 40 DGCB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S 38704529 BOIVJFMBZMPHEU-BENRWUELSA-N 322.455 3.491 10 40 DGCB C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)c1ccccc1C2=O 19576375 PKKQIQKRVNDWFM-PXNSSMCTSA-N 305.377 3.204 10 40 DGCB CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccco2)C1=O 521918 ADPKBBDKAZAPRT-JLHYYAGUSA-N 310.309 3.349 10 40 DGCB CCN(CC)c1ccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)cc1 13776621 RQVBGXAJFORDKD-GBESFXJTSA-N 302.462 3.489 10 40 DGCB CC(=O)NC1=NC(=O)/C(=C\c2c(Cl)cccc2Cl)S1 4492248 PJGNGQGGQWVSTJ-BJMVGYQFSA-N 315.181 3.100 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 102570702 AJCWYSIQACYBRY-RVDMUPIBSA-N 307.309 3.401 10 40 DGCB COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccccc2O)cc1 12978435 KDNKTGJFRMJVQS-ZDUSSCGKSA-N 314.385 3.303 10 40 DGCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885993 NSWZPCWBRBQBIL-SFHVURJKSA-N 307.397 3.482 10 40 DGCB CN(C)c1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1 57326787 OPJDWJOCBUOWHI-UHFFFAOYSA-N 305.341 3.142 10 40 DGCB CCN1C(=O)/C(=C\c2ccccc2Cl)C(C(=O)OC)=C1C 58883846 WECXPSOWWUYRST-XFXZXTDPSA-N 305.761 3.033 10 40 DGCB COc1ccc(N2CCC(NC(=O)NCC(C)(C)C)CC2)cc1 69596083 WRHXAEAYGPDYRL-UHFFFAOYSA-N 319.449 3.009 10 40 DGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 83318696 YGURELKHMNJSKC-PTNGSMBKSA-N 313.397 3.287 10 40 DGCB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(N)cc2)C1 228912376 DYSRYZDMGJMFKQ-CYBMUJFWSA-N 305.422 3.010 10 40 DGCB Oc1ccc2ccccc2c1CN1CCN(c2ccccn2)CC1 24203697 YEHPLYBZDLJQAS-UHFFFAOYSA-N 319.408 3.263 10 40 DGCB CO[C@H](C(=O)NCCCSc1nccs1)c1ccccc1 79310587 OZBJUHOBHJKNKY-ZDUSSCGKSA-N 322.455 3.129 10 40 DGCB CCO/C=C1/SC(=S)N(c2ccc(OCC)cc2)C1=O 5807837 KIKPSPFZIGHDIM-FMIVXFBMSA-N 309.412 3.328 10 40 DGCB CCOC(=O)[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 4140556 HNUOXQDRHLEXMA-MISXGVKJSA-N 322.202 3.466 10 40 DGCB Cc1ccc(/N=N/c2c(N)nn3c(=O)c4c([nH]c23)CCCC4)cc1 103674933 JMIHGUQDQQSDID-QZQOTICOSA-N 322.372 3.207 10 40 DGCB Cc1[nH]c2c(C(=O)NCc3ccc(O)c(O)c3)cccc2c1C 83996732 ZVJVXVXCRWVJKB-UHFFFAOYSA-N 310.353 3.126 10 40 DGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 4356764 NZNCPQMVKMWZBQ-LCFDYFRESA-N 321.423 3.059 10 40 DGCB [O-][N+]1=C2CCCCC2=NN[C@@H]1c1cc(Cl)cc(Cl)c1O 17110367 HSHNMKXTNQPZDQ-ZDUSSCGKSA-N 314.172 3.182 10 40 DGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccccc1Cl 59959392 KMLJNNYHAOPBIJ-LCYFTJDESA-N 319.788 3.421 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(C(=O)O)c1 100742895 OURIATDFAPRTKN-LFIBNONCSA-N 306.321 3.191 10 40 DGCB Cc1occc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 71808913 MGETYZSJWAHCQW-OAHLLOKOSA-N 315.369 3.115 10 40 DGCB COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)c(C)cc1N 17303046 RFHAPRIQUZZKDJ-MSUUIHNZSA-N 321.358 3.248 10 40 DGCB Nc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 19268325 ZNZAFGGSACHBPD-UHFFFAOYSA-N 321.174 3.049 10 40 DGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccccc1 5372473 CXLFNMIXRJRHKM-UVTDQMKNSA-N 324.361 3.467 10 40 DGCB CC(=O)Oc1cccc(/N=[N+](/[O-])c2cccc(OC(C)=O)c2)c1 100367876 DUABHDTWTOZDJM-ISLYRVAYSA-N 314.297 3.463 10 40 DGCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccnc3)cc2)C1 225431590 ZBTYPTULJUQOOM-OAHLLOKOSA-N 309.413 3.248 10 40 DGCB Oc1cc2c(cc1O)[C@@H](c1ccc(C(F)(F)F)cc1)NCC2 19691376 VYYSRTCJNMCYJU-OAHLLOKOSA-N 309.287 3.352 10 40 DGCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(O)cc1 8645188 OAQJYNDTHPOIEH-JYRVWZFOSA-N 314.391 3.193 10 40 DGCB CCS[C@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 74889041 QJWMCTUSSVRBEW-KBPBESRZSA-N 308.447 3.208 10 40 DGCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(C)c3C)C2=O)cc1 409229094 JROWTOLBZQGKFV-LICLKQGHSA-N 323.396 3.043 10 40 DGCB COc1ccc(N2CCCN(C(=O)c3cccs3)CC2)cc1 55877597 PSAPUMGRVDTYNZ-UHFFFAOYSA-N 316.426 3.109 10 40 DGCB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(OC)c1O 7636356 MKFIEYBOWDVTHC-CYBMUJFWSA-N 314.341 3.082 10 40 DGCB [O-][N+]1=C2CCCCC2=NN[C@H]1c1cc(Cl)cc(Cl)c1O 5640804 HSHNMKXTNQPZDQ-CYBMUJFWSA-N 314.172 3.182 10 40 DGCB CN(C)c1ccc(/C=C2/CC(=O)N(c3ccccc3)C2=O)cc1 16926171 OHEBAYULQDPLGG-QINSGFPZSA-N 306.365 3.100 10 40 DGCB CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 4660996 QNWPUBZZBTWIPC-RMKNXTFCSA-N 314.229 3.280 10 40 DGCB COC(=O)c1ccccc1/N=N\Nc1cccc([N+](=O)[O-])c1 16927336 XCYRHEWXHBZPQV-UHFFFAOYSA-N 300.274 3.492 10 40 DGCB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccccc1O 63974 DHDPQLHDIHKBLD-SDNWHVSQSA-N 302.399 3.239 10 40 DGCB COc1cc2c[n+]3ccc4ccccc4c3c(N)c2cc1OC 1566773 NMJSJVLDFATUQB-UHFFFAOYSA-N 305.357 3.331 10 40 DGCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\C=C/c1ccccc1 16450981 VJGITCDMOMKAQD-XCRWTIQCSA-N 324.380 3.037 10 40 DGCB CN(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 12436631 LWVUAWHWEMYMOW-QINSGFPZSA-N 315.442 3.209 10 40 DGCB COc1cc(/N=N/c2ccccc2C(=O)O)cc(C=O)c1O 70462728 GEDFONNVQGGQRB-WUKNDPDISA-N 300.270 3.327 10 40 DGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc(C(=O)O)c1 12412943 RMRJNBMFMDQSGD-MJWGMMHASA-N 322.324 3.260 10 40 DGCB CCOc1ccccc1/C=C1\SC(N2CCCC2)=NC1=O 13512372 FLLWWRPBAOPGAL-KAMYIIQDSA-N 302.399 3.151 10 40 DGCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(O)cc1 5485158 FPRYDQLTSCDWJM-LCYFTJDESA-N 314.391 3.193 10 40 DGCB CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 1157485 OGONIROXPIPVDK-WWGRRREGSA-N 315.369 3.038 10 40 DGCB COc1cc(-c2ccc(O)c(O)c2)cc(=O)c2c(C)oc(C)c12 111986 UAQFDYHJIVFMOZ-UHFFFAOYSA-N 312.321 3.497 10 40 DGCB biogenic COc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 6008738 YEVNTMKVRLJDDY-GXDHUFHOSA-N 302.399 3.198 10 40 DGCB CCCN(Cc1ccccc1O)C(=O)Cc1csc(CC)n1 66096171 CXMOXBHODZDENI-UHFFFAOYSA-N 318.442 3.392 10 40 DGCB O=C1c2ccccc2C(=O)c2sc(Nc3cccnc3)nc21 72194233 QUTYDAWXPFXSBJ-UHFFFAOYSA-N 307.334 3.057 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccco1 100422784 DHANNINTTFUNTD-WJDWOHSUSA-N 313.332 3.205 10 40 DGCB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1nc2ccccc2s1 100934229 YIGIVXLVSLIVHM-CYBMUJFWSA-N 324.317 3.367 10 40 DGCB COC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)cc1 25437574 LYWZPRBPVGTQEH-UHFFFAOYSA-N 311.381 3.435 10 40 DGCB CCOc1cccc(CNCc2cc(OC)ccc2OC)c1O 57476964 GQCBTIGEKHKOMD-UHFFFAOYSA-N 317.385 3.098 10 40 DGCB CSc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1 8985979 STSWIRYAMLZGPP-UHFFFAOYSA-N 317.410 3.475 10 40 DGCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccs1 96011707 BIKDXJOYKLLKRB-QWRGUYRKSA-N 305.399 3.010 10 40 DGCB CCOC(=O)[C@H](C)C1(c2ccccc2)C(=O)c2ccccc2C1=O 5460015 HGCVSKXRMCLIMT-ZDUSSCGKSA-N 322.360 3.203 10 40 DGCB Cc1ccc(NC(=O)c2nc[nH]c2/N=N/N2CCCCC2)cc1 8656788 CVUAMTDJXWTFCK-QZQOTICOSA-N 312.377 3.455 10 40 DGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(C)o1 32099563 BAPAHIYZIQENRA-DHDCSXOGSA-N 310.309 3.092 10 40 DGCB CN(C)c1ccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)cc1 1714384 OHEBAYULQDPLGG-NTCAYCPXSA-N 306.365 3.100 10 40 DGCB COc1ccc2cc(/C=C3\SC(=S)NC3=O)ccc2c1 5068103 KZTUXSWVROHDIU-QPEQYQDCSA-N 301.392 3.337 10 40 DGCB COc1ccc(N(C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 13561579 IVWAJVNIBJKZGU-UHFFFAOYSA-N 308.381 3.482 10 40 DGCB [N-]=[N+]=NCC(=O)N[C@H](CC(=O)c1ccccc1)c1ccccc1 100704936 HOUCHLUMANFKIH-OAHLLOKOSA-N 308.341 3.427 10 40 DGCB Cc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 20488738 NBZUFPAFZFCIJR-UHFFFAOYSA-N 308.425 3.454 10 40 DGCB Cc1noc(C(C)C)c1C(=O)NCc1ccc(N(C)C)cc1 8171931 BUKGNALMMCFNKD-UHFFFAOYSA-N 301.390 3.102 10 40 DGCB CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC1=S 202810 BMQDCHIKVQJGAE-QINSGFPZSA-N 317.458 3.000 10 40 DGCB CN1CCCS/C1=C1/SC(=S)N(c2ccccc2)C1=O 17777686 LKGVMWQXJNJISS-ACCUITESSA-N 322.480 3.289 10 40 DGCB CCc1noc(CN2CCCc3cc(OC(F)F)ccc32)n1 65597519 BCEDTOGHCZZOPG-UHFFFAOYSA-N 309.316 3.186 10 40 DGCB Cc1ccnc([C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)n1 257236466 HCIRABDAXXCMBW-GOSISDBHSA-N 322.456 3.375 10 40 DGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ncn[nH]2)c1 26259512 XHUIDNIATFKFMZ-UHFFFAOYSA-N 315.764 3.118 10 40 DGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1 408975635 BQHKHGTUOHBBGX-WJDWOHSUSA-N 323.348 3.152 10 40 DGCB O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccccc1 41371756 MWLFNYVSGQEWJJ-UHFFFAOYSA-N 302.399 3.088 10 40 DGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 4745704 LWOCLZPLNOKPDH-LCFDYFRESA-N 321.423 3.059 10 40 DGCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1O 13517235 GCWMEIGAYZAGAU-PTNGSMBKSA-N 308.337 3.207 10 40 DGCB COc1ccccc1/C=C1\SC(N2CCC[C@H](C)C2)=NC1=O 100726 RWWQYNMURUGQMZ-GQVHDAKQSA-N 316.426 3.397 10 40 DGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccn1 100922777 FYWLRHKDJZURCP-UVTDQMKNSA-N 312.760 3.454 10 40 DGCB Cc1ccc(N2NC(=O)/C(=C/c3ccccc3)C2=O)cc1Cl 5547194 VANLVOIILQHUNN-ZROIWOOFSA-N 312.756 3.110 10 40 DGCB O=C1NC(=S)S/C1=C\Nc1cc(Cl)cc(Cl)c1 12173336 ISDHGDVYMFQGRG-YWEYNIOJSA-N 305.211 3.395 10 40 DGCB CN(C)c1ccc(CNC(=O)c2cn[nH]c2-c2ccccc2)cc1 29049227 KXRWIKDFJNKOIG-UHFFFAOYSA-N 320.396 3.073 10 40 DGCB Cc1cn[nH]c1[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 257296813 REMMALIPAOTDNK-KRWDZBQOSA-N 310.445 3.308 10 40 DGCB CCN(CC)Cc1cc(NC(C)=O)cc(CN(CC)CC)c1O 77273458 DWXOUJKPLMZXRR-UHFFFAOYSA-N 321.465 3.034 10 40 DGCB in-vitro O=S1(=O)CC[C@H](Nc2ccc(Nc3ccccc3)cc2)C1 40177452 RXOXYPXBRBSQPT-INIZCTEOSA-N 302.399 3.029 10 40 DGCB Nc1c(C(=O)O)sc2nc3c(c(C(F)(F)F)c12)CCCC3 4228008 KRBXRFQTAAZKNU-UHFFFAOYSA-N 316.304 3.474 10 40 DGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)cc1 4292037 WOOOBPMASJQFCH-KRWDZBQOSA-N 310.353 3.098 10 40 DGCB COc1ccc([C@@H]2NN=C(c3ccc(C)cc3)S2)c(O)c1 409077105 CXBHFKROKKBWLA-MRXNPFEDSA-N 300.383 3.406 10 40 DGCB Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1Cl 72268475 VYMNWDFURSXDEO-UHFFFAOYSA-N 320.776 3.424 10 40 DGCB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccccc2O)C1 12183900 XLNYPDJRZBBYCK-HNNXBMFYSA-N 324.380 3.137 10 40 DGCB Cc1ccc(NC2=NC(=O)/C(=C/c3csnn3)S2)c(C)c1 48332593 PHHMHHNCMKXUJY-SDQBBNPISA-N 316.411 3.237 10 40 DGCB Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1C 12466573 VEJGJDWCYRCBLD-GDNBJRDFSA-N 317.458 3.032 10 40 DGCB CCN(CC)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 1193133 GDJXAZGHZPGEEF-JLHYYAGUSA-N 306.456 3.364 10 40 DGCB Cc1cccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 32707998 HPVZWVXLAUKQBS-FMIVXFBMSA-N 321.423 3.061 10 40 DGCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1cccc(C(F)(F)F)c1 100408760 XZROVUWDELEQKG-VMPITWQZSA-N 323.196 3.049 10 40 DGCB CCCN1C(=O)/C(=C\c2ccc(NC(C)=O)cc2)SC1=S 409344718 GPWIEQPQXOYAGT-UKTHLTGXSA-N 320.439 3.256 10 40 DGCB CC1=NN(c2ccccc2[N+](=O)[O-])C(=O)/C1=C\c1cccs1 18193795 NBCXHMGLHPGHAO-XFXZXTDPSA-N 313.338 3.462 10 40 DGCB CN(C)c1ccc(CNC(=O)c2cccc3cccnc23)cc1 12543117 ROSBQSIZBKGHMS-UHFFFAOYSA-N 305.381 3.231 10 40 DGCB CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccc(O)cc12 319171 QKFKFTQCAIMSOA-IBGZPJMESA-N 307.349 3.477 10 40 DGCB Cc1ccc2c(c1)/C(=C1/SC(c3ccccc3)=NC1=O)C(=O)N2 3182981 MEPXTAKEWSAWDG-PFONDFGASA-N 320.373 3.378 10 40 DGCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1cccnc1 5589218 QMICZQHBCZSATN-MDWZMJQESA-N 314.391 3.193 10 40 DGCB COc1cccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)c1 13532524 CJVVSXZDVBLKFA-RVDMUPIBSA-N 316.426 3.397 10 40 DGCB CN(C)c1ccc(/C=C2\OC(=O)c3cc([N+](=O)[O-])ccc32)cc1 17118081 VJFQTJXSPJJPKG-SXGWCWSVSA-N 310.309 3.329 10 40 DGCB Cc1cccn2c(CN3CCOc4cc(N(C)C)ccc43)cnc12 97143319 XQHKNXIZRSCNEZ-UHFFFAOYSA-N 322.412 3.108 10 40 DGCB Oc1ccc(Br)cc1CNc1cccc2n[nH]nc12 1431751 OYILIKZJLTUESG-UHFFFAOYSA-N 319.162 3.038 10 40 DGCB Cc1c(C2=CC=CCC2=S)c(=O)oc2cc(O)cc(O)c12 71404982 KEDLATXXMULADA-UHFFFAOYSA-N 300.335 3.226 10 40 DGCB CN(Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 5067700 ZYZIXXHQFKRKNV-UHFFFAOYSA-N 305.761 3.406 10 40 DGCB Cc1cc(C(=O)N2CCc3[nH]ncc3C2)c(C)n1-c1ccccc1 124494882 PCCCWICKUYMMAA-UHFFFAOYSA-N 320.396 3.016 10 40 DGCB COc1cccc(-n2c(C)cc(C(=O)Nc3cnn(C)c3)c2C)c1 25310923 QBMSHOLLZSDAJM-UHFFFAOYSA-N 324.384 3.089 10 40 DGCB O=C1/C(=C/c2cccc(O)c2)C(O)=NC(=S)N1c1ccccc1 440987 JREHYCXDGVXZBZ-GXDHUFHOSA-N 324.361 3.064 10 40 DGCB CC(C)(C)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 5371679 ZXDPOWIXCVBSBB-FLIBITNWSA-N 321.423 3.385 10 40 DGCB COC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 44205 MCRSJQPPZBIZIH-UHFFFAOYSA-N 310.305 3.012 10 40 DGCB biogenic COc1ccc(C2=NN[C@@H](c3cc(Cl)ccc3O)C2)cc1 540263 BEYRXDAXFPIQOD-OAHLLOKOSA-N 302.761 3.493 10 40 DGCB Cc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 13576541 NZEMHYSUWGJERS-BOPFTXTBSA-N 306.365 3.073 10 40 DGCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3C)C2=O)cc1 9045253 GPIKYSGLIOACCP-PTNGSMBKSA-N 323.352 3.094 10 40 DGCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C 408959866 HECPPQSBROQYFW-MHWRWJLKSA-N 323.396 3.145 10 40 DGCB CC(=O)Oc1cccc(N=[N+]([O-])c2cccc(OC(C)=O)c2)c1 245239041 DUABHDTWTOZDJM-UHFFFAOYSA-N 314.297 3.463 10 40 DGCB Cc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(C)o1 95464222 QSMOAKUVLSVLIS-UHFFFAOYSA-N 301.751 3.056 10 40 DGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2cn[nH]c12 28333690 UFQWORLBWQSQOH-UHFFFAOYSA-N 320.396 3.093 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc([N+](=O)[O-])c1 13590193 XZDOLAIORLPMLY-WJDWOHSUSA-N 322.324 3.313 10 40 DGCB COc1cc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)ccc1O 95946438 MAIFITGGNQYXTH-CYBMUJFWSA-N 316.382 3.160 10 40 DGCB CC(C)n1cnc2ccc(CNC(=O)c3cc(O)cs3)cc21 1521861619 AXEDOMGFBLJSET-UHFFFAOYSA-N 315.398 3.314 10 40 DGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2C)SC1=S 8325782 LWOCLZPLNOKPDH-SERMCNLOSA-N 321.423 3.059 10 40 DGCB CC(C)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 95101255 YJYMUYFEMIEASW-XFFZJAGNSA-N 303.412 3.173 10 40 DGCB Cc1cc(C)cc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c1 100868412 REFFJPZEAJQLLE-RTBURBONSA-N 313.397 3.206 10 40 DGCB Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CCCC1)OCO2 1587299 OFNMYFVUPBJXHE-GOSISDBHSA-N 315.344 3.445 10 40 DGCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)NC1=O 4107644 LAKGRLFDJXCSHD-UKTHLTGXSA-N 304.440 3.084 10 40 DGCB CC1=NN(c2ccccc2C)C(=O)/C1=C\c1ccc(C(=O)O)cc1 18193612 NAMJGCLDZVXKDB-WJDWOHSUSA-N 320.348 3.499 10 40 DGCB CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 87493235 XYSMNZWLVJYABK-SFHVURJKSA-N 319.364 3.020 10 40 DGCB CNc1ccc(N2CCCCC2)c2c1C(=O)c1ccccc1C2=O 4815744 JLEPKYGECPGLJU-UHFFFAOYSA-N 320.392 3.494 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)c(Cl)c1 61075265 UUDKHNOTZAXDPI-UHFFFAOYSA-N 318.804 3.384 10 40 DGCB CN(C)c1ccc(CNC(=O)COc2ccccc2Cl)cc1 7889451 WHFRFMVSCUGYNE-UHFFFAOYSA-N 318.804 3.101 10 40 DGCB CCN(Cc1cc(Br)ccc1O)c1nccc(C)n1 89602646 YNAAUPFLKSMAOV-UHFFFAOYSA-N 322.206 3.280 10 40 DGCB C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)CCC(=O)N2 54175699 WRKMDQINVKLOIE-ZDUSSCGKSA-N 322.408 3.357 10 40 DGCB COc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 20490487 CSHQWAHMWKJMHN-UHFFFAOYSA-N 324.424 3.154 10 40 DGCB COCCN1C(=O)/C(=C/c2cc(C)ccc2C)SC1=S 98002077 JKHCTSVEWMYAQC-LCYFTJDESA-N 307.440 3.151 10 40 DGCB O=C(NCCCSc1nccs1)N1C[C@H]2CC=CC[C@@H]2C1 89885336 ALDYXTZDPOZMDR-CHWSQXEVSA-N 323.487 3.233 10 40 DGCB Cc1ccc(S(=O)(=O)N=[N+]([O-])c2ccc(N(C)C)cc2)cc1 104383242 VWHZUXBWUAKIEX-UHFFFAOYSA-N 319.386 3.044 10 40 DGCB CN(C)c1ccc(/C=C/c2n[nH]c(-c3ccccc3O)n2)cc1 4406348 BDUNEPAPYGLHOG-FMIVXFBMSA-N 306.369 3.414 10 40 DGCB Cc1ccccc1NC(=S)NNc1ccc([N+](=O)[O-])cc1 4058979 DKUWOJXNLLXZIW-UHFFFAOYSA-N 302.359 3.217 10 40 DGCB O=C1/C(=C/c2ccccn2)SC(=S)N1Nc1ccccc1 5093506 PBHMVPXKXHGWCJ-RAXLEYEMSA-N 313.407 3.310 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncccc2O)cc1 24864149 WBUPHPHKZHKNKK-UHFFFAOYSA-N 307.353 3.447 10 40 DGCB COC[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 71913554 CXHOFDQCXXIHDM-CQSZACIVSA-N 320.433 3.271 10 40 DGCB CCOc1nc(N)nc(C)c1/N=N/c1cccc([N+](=O)[O-])c1 18129595 PGKBHEIYNCXTTR-ISLYRVAYSA-N 302.294 3.090 10 40 DGCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(O)c1 1303008 DLAPNUGRRDCVDG-QPEQYQDCSA-N 314.391 3.193 10 40 DGCB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccnc3)NC(=O)CN21 4030065 NTNSIQPVVGVBPT-NDDJGDGRSA-N 319.408 3.027 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 65566318 SZXIOOGTMXHZEG-UHFFFAOYSA-N 323.440 3.014 10 40 DGCB Cc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 508195 NWXXQLZGOPJPFQ-VPHXBNOSSA-N 316.426 3.075 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccccc1O 6556836 OSMFIEKAMCURGW-PTNGSMBKSA-N 307.353 3.419 10 40 DGCB CCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5201077 QJWUMQNCKKFBRE-FNORWQNLSA-N 318.217 3.263 10 40 DGCB COc1cc2c(cc1NCC1(CO)COC1)oc1ccccc12 79094717 MBBXDTIWQWNNHC-UHFFFAOYSA-N 313.353 3.015 10 40 DGCB Nc1c(Cl)c(Cl)c(O)c2c1C(=O)c1ccccc1C2=O 5555422 VUIGYAUPYUWXLR-UHFFFAOYSA-N 308.120 3.057 10 40 DGCB Cc1cc(C=O)c(C)n1-c1cc([N+](=O)[O-])ccc1N1CCCC1 8702400 VUIZQXGNJOLKIF-UHFFFAOYSA-N 313.357 3.415 10 40 DGCB Cc1cc(C)c2c(c1)C(=O)[C@@H](c1cc(=O)c3ccccc3[nH]1)C2=O 4411962 PBAAXFAPWOTKPL-GOSISDBHSA-N 317.344 3.308 10 40 DGCB Cc1cc(C2CCN(Cc3c(O)cccc3Cl)CC2)n[nH]1 97139572 NZIADQXLQARBSB-UHFFFAOYSA-N 305.809 3.457 10 40 DGCB C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc2c(c1)CCO2 95448905 MRAGPKXNZNDYIU-SWLSCSKDSA-N 303.427 3.285 10 40 DGCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CCC2)cc1 71799914 LBARDNKEVGLHQC-UHFFFAOYSA-N 314.351 3.444 10 40 DGCB CN(C)c1ccc2c(c1)CN(C(=O)c1ccco1)[C@H]2c1cnco1 96086988 RBCJGGSMVHRDDH-QGZVFWFLSA-N 323.352 3.079 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(O)cc1 6054286 YEZRVRVAXQXWSY-BOPFTXTBSA-N 307.353 3.419 10 40 DGCB CN(Cc1cc2c(cc1O)OCO2)Cc1ccc(F)cc1F 24617116 RKZCTQFSIJPGSO-UHFFFAOYSA-N 307.296 3.031 10 40 DGCB CN(Cc1ccccc1O)C(=O)Nc1cnc(C(C)(C)C)nc1 69631474 YEDJEAYVWFRGID-UHFFFAOYSA-N 314.389 3.144 10 40 DGCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F 65519312 RIKWESNSSHNROX-UHFFFAOYSA-N 317.355 3.235 10 40 DGCB Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=O 4654717 PQVIKROZFPIERS-UHFFFAOYSA-N 320.300 3.040 10 40 DGCB biogenic,in-vitro C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)OCCO2 43288565 OTHFYGVOGPJGEA-ZDUSSCGKSA-N 311.381 3.244 10 40 DGCB CCN1C(=O)/C(=C/C=C\N(C)c2ccccc2)SC1=S 17109155 TUDYVCILAXJZPH-AZCBLXCJSA-N 304.440 3.401 10 40 DGCB COc1ccc(C2=C/C(=C\c3ccc(O)cc3O)C(=O)O2)cc1 4726482 ZOHPXEDJWXZOLY-MDWZMJQESA-N 310.305 3.088 10 40 DGCB COC[C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 71913553 CXHOFDQCXXIHDM-AWEZNQCLSA-N 320.433 3.271 10 40 DGCB COc1ccc(N(Cc2ccccc2)Cc2nnc(C)n2C)cc1 58419375 HLNJMHMASYSOBH-UHFFFAOYSA-N 322.412 3.339 10 40 DGCB CC[C@H](C)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1O 95432875 KQKORWIMIAZBHO-ZDUSSCGKSA-N 323.414 3.116 10 40 DGCB CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 7243694 WOHBKXJMCPVSCK-UHFFFAOYSA-N 306.768 3.475 10 40 DGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1sccc1C 59566423 WVAKWEHTLBAREK-WQLSENKSSA-N 305.399 3.138 10 40 DGCB Fc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccc1N1CCOCC1 92485615 DLDFXIVSLVDDEZ-WMZOPIPTSA-N 318.436 3.427 10 40 DGCB CC(C)(C)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 5552043 ODVGZRITBLHCKE-KHPPLWFESA-N 318.423 3.009 10 40 DGCB O=C1N=C(Nc2ccccc2O)S/C1=C\c1ccc(O)cc1 1774229 UBSRZJCJTKODBX-ZROIWOOFSA-N 312.350 3.180 10 40 DGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccccc1 35042423 CXLFNMIXRJRHKM-GXDHUFHOSA-N 324.361 3.467 10 40 DGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccncc1 223951476 AOXHHDIGKGQQCK-UHFFFAOYSA-N 312.442 3.168 10 40 DGCB CCOc1cccc(CNc2ccc(NC(C)=O)cc2)c1O 20542426 BNSDDBXNNGYNIQ-UHFFFAOYSA-N 300.358 3.361 10 40 DGCB COc1ccccc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408956353 RHAIYHJFCIUWMT-FOWTUZBSSA-N 320.348 3.137 10 40 DGCB COc1cccc(NC(=S)NCCN(C)c2ccccc2)c1 16704928 MQWJARHHLJSNMM-UHFFFAOYSA-N 315.442 3.118 10 40 DGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccco1 5372697 BAPHKPFWTNPHDR-XYOKQWHBSA-N 314.322 3.060 10 40 DGCB CCOc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1 422084 PNJMJHWPPGFAJI-UHFFFAOYSA-N 302.355 3.217 10 40 DGCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(F)cc3)C(=O)N=C2S1 350507 FDFLECZWRPWEOS-XZPRFMIFSA-N 316.361 3.101 10 40 DGCB Cc1c(N[C@@H](C)c2cc(F)ccc2O)cnn1[C@H]1CCOC1 585086971 BMUDOBDDYOWXKP-GWCFXTLKSA-N 305.353 3.171 10 40 DGCB COC(=O)c1c(C)oc2ccc(O)c(CN3CCC[C@@H](C)C3)c12 5182568 VFMWMPLQLSVWSN-LLVKDONJSA-N 317.385 3.465 10 40 DGCB COc1ccccc1/C=C1\SC(N2CCC[C@@H](C)C2)=NC1=O 100732 RWWQYNMURUGQMZ-DYTQJMLRSA-N 316.426 3.397 10 40 DGCB Fc1ccc(NC(=S)NNc2nc3ccccc3[nH]2)cc1 503510 OLWIXPSZGOVRPG-UHFFFAOYSA-N 301.350 3.016 10 40 DGCB CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 59417946 HGZUORLDHMXCSH-DHZHZOJOSA-N 308.384 3.206 10 40 DGCB CCN(CC)c1ccc(CNC(=O)c2ccc(OC)cc2)cc1 78502112 JGFSIHUPMPRYKY-UHFFFAOYSA-N 312.413 3.471 10 40 DGCB COc1cc(/N=N/c2ccc(C(=O)O)cc2)cc(C=O)c1O 70462735 QZNOZANQIVUESR-WUKNDPDISA-N 300.270 3.327 10 40 DGCB CN(CCNC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225571287 VBARKPWDSSJEAA-UHFFFAOYSA-N 321.396 3.388 10 40 DGCB Cc1nc(-c2ccc(N3CCSCC3)cc2)sc1C(=O)O 32917333 CMKSJIOEQYFQRM-UHFFFAOYSA-N 320.439 3.370 10 40 DGCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ncccc23)cc1 2697976 ZWJCGLNKKPTWJA-UHFFFAOYSA-N 314.366 3.050 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cccc(O)c1 5333830 UGUOUFTYFYPOOR-BOPFTXTBSA-N 307.353 3.419 10 40 DGCB Cc1ccc(S(=O)(=O)/N=N/[C@H]2[C@@H]3[C@H]4C[C@@H]2C(C)(C)[C@H]43)cc1 104111539 UYCKWHNXMAPIRN-JEFQNZMRSA-N 304.415 3.426 10 40 DGCB C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)CCC(=O)N2 54175700 WRKMDQINVKLOIE-CYBMUJFWSA-N 322.408 3.357 10 40 DGCB Cc1ccc(C2=C/C(=C3\OC(=O)c4ccccc43)C(=O)O2)cc1 5413778 CQBMKOXFFHRWQN-BMRADRMJSA-N 304.301 3.474 10 40 DGCB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC(=O)C2=O 118913740 QSRRZOKHPOSKBO-FZOQZOMPSA-N 302.414 3.346 10 40 DGCB in-vitro CCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48354832 KGNJKWASZFZODW-ZIAGYGMSSA-N 322.424 3.246 10 40 DGCB Cc1ccc2c(c1NC(=O)C(C)C)C(=O)c1ccccc1C2=O 3847598 GPUXFMDYVQPKEV-UHFFFAOYSA-N 307.349 3.365 10 40 DGCB biogenic COc1ccccc1N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 27231295 WXZGKJWYRJRGSJ-UKTHLTGXSA-N 316.407 3.429 10 40 DGCB C[C@H](NCc1ccccc1O)c1ccc(N2CCOCC2)cc1 71792561 XONCOAQAFKQDIC-HNNXBMFYSA-N 312.413 3.080 10 40 DGCB COc1ccccc1/C=C1/SC(N2CCC(C)CC2)=NC1=O 12464674 RZTGIMMUYNYDOO-RVDMUPIBSA-N 316.426 3.397 10 40 DGCB CCN(CC)C(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 4054614 AUYASTSHOKDASZ-UHFFFAOYSA-N 316.376 3.284 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(O)c1 17130550 USHOTBAQBQLFQU-YBEGLDIGSA-N 311.316 3.250 10 40 DGCB CCc1ccn2c3c(c(C(C)=O)c2c1)C(=O)c1ccccc1C3=O 5545063 ISMSIMLCWRNVSL-UHFFFAOYSA-N 317.344 3.480 10 40 DGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1nccs1 8198637 IZUIBCRTMKHFEE-POHAHGRESA-N 321.452 3.039 10 40 DGCB COc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 98311 HJYHGFWHEWRAKF-UHFFFAOYSA-N 323.348 3.467 10 40 DGCB biogenic COc1cc(CN[C@H]2CCN(C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 585093617 NRGIZYSLKGNLLS-HIFRSBDPSA-N 320.477 3.271 10 40 DGCB Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3=O 4654726 NFUYRESOTVGLRL-UHFFFAOYSA-N 304.301 3.335 10 40 DGCB biogenic,in-vitro O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC1 69455545 UEGZREONYUZZKS-UHFFFAOYSA-N 324.371 3.173 10 40 DGCB CC(C)=C1SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O 264066 OKYXCBRIPOPNLP-UHFFFAOYSA-N 315.442 3.040 10 40 DGCB C[C@H](NC(=O)NCCCSc1nccs1)c1ccncc1 89910307 VSYUQUGTDQGPSA-NSHDSACASA-N 322.459 3.081 10 40 DGCB CCN1C(=O)/C(=C\C=C/N(C)c2ccccc2)SC1=S 31760693 TUDYVCILAXJZPH-IHUNODJRSA-N 304.440 3.401 10 40 DGCB Oc1ccc(O)c(CNc2ccc([C@@H](O)C(F)(F)F)cc2)c1 5933431 YPAWXJGXRNYNDI-CQSZACIVSA-N 313.275 3.306 10 40 DGCB COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1OC 16939515 DLWNDQKBVAZBHH-JYRVWZFOSA-N 321.423 3.067 10 40 DGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=S)NC1=O 6626225 CCTGGHABZCUNOW-MDWZMJQESA-N 322.430 3.223 10 40 DGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)[C@@H](C)CO)c2C)c1 95979635 NHYCWPBDMZRKJW-HNNXBMFYSA-N 314.429 3.164 10 40 DGCB CC1CCN(C2=NC(=O)/C(=C\c3ccccc3O)S2)CC1 4474720 RJWRPVHASZHOOT-GXDHUFHOSA-N 302.399 3.094 10 40 DGCB O=c1oc2c(CNC3CC3)c(O)c(Cl)cc2c2c1CCCC2 20646779 OWSOTQQCYWWPJA-UHFFFAOYSA-N 319.788 3.283 10 40 DGCB COc1ccc(CN[C@@H](Cn2cncn2)c2ccccc2)cc1C 71796160 GNCDSYNQMSTFQE-SFHVURJKSA-N 322.412 3.126 10 40 DGCB Cc1ccc(C)n1-c1ccc(CC(=O)Nc2ccn(C)n2)cc1 58441802 SQNSQJZKTMZVGP-UHFFFAOYSA-N 308.385 3.009 10 40 DGCB CCN(CC)Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 1704289 PHFCUYPTGFEHGU-UHFFFAOYSA-N 301.386 3.219 10 40 DGCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)cc1 9011923 OUTKRLNMNVLFMY-UHFFFAOYSA-N 312.350 3.010 10 40 DGCB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 4525646 PEZPYQZHRLQPHO-RFAUZJTJSA-N 314.410 3.433 10 40 DGCB Nc1ccc(OCCCCCC(=O)Oc2ccc(N)cc2)cc1 220405560 IHPFFDHQNHUKRU-UHFFFAOYSA-N 314.385 3.396 10 40 DGCB O=C1Nc2ccccc2/C1=C\c1ccc(N2CCOCC2)cc1 4871642 FWFISWZSIAJQSO-GHRIWEEISA-N 306.365 3.016 10 40 DGCB CCC(=O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 6755676 PLWZHJZRVIRBHC-QJUYYABZSA-N 303.408 3.381 10 40 DGCB CCOc1ccccc1/C=C1/SC(N2CCCC2)=NC1=O 527096 FLLWWRPBAOPGAL-SDNWHVSQSA-N 302.399 3.151 10 40 DGCB CN1N=C(C(F)(F)F)/C(=C/Nc2ccc(Cl)cc2)C1=O 100271388 APFZBXFGUIOMER-TWGQIWQCSA-N 303.671 3.026 10 40 DGCB COc1cc(/N=N\c2ccccc2)ccc1NCS(=O)(=O)O 104050766 DSGHGYUDWBBPRC-MSUUIHNZSA-N 321.358 3.368 10 40 DGCB O=C1c2ccccc2C(=O)c2c(O)c(Cl)c(Cl)c(O)c21 4040100 LZUADSKQLOWGDZ-UHFFFAOYSA-N 309.104 3.180 10 40 DGCB Cc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(C)cc23)cc1 81218 JNGJBWPHVXFTBG-QGZVFWFLSA-N 309.394 3.107 10 40 DGCB COc1ccc(N2CCCN(C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 89920178 VYPUNSJQZUCQTB-HOTGVXAUSA-N 318.461 3.163 10 40 DGCB O=C1c2ccccc2C(=O)c2c1nc(-c1ccc(Cl)cc1)n2O 96336141 WAKKKRMBMLXUAA-UHFFFAOYSA-N 324.723 3.216 10 40 DGCB c1ccc2c(c1)OCC[C@H]2NCc1ccc(N2CCOCC2)cc1 71831317 QRIKCXXDPPQHAI-LJQANCHMSA-N 324.424 3.137 10 40 DGCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccccc1F 96194002 JFBWSABXGYBPBC-UHFFFAOYSA-N 318.417 3.241 10 40 DGCB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 4525645 PEZPYQZHRLQPHO-VFZGTOFNSA-N 314.410 3.433 10 40 DGCB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccs1 96011708 BIKDXJOYKLLKRB-MNOVXSKESA-N 305.399 3.010 10 40 DGCB CN(C)c1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 8170739 RDTRGCQYIMTUJO-UHFFFAOYSA-N 307.397 3.093 10 40 DGCB CC(=O)[C@@H]1CCc2cc3c(cc2C1)C(=O)c1ccccc1C3=O 5228808 UEWQRZHIWMPQGQ-GFCCVEGCSA-N 304.345 3.156 10 40 DGCB CCCCS(=O)(=O)Nc1cc(Br)c(O)cc1C 11615820 KUCUTEFMBIWLKD-UHFFFAOYSA-N 322.224 3.005 10 40 DGCB O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1c1nc2ccccc2s1 100934938 VBXGZJXWTFFYCX-ZDUSSCGKSA-N 324.317 3.367 10 40 DGCB O=C1/C(=C/c2ccccc2)SC(=S)N1C[C@H]1CCCO1 9188447 RUYIUTHXMSKCGN-FNWMBBJUSA-N 305.424 3.067 10 40 DGCB CCOc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1O 15011444 NXFKWGQWWICYFA-DHZHZOJOSA-N 309.412 3.012 10 40 DGCB CCOC(=O)c1cccc(NCc2cccc(OC)c2O)c1 44836323 PCGKUFLEWYFXBD-UHFFFAOYSA-N 301.342 3.190 10 40 DGCB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1O 3471582 NFNFSDYRSBWYOF-UHFFFAOYSA-N 311.790 3.463 10 40 DGCB C[C@@H]1C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 69459368 FTEIHNWPLKHLCX-ABAIWWIYSA-N 324.371 3.029 10 40 DGCB O=C1c2ccccc2C(=O)C1(CO)c1cccc2ccccc12 59488887 KRTGQDLCAGQAFN-UHFFFAOYSA-N 302.329 3.149 10 40 DGCB COC(CNc1ccc2noc3c2c1C(=O)c1ccccc1-3)OC 507762 LOURBFFRZQNQHU-UHFFFAOYSA-N 324.336 3.070 10 40 DGCB CCN1/C(=C2\SC(=S)N(C)C2=O)C=Cc2ccccc21 972968 RYQNYAUXQNLOHI-SEYXRHQNSA-N 302.424 3.241 10 40 DGCB CCN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)SC1=S 6779623 NEMRAQFWEMNCDI-XFFZJAGNSA-N 308.384 3.124 10 40 DGCB CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(C)on1 8710665 UUYCECZJYZSTAS-UHFFFAOYSA-N 302.378 3.103 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccnc1 100422662 FMAAVQBJSRLBPC-WJDWOHSUSA-N 310.332 3.329 10 40 DGCB O=C1N=C(c2ccccc2)S/C1=C1\C(=O)Nc2ccccc21 3771291 APEBCTHIWKKBHI-YPKPFQOOSA-N 306.346 3.070 10 40 DGCB Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccc(C(C)C)cc1 97204435 YFAYXLOOEFFSHH-ZDUSSCGKSA-N 314.429 3.328 10 40 DGCB CCCN1C(=O)N/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 409239422 MPGVEFNDNOXRKW-GXDHUFHOSA-N 303.406 3.163 10 40 DGCB CCN(CC)c1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1 2211521 RQVBGXAJFORDKD-FHWLQOOXSA-N 302.462 3.489 10 40 DGCB Clc1ccc(CCN2COc3cc4c(cc3C2)OCO4)cc1 20418632 SRXBGYDDTZLYSF-UHFFFAOYSA-N 317.772 3.463 10 40 DGCB Cc1cn[nH]c1[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 257296814 REMMALIPAOTDNK-QGZVFWFLSA-N 310.445 3.308 10 40 DGCB CCNC(=O)c1cc[n+](CC)c(/C=C\c2c[nH]c3ccccc23)c1 4995552 XKYQTKOHGZOLCG-UHFFFAOYSA-O 320.416 3.395 10 40 DGCB Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)no1 8580718 GMGDJIFHXYSDPD-UHFFFAOYSA-N 322.777 3.244 10 40 DGCB Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nncs1 48797393 ZMVBBVLMSFERPE-UHFFFAOYSA-N 304.400 3.259 10 40 DGCB Cc1cc(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)c1 35352394 GKAQMOJXFXUQNE-BOPFTXTBSA-N 306.365 3.073 10 40 DGCB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(N)cc1 36075399 ZBHPUQXSHBKZJM-HNNXBMFYSA-N 305.422 3.470 10 40 DGCB in-vitro Cc1cc(NCc2ccc(N3CCCCC3)cc2)n2ncnc2n1 58283089 PQROKGLFURCVIH-UHFFFAOYSA-N 322.416 3.035 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 13882047 PNSWCVSUFSDRNI-NVNXTCNLSA-N 324.311 3.361 10 40 DGCB O=C1CC[C@H](C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)N1 6227461 AYBOGPKLLDBJIA-WGLILOHCSA-N 308.341 3.319 10 40 DGCB COc1cccc(O)c1[C@@H]1NCc2ccccc2-n2cccc21 104524 UPKPJXUXUAWMAI-LJQANCHMSA-N 306.365 3.384 10 40 DGCB CCCC1=NN2C(=N)/C(=C/c3ccc(C)cc3)C(=O)N=C2S1 5950991 AFNCQWOUIZFADU-VOBDGNOHSA-N 312.398 3.414 10 40 DGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)cc1 4292038 WOOOBPMASJQFCH-QGZVFWFLSA-N 310.353 3.098 10 40 DGCB O=C1NC(=S)S/C1=C/c1ccc(N2CCCCC2)cc1 3570221 USJXAKSFVAVGIN-JLHYYAGUSA-N 304.440 3.166 10 40 DGCB COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c1O 97105838 SUXAKKWOEMBVOM-MRXNPFEDSA-N 310.353 3.098 10 40 DGCB Cc1cc(C)c2c(N)c(C(=O)OCc3cc(C)on3)sc2n1 14152070 VJAJHVYUCVTZGF-UHFFFAOYSA-N 317.370 3.149 10 40 DGCB COc1ccc(N2CCCN(C3C[C@@H](C)O[C@H](C)C3)CC2)cc1 89920179 VYPUNSJQZUCQTB-HZPDHXFCSA-N 318.461 3.163 10 40 DGCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 4745708 LWOCLZPLNOKPDH-HQQGHWSLSA-N 321.423 3.059 10 40 DGCB CCCN(Cc1ccccc1O)C(=O)c1cnc2ccccc2n1 66096708 KNBNOENGNKTARX-UHFFFAOYSA-N 321.380 3.388 10 40 DGCB CN(C)c1ccc(CNC(=O)CCC(=O)c2cccs2)cc1 8170707 UJHMFKWSFTYNAD-UHFFFAOYSA-N 316.426 3.093 10 40 DGCB CCN(CC)c1ccc(CNC(=O)c2ccccc2OC)cc1 78502100 WBKYEUOJHXELTD-UHFFFAOYSA-N 312.413 3.471 10 40 DGCB CN(C)c1ccc(/C=C/C2=NC(=O)N[C@H](C(F)(F)F)C2)cc1 5333934 MCTPGXXTYUSHQW-YIALFULDSA-N 311.307 3.251 10 40 DGCB CN1CCCc2cc(CNCc3c[nH]nc3C(C)(C)C)ccc21 58476973 POVHNBVNAGORAQ-UHFFFAOYSA-N 312.461 3.379 10 40 DGCB Cc1[nH]cnc1CSCCNCc1cccc2[nH]ccc12 15423537 LTPAWMMZVBWCDM-UHFFFAOYSA-N 300.431 3.222 10 40 DGCB O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)cc1 8680612 RGLNAJUUZUOOJA-UHFFFAOYSA-N 306.322 3.047 10 40 DGCB aggregator COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1OC 1578248 DLWNDQKBVAZBHH-MDWZMJQESA-N 321.423 3.067 10 40 DGCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 408719759 QVWOOEOKKIOXDV-UITAMQMPSA-N 315.181 3.100 10 40 DGCB CC[C@H](C)N1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C 409019370 ITAAWFQIBAONMB-AVMBBCFPSA-N 305.399 3.219 10 40 DGCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(O)c1 1238008 FIMNIBCMTUTOPB-JYRVWZFOSA-N 314.391 3.193 10 40 DGCB CN1C(=O)/C(=C\c2ccc(N(C)C)cc2Cl)SC1=S 16101950 NRQVYBQURKOHIB-IZZDOVSWSA-N 312.847 3.237 10 40 DGCB C/C(=C1/SC(=S)NC1=O)c1ccc(Br)cc1 3023762 OBRPCNBOXUKRNG-TWGQIWQCSA-N 314.229 3.328 10 40 DGCB O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 580414 BDTDZZXNQIDWSU-UHFFFAOYSA-N 318.181 3.500 10 40 DGCB COc1ccc(-c2ccc(CC(=O)O)n2-c2ccc(O)cc2)cc1 6625011 YEMCTGACVQMWCL-UHFFFAOYSA-N 323.348 3.486 10 40 DGCB CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4139591 OGONIROXPIPVDK-XJKCOSOUSA-N 315.369 3.038 10 40 DGCB Cn1cccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 13768754 SYHLUNMVYUSARV-UVTDQMKNSA-N 314.435 3.427 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 100147617 IYFMADQFWYYKGK-FOCLMDBBSA-N 323.308 3.287 10 40 DGCB O=C1c2ccccc2C(=O)c2c(/C=C\N3CCCCC3)ccnc21 5810615 ZZOIBZBKTUIRIW-LCYFTJDESA-N 318.376 3.314 10 40 DGCB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1O)NCC2 36314 PNAGXZKDAYOFFI-IBGZPJMESA-N 313.397 3.425 10 40 DGCB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCSCC1 500294 YQWVJGVOHAIZML-ISLYRVAYSA-N 318.402 3.392 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 27857809 FXAUIJBOQIUQDN-CRAIPNDOSA-N 312.413 3.391 10 40 DGCB O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1c(F)cccc1F 71909558 CRFJFSFZNZKABM-RYUDHWBXSA-N 303.308 3.090 10 40 DGCB CC(C)(C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 5372284 MVTBEQFBEVQOPG-GHXNOFRVSA-N 321.423 3.415 10 40 DGCB CCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 13757793 QGOYMEYNSGNPIA-KAMYIIQDSA-N 302.399 3.151 10 40 DGCB Cn1cccc1/C=C1/SC(=S)N(Cc2ccco2)C1=O 5371625 TZUHWODOEHNNMD-XYOKQWHBSA-N 304.396 3.020 10 40 DGCB O=S(=O)(Nc1ccc(O)cc1)c1cccc(C(F)(F)F)c1 3422999 GCFAANJXMWJPRW-UHFFFAOYSA-N 317.288 3.212 10 40 DGCB CCOC(=O)[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]12 13152916 HNUOXQDRHLEXMA-JTNHKYCSSA-N 322.202 3.466 10 40 DGCB CS/C(=C/c1ccc2ccccc2[n+]1C)N1CCSCC1 1576516 IXXMSCQLKPPBLI-UHFFFAOYSA-N 317.503 3.375 10 40 DGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccc(F)c1 100469087 MNLAVOFOWPWZFF-MHWRWJLKSA-N 324.311 3.330 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc([N+](=O)[O-])cc1 498465 QCXLQOZKNKMXAK-JLHYYAGUSA-N 317.370 3.051 10 40 DGCB Oc1c(CN2CCN(c3ccccc3)CC2)ccc2cccnc12 54260495 RNXZIQYCZLCPKB-UHFFFAOYSA-N 319.408 3.263 10 40 DGCB CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 74889046 QJWMCTUSSVRBEW-ZIAGYGMSSA-N 308.447 3.208 10 40 DGCB Cc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 9189330 AZZPCNGZNVFWCM-CKXDQPNJSA-N 319.451 3.375 10 40 DGCB CCN(CC)c1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1 5158401 RQVBGXAJFORDKD-QYZOEREBSA-N 302.462 3.489 10 40 DGCB CN(C)c1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 7117795 RXNZQCNYIHAZTL-UHFFFAOYSA-N 320.396 3.073 10 40 DGCB COc1ccc(CCN[C@H](C)c2ccccc2O)cc1OC 89909763 IYDLRECWRZIPMP-CYBMUJFWSA-N 301.386 3.303 10 40 DGCB CCN1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S 409343395 GOYIFPSWBBBSKG-WQLSENKSSA-N 317.391 3.014 10 40 DGCB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccc(N)cc2)C1 228912357 DYSRYZDMGJMFKQ-ZDUSSCGKSA-N 305.422 3.010 10 40 DGCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1O 4257301 WHEOSUQAGOFBFX-XNTDXEJSSA-N 308.337 3.207 10 40 DGCB O=C1[C@H](Cc2ccccc2)SC(=S)N1Cc1cccnc1 7094938 XMCBHHZVQJXXOF-AWEZNQCLSA-N 314.435 3.053 10 40 DGCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(C)cc1 408940306 UUQYORWUDRZVBQ-SFQUDFHCSA-N 304.349 3.437 10 40 DGCB Cn1cccc1/C=C1\SC(=S)N(Nc2ccccc2)C1=O 13758288 WRKONSSYQLLQHH-RAXLEYEMSA-N 315.423 3.253 10 40 DGCB COc1ccc2c(c1)CCCN2Cc1ccnc(N2CCCC2)n1 12241244 KBRPLDXWSSUWND-UHFFFAOYSA-N 324.428 3.038 10 40 DGCB CC1(C)OC(=O)C(=Cc2c(Cl)cccc2Cl)C(=O)O1 1726797 PANLUASLPLZSDL-UHFFFAOYSA-N 301.125 3.213 10 40 DGCB COc1ccc(N(CCCc2ccccc2)CCC(N)=O)cc1 12522521 PRQFNGHDODJWCP-UHFFFAOYSA-N 312.413 3.010 10 40 DGCB CNC(=O)c1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1 8188495 SACFBPCTAJNSDT-UHFFFAOYSA-N 312.413 3.001 10 40 DGCB CN(C)C1CCC(/N=N/c2cc([N+](=O)[O-])ccc2C(=O)O)CC1 16923767 JPSDCQWEWGPVOS-WUKNDPDISA-N 320.349 3.250 10 40 DGCB CN(C)c1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 5452252 MNLJQEMMXGPNOY-FYWRMAATSA-N 317.392 3.407 10 40 DGCB CN(C)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3 20135075 ZAEWDKBDPROWRW-UHFFFAOYSA-N 307.777 3.092 10 40 DGCB Cc1c(-c2ccccc2)n(O)c(-c2ccc(N(C)C)cc2)[n+]1[O-] 1568648 MNYNMNYSBNTXNP-UHFFFAOYSA-N 309.369 3.067 10 40 DGCB CCOC(=O)[C@@]1(c2ccccc2)NN=C(c2ccccc2)S1 38248054 YOIACLKOFBAIFT-KRWDZBQOSA-N 312.394 3.101 10 40 DGCB C[C@@H](Sc1nccs1)C(=O)NCCc1ccc(F)cc1 48874351 FDUGVXQREIETTM-SNVBAGLBSA-N 310.419 3.122 10 40 DGCB CCCCC1=NN2C(=N)/C(=C/c3ccccc3)C(=O)N=C2S1 4170608 IWLXXRFLQOCLTH-JHGHXDSISA-N 312.398 3.496 10 40 DGCB CCOC(=O)c1sc2nc(C)c3c(c2c1N)CC(C)(C)OC3 503354 MTULERJINJLZOA-UHFFFAOYSA-N 320.414 3.215 10 40 DGCB CCc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1 9189384 DWUGAWNLTMGQLR-RAXLEYEMSA-N 307.440 3.097 10 40 DGCB Cc1ccsc1/C=C1\SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O 4672585 CXSCXXJSWFBCQD-AZMCLKLJSA-N 322.455 3.136 10 40 DGCB Cc1ccc(C(C)C)c(O)c1C1(O)C(=O)c2ccccc2C1=O 11920665 XRNSMTMFLNNOKG-UHFFFAOYSA-N 310.349 3.091 10 40 DGCB COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 12523988 HZKAOHDHAIGURD-ATVHPVEESA-N 307.353 3.414 10 40 DGCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc(O)c1 5374637 BVEDFZMTHLSHAH-GHXNOFRVSA-N 302.380 3.126 10 40 DGCB CC1=CSC2=NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=N)N12 102446422 VUICEGLAVHJAIA-ZTNZKHEOSA-N 319.773 3.213 10 40 DGCB CCOC(=O)c1sc2nc3c(cc2c1N)CO[C@@H](C(C)C)C3 530390 HDXHTMRMDSYHKZ-GFCCVEGCSA-N 320.414 3.153 10 40 DGCB O=[N+]([O-])c1ccc(O)c(CN2CCC[C@@H](C(F)(F)F)C2)c1 69527868 NOMIDKAFOMBAEY-SNVBAGLBSA-N 304.268 3.075 10 40 DGCB CN(CCNC(=S)Nc1ccc(F)cc1F)c1ccccc1 16704925 OWSWIUKDTMNLHF-UHFFFAOYSA-N 321.396 3.388 10 40 DGCB Cn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1cccc(O)c1 101712980 VUUHWNFWUYWBLB-MSUUIHNZSA-N 314.366 3.103 10 40 DGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1 563180 BIGDJPIYTJZVOG-VBKFSLOCSA-N 311.381 3.302 10 40 DGCB CCN1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S 96843533 GMUYUTCZGYHVIO-LCYFTJDESA-N 315.423 3.093 10 40 DGCB Cc1ccc(F)c(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1 23127168 WVUUDADZQPGGEM-UHFFFAOYSA-N 319.332 3.190 10 40 DGCB COCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 4784889 LMGWBJVIIAZJMU-RAXLEYEMSA-N 307.440 3.233 10 40 DGCB CCC(CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 69563439 KVCMBQACKIDQNZ-UHFFFAOYSA-N 304.434 3.216 10 40 DGCB COc1cc(N(C)Cc2ccnc(Cl)c2)cc(OC)c1OC 96424543 YKVFEFAKOJSEKX-UHFFFAOYSA-N 322.792 3.397 10 40 DGCB Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 22177158 YYPAQLCILFIJCT-UHFFFAOYSA-N 321.174 3.049 10 40 DGCB COc1cc(Br)cc(CNc2cc(C)ccn2)c1O 135852 URQHEZIKJWTEMB-UHFFFAOYSA-N 323.190 3.479 10 40 DGCB CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 2760630 DZOKNYVRFCNNHJ-LCYFTJDESA-N 323.439 3.315 10 40 DGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccnc2)SC1=S 409207297 RLFBBKVGNRUUDM-MDWZMJQESA-N 315.423 3.037 10 40 DGCB CCN1C(=O)/C(=C/C=C\c2ccc(OC)cc2)SC1=S 33678848 AYIXBONFEYZKDO-YIDBNINZSA-N 305.424 3.473 10 40 DGCB CN(C)C1CCC(/N=N\c2cc([N+](=O)[O-])ccc2C(=O)O)CC1 104104913 JPSDCQWEWGPVOS-MSUUIHNZSA-N 320.349 3.250 10 40 DGCB CCOC(=O)CC1(c2ccccc2C)C(=O)c2ccccc2C1=O 408732955 BVOUOPMSRQBENH-UHFFFAOYSA-N 322.360 3.265 10 40 DGCB CN(Cc1ccccc1O)C(=O)c1ccc(-c2cnco2)cc1 56878536 IRXBHCAJYUHDFE-UHFFFAOYSA-N 308.337 3.319 10 40 DGCB COc1ccc(C2=C/C(=C/c3ccccc3O)C(=O)O2)c(OC)c1 408723455 VGAJOXLOHILSEJ-LCYFTJDESA-N 324.332 3.391 10 40 DGCB CCN(/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)CC 12411506 HYIGHKTYKUPVKX-XFXZXTDPSA-N 310.419 3.374 10 40 DGCB CCN(C(=O)/C=C/c1cnn(-c2ccccc2)n1)c1ccccc1 31701849 MMLLQFHJKVIHOI-BUHFOSPRSA-N 318.380 3.334 10 40 DGCB O=C1/C(=C/c2cccs2)SC(=S)N1C[C@@H]1CCCO1 2230152 YTSZOJKTVYQDKG-MKVDPYIPSA-N 311.453 3.128 10 40 DGCB COc1ccc(N2CCC(NC(=O)c3cccs3)CC2)cc1 69567189 KGPRKMMHKVECMI-UHFFFAOYSA-N 316.426 3.156 10 40 DGCB Cc1nc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)oc1C 65753309 JOFDDOOWAAGWCG-UHFFFAOYSA-N 302.378 3.021 10 40 DGCB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1O 4942341 RWJJAKFCADMYNQ-KRWDZBQOSA-N 324.380 3.489 10 40 DGCB Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1cccc(C(C)C)c1 97478138 NOZUYYDZXHMHHA-ZDUSSCGKSA-N 314.429 3.328 10 40 DGCB COc1cccc(NC(=O)NCCCSc2nccs2)c1 75139367 IFQVGHCSQDJDII-UHFFFAOYSA-N 323.443 3.456 10 40 DGCB CCOC(=O)c1ccc(NC2(C)C(=O)c3ccccc3C2=O)cc1 481816 STXJQHWOIMSLJO-UHFFFAOYSA-N 323.348 3.113 10 40 DGCB CC(=O)O[C@H]1C=CC[C@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]12 4963420 SNPUCAVGMTZVGE-JLSDUUJJSA-N 320.344 3.343 10 40 DGCB CCOc1ccc([C@H]2NN=C(c3ccccc3O)S2)cc1 3040724 FUKCQKKNINYVNK-HNNXBMFYSA-N 300.383 3.488 10 40 DGCB [N-]=[N+]=N[C@@]1(c2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O 73275076 ASMZQCLUQZYHPS-SFHVURJKSA-N 318.336 3.368 10 40 DGCB O=C1/C(=C/NCc2ccco2)SC(=S)N1c1ccccc1 618255048 OBBPPIBHFJUKHX-RAXLEYEMSA-N 316.407 3.276 10 40 DGCB CCc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 100868443 SQVCYPSUYNVCAD-RTBURBONSA-N 313.397 3.152 10 40 DGCB COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1F 8779977 KPZGYZWAYRBRHU-UHFFFAOYSA-N 314.360 3.226 10 40 DGCB O=C1NC(=S)S/C1=C\c1ccc(N2CCCCC2)cc1 3570222 USJXAKSFVAVGIN-RAXLEYEMSA-N 304.440 3.166 10 40 DGCB COc1cccc2cc(/C=C3\SC(=S)N(C)C3=O)oc12 12973676 RTGYHARSJYLWFS-XFFZJAGNSA-N 305.380 3.272 10 40 DGCB Cc1cc(CN2C[C@H]3CCCN3C[C@@H]2C)c(C)n1-c1ccccn1 72324559 GBAPYUJUACOORU-QFBILLFUSA-N 324.472 3.158 10 40 DGCB COc1cc(/C=C2/SC(=S)N(C(C)C)C2=O)ccc1O 20468893 SYMROXXCJHLMJC-KPKJPENVSA-N 309.412 3.010 10 40 DGCB C1=C(c2c[nH]c3ccccc23)CCN(c2ncnc3[nH]ncc23)C1 12556526 QOXYIHCPHZOWJH-UHFFFAOYSA-N 316.368 3.128 10 40 DGCB in-vitro Cc1ccccc1NC1=NC(=O)/C(=C/c2c(C)n[nH]c2C)S1 102791960 OQZAUHJYPMKHGK-ZSOIEALJSA-N 312.398 3.417 10 40 DGCB Cc1oc2c(c1C(=O)NC1CCCC1)C(=O)c1ccccc1C2=O 2700667 UDCYKPMXTCBPCZ-UHFFFAOYSA-N 323.348 3.036 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 84191438 RFOUTUQBIGQMJZ-QGZVFWFLSA-N 323.440 3.061 10 40 DGCB CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O 155495432 JNMNRALPBZSPLT-YPMHNXCESA-N 302.340 3.070 10 40 DGCB O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2)cc1 28336535 JXWCLODHVZZPCY-UHFFFAOYSA-N 312.388 3.285 10 40 DGCB O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccco1 1065238 MGCPUYVEJXVKDV-WQLSENKSSA-N 302.380 3.076 10 40 DGCB Cn1cccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 35040176 TZUHWODOEHNNMD-WQLSENKSSA-N 304.396 3.020 10 40 DGCB CN(C)c1ccc(CNC(=O)CCCc2cccs2)cc1 8171581 HEUXMXKGAKWKPH-UHFFFAOYSA-N 302.443 3.453 10 40 DGCB C[C@@H]1CCCCN1C1=NC(=O)/C(=C\c2ccc(O)cc2)S1 59474371 MVFWIZLYVFVKGD-ZTMOJVSCSA-N 302.399 3.237 10 40 DGCB O=C1NC(=O)c2ccccc2/C1=C/c1ccc(N2CCCC2)cc1 97086681 FQPCNLIOZJSTTO-AQTBWJFISA-N 318.376 3.097 10 40 DGCB Cn1cccc1/C=C1\SC(=S)N(c2cccc(O)c2)C1=O 13787037 NJJLFEUTNUGCQU-LCYFTJDESA-N 316.407 3.137 10 40 DGCB COc1ccc(N(C)Cc2ccccc2[N+](=O)[O-])cc1OC 58161954 DBDRKPQHJXHTOV-UHFFFAOYSA-N 302.330 3.248 10 40 DGCB CN(C)S(=O)(=O)Nc1ccc(/N=N/c2ccccc2)cc1 112691241 UBYODAPYNGZBJQ-FOCLMDBBSA-N 304.375 3.320 10 40 DGCB O=C1N=C(NCc2ccccc2)S/C1=C/c1ccc(O)cc1 13496603 RHKRIBIRDXKLEM-XNTDXEJSSA-N 310.378 3.152 10 40 DGCB COC(=O)c1c(C)oc2ccc(O)c(CN3CCCCC3)c12 5182493 DGBCBBYWJPRJBM-UHFFFAOYSA-N 303.358 3.219 10 40 DGCB Nc1c(Cl)cc(N2C(=O)c3ccccc3C2=O)cc1Cl 51590 AWRGNHYMQZGQBN-UHFFFAOYSA-N 307.136 3.376 10 40 DGCB O=C(CSc1ncnc2ccccc12)c1ccc(O)c(O)c1 8189220 SVOGZOKLUCXZST-UHFFFAOYSA-N 312.350 3.016 10 40 DGCB O=C1/C(=C/[C@@H]2CC=CCC2)SC(=S)N1C[C@H]1CCCO1 4187388 RMUGCXRQFPCRGN-QJHSLEFKSA-N 309.456 3.266 10 40 DGCB Cc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)on1 65487884 JQYUUOBLFAQWOP-UHFFFAOYSA-N 309.369 3.321 10 40 DGCB C/C(=C1\SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O)c1ccccc1 12417970 NWIBIQZUFDWWQW-IDNUSFOCSA-N 316.426 3.156 10 40 DGCB COc1cc2c(cc1OC)[C@H](Cc1ccc(N)cc1)N(C)CC2 1704425 CCTOTEIXUDCAEO-KRWDZBQOSA-N 312.413 3.058 10 40 DGCB OCCN[C@@H](Cc1ccccc1)c1c(O)ccc2ccccc12 1669467 GSHLIJHTMMLPOQ-SFHVURJKSA-N 307.393 3.411 10 40 DGCB C[C@@H](NCc1ccccc1O)c1ccc(N2CCOCC2)cc1 71792562 XONCOAQAFKQDIC-OAHLLOKOSA-N 312.413 3.080 10 40 DGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1ccco1 102977582 KCGQXFWBLOSCRZ-NTEUORMPSA-N 314.728 3.375 10 40 DGCB Cc1cc(C)cc(OC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1 100868409 ZRFLTMORMHZORC-OALUTQOASA-N 314.381 3.173 10 40 DGCB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccc(N)cc1 95971713 PZTQNYRJXRNMNF-SFHVURJKSA-N 323.440 3.069 10 40 DGCB C[C@@H](Sc1nccs1)C(=O)N1CCc2sccc2C1 48875762 CPZXUYVMDHDUPO-SECBINFHSA-N 310.469 3.270 10 40 DGCB CCOC(=O)c1sc2nc3cc(OC)ccc3cc2c1N 421658 PATSVBUHRHVREC-UHFFFAOYSA-N 302.355 3.217 10 40 DGCB Oc1c(F)cc(CNCCCSc2nccs2)cc1F 84044538 DKHRVTKUTLLKSS-UHFFFAOYSA-N 316.398 3.399 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NCc1ccccc1 6054283 XDHWCJOEXBURCE-AQTBWJFISA-N 305.381 3.391 10 40 DGCB COCCCN(Cc1ccccn1)Cc1cc(C)ccc1O 19133163 RYNKDVATNXBQGZ-UHFFFAOYSA-N 300.402 3.134 10 40 DGCB CCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)c(O)c(Cl)c1 42186142 HNKYQMSYAJUNAS-HNNXBMFYSA-N 318.760 3.338 10 40 DGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCCCC1 34120208 UHAUMUZDUQTLTO-PTNGSMBKSA-N 303.793 3.432 10 40 DGCB Cc1cc(C)cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1 2172609 REFFJPZEAJQLLE-RBUKOAKNSA-N 313.397 3.206 10 40 DGCB COc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)c(O)c1 19291079 CQSLYDGDCOVHIS-KRWDZBQOSA-N 315.417 3.252 10 40 DGCB O=C1Nc2c(Cl)cc([N+](=O)[O-])c(O)c2C2(CCCCC2)N1 1857793035 CJQNMCANBAAKJT-UHFFFAOYSA-N 311.725 3.248 10 40 DGCB COc1ccc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1C 8336402 OFNKXGKRDDXOJR-AWEZNQCLSA-N 323.483 3.431 10 40 DGCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc(F)cc1 100496705 YFDHPBRBUPSNTQ-FMQUCBEESA-N 317.364 3.341 10 40 DGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1sccc1C 409001960 RHUDPXXVRVZOLT-JYRVWZFOSA-N 319.426 3.385 10 40 DGCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NC1CC1 4786048 ZWGQWKNIGRXKOK-NTEUORMPSA-N 312.398 3.045 10 40 DGCB CC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc23)CCO1 27537359 CNHGDQLCMUVKHI-CQSZACIVSA-N 301.386 3.165 10 40 DGCB Cc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10907117 XBCLEWFRUFZQDF-UHFFFAOYSA-N 324.424 3.104 10 40 DGCB Cc1c(N[C@H](C)c2cc(F)ccc2O)cnn1[C@H]1CCOC1 585086973 BMUDOBDDYOWXKP-MFKMUULPSA-N 305.353 3.171 10 40 DGCB COc1cccc(O)c1[C@H]1NCc2ccccc2-n2cccc21 104527 UPKPJXUXUAWMAI-IBGZPJMESA-N 306.365 3.384 10 40 DGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(Cl)cc1 6050329 GOVHUDKLMKJBOZ-ZROIWOOFSA-N 319.788 3.421 10 40 DGCB Cc1ccc(C)c(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1 100621955 GFCDDMGBIWLLGB-OALUTQOASA-N 313.397 3.206 10 40 DGCB CCOc1ccc(/N=N\c2c(C)nn(C(N)=S)c2C)cc1 104112436 LLTWUHGWPWWPBI-MSUUIHNZSA-N 303.391 3.406 10 40 DGCB Cc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O 2310210 ZCTBEUVSZBQGDJ-UHFFFAOYSA-N 301.342 3.051 10 40 DGCB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCCCSc1nccs1 95987921 VSZQJSXMWMNDNE-XQQFMLRXSA-N 312.504 3.419 10 40 DGCB CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S 6178505 NOZUQKGXZMHEMR-WEVVVXLNSA-N 314.775 3.079 10 40 DGCB Oc1cc2c(cc1CN(Cc1cccs1)C1CC1)OCO2 26636736 GVQLLFMZLMAYJK-UHFFFAOYSA-N 303.383 3.347 10 40 DGCB O=C(COc1ccccc1)NCc1ccc(N2CCCCC2)cc1 13675496 FOJJJGUENCLLNB-UHFFFAOYSA-N 324.424 3.372 10 40 DGCB Cc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1 555566 QCGMULHCWFAEIE-UHFFFAOYSA-N 314.454 3.410 10 40 DGCB O=C(CSc1nccs1)N(Cc1ccccc1)C1CC1 60738420 ZWMKDYLVSMQLHA-UHFFFAOYSA-N 304.440 3.426 10 40 DGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=O)N(C)C1=O 33632585 DEFQLOCWHZKNJK-NTEUORMPSA-N 320.389 3.400 10 40 DGCB CCOC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 495528 WFABVWHJPZHDEH-UHFFFAOYSA-N 304.293 3.382 10 40 DGCB Cc1ccsc1/C=C1\SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O 13122618 CXSCXXJSWFBCQD-IMQPGDGPSA-N 322.455 3.136 10 40 DGCB COc1ccc2c(/C=C3\SC(=S)N(C)C3=O)c[nH]c2c1 54360759 QWVIAIPIMRUCKV-XGICHPGQSA-N 304.396 3.008 10 40 DGCB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(OC)c1O 7636355 MKFIEYBOWDVTHC-ZDUSSCGKSA-N 314.341 3.082 10 40 DGCB O=C(CSc1ncnc2ccsc12)c1ccc(O)c(O)c1 9385202 PVEVXFJDYHRYEL-UHFFFAOYSA-N 318.379 3.078 10 40 DGCB Cc1ccc(N2NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1C 206595 KYKPWDBYAFAJCY-XICJKMHVSA-N 318.376 3.321 10 40 DGCB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1O 58440649 DKHCKFLFLHMFDW-NSHDSACASA-N 305.761 3.129 10 40 DGCB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2O)N[C@H]1c1ccccc1O 12436621 KRXSFOJTJIEHNA-FVEFGIFQSA-N 311.381 3.325 10 40 DGCB CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4124115 VDXRBMQGNOBXBK-XJKCOSOUSA-N 315.369 3.182 10 40 DGCB CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)cc1 6570613 UPROUUIBOXVLAV-UHFFFAOYSA-N 323.318 3.096 10 40 DGCB O=C1/C(=C\c2ccccc2)C(O)=NC(=S)N1c1ccccc1 33315116 XRWVWCACQNEXHT-KAMYIIQDSA-N 308.362 3.358 10 40 DGCB O=C1OC(c2ccccc2)=C/C1=C1/C=C(c2ccccc2)OC1=O 5699555 MIANLYJPNCEFOV-FOCLMDBBSA-N 316.312 3.479 10 40 DGCB CCN1/C(=C2/SC(=S)NC2=O)C=Cc2cccc(C)c21 100199501 AEPHGEHDNBSRIA-ACCUITESSA-N 302.424 3.208 10 40 DGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 3547535 VXHDTDQPJXAFBC-KPKJPENVSA-N 322.408 3.057 10 40 DGCB Cc1ccc(-c2cnc(NCc3ccc(O)c(O)c3)n2C)cc1 33738182 ZKTJDYDVZKCDBA-UHFFFAOYSA-N 309.369 3.419 10 40 DGCB CC(C)(C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 35041449 MVTBEQFBEVQOPG-KPKJPENVSA-N 321.423 3.415 10 40 DGCB S=C(NCc1ccco1)SCc1cn2ccccc2n1 4137169 ZRECTPYPNSRBFR-UHFFFAOYSA-N 303.412 3.235 10 40 DGCB O=C1CSC(=S)N1c1ccc(Br)c(Cl)c1 3119197 YIXRQTBANVRSCN-UHFFFAOYSA-N 322.636 3.467 10 40 DGCB C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 25364299 BPAURIITMIEPMK-OAHLLOKOSA-N 321.428 3.184 10 40 DGCB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=[N+]=[N-])C[C@@H]12 104384888 QHLVLCORJUGIGW-PASDCYSWSA-N 310.397 3.401 10 40 DGCB O=C1NC(=S)S/C1=C\c1ccc(Sc2ccccn2)o1 408994300 ZDYGBFWHBIEXJV-CLFYSBASSA-N 320.420 3.315 10 40 DGCB COc1ccc(C(=O)Nc2ccc(N)cc2)cc1Br 38073922 JSCCVMQEBWNPTG-UHFFFAOYSA-N 321.174 3.292 10 40 DGCB O=C(NCCCSc1nccs1)NCc1cccs1 96467636 VZNHVOLMGPSDDA-UHFFFAOYSA-N 313.473 3.186 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccn1 100422943 CHSSBLAJUMFFMI-WJDWOHSUSA-N 310.332 3.329 10 40 DGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCO2 28335893 MTVAORCBTMWWAT-UHFFFAOYSA-N 322.408 3.152 10 40 DGCB CCO/C=C1\SC(=S)N(c2ccc(OCC)cc2)C1=O 1644655 KIKPSPFZIGHDIM-XFXZXTDPSA-N 309.412 3.328 10 40 DGCB O=C1N=C(Nc2ccccc2)S/C1=C/c1ccc(C(=O)O)cc1 16905187 MGUIXVWIRPRQGP-GXDHUFHOSA-N 324.361 3.467 10 40 DGCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(O)cc1 5374639 SYBIRKZUSHTODN-WQLSENKSSA-N 302.380 3.126 10 40 DGCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cccs1 409133817 QLSFDFJTYBWTDQ-XFXZXTDPSA-N 314.391 3.148 10 40 DGCB Clc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 43535379 BFUZHIZVOTXEOG-UHFFFAOYSA-N 311.776 3.300 10 40 DGCB Cc1cc(C)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 71831028 ZATUJKUMHACMQO-OAHLLOKOSA-N 312.417 3.103 10 40 DGCB Cc1cccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 41083274 UARNURMGNLDQTE-XWFJYDPRSA-N 312.398 3.270 10 40 DGCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC1CC1 8778656 NQODTFDORLMVQS-UHFFFAOYSA-N 315.442 3.249 10 40 DGCB CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4776851 PWBDMXAAKONICY-UHFFFAOYSA-N 307.349 3.447 10 40 DGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1F 100469083 DOOQNBRXBJRSBA-XNTDXEJSSA-N 324.311 3.330 10 40 DGCB CCCCN1C(=O)/C(=C\c2ccc(C)cc2)C(C(=O)OC)=C1C 409205116 MAVVJITUSNSKNC-VBKFSLOCSA-N 313.397 3.468 10 40 DGCB Cc1cc(CN2C[C@H]3CCCN3C[C@H]2C)c(C)n1-c1ccccn1 19567604 GBAPYUJUACOORU-VQIMIIECSA-N 324.472 3.158 10 40 DGCB COc1ccc(/C=C2\SC(n3nc(C)cc3C)=NC2=O)cc1 36633810 NMULVQQFVJDYAW-ZROIWOOFSA-N 313.382 3.027 10 40 DGCB COc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 199983 UPTQXKGPMPXULW-ZSOIEALJSA-N 322.316 3.405 10 40 DGCB COc1ccc(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 33556042 ZLKGXALCMPDTPD-JXCQQFQQSA-N 316.426 3.397 10 40 DGCB Cc1noc(CN(Cc2ccccc2O)C2CCCCC2)n1 69379981 PYQCEEYNUMKUJX-UHFFFAOYSA-N 301.390 3.419 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 26990057 KVJOUMKMUHLISE-HOTGVXAUSA-N 312.413 3.344 10 40 DGCB COc1cccc2ccc(/C=C3/SC(=S)N(C)C3=O)nc12 13688263 RMCKGHOYOMUUHO-XYOKQWHBSA-N 316.407 3.074 10 40 DGCB COc1cc(Br)c(N2CCCCC2)c([N+](=O)[O-])c1 45886316 OYDMTMZDWKGRME-UHFFFAOYSA-N 315.167 3.356 10 40 DGCB Cc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 4589581 NWXXQLZGOPJPFQ-MBUXQOJLSA-N 316.426 3.075 10 40 DGCB Cc1c(/C=C2/SC(=S)N(C)C2=O)c2ccccc2n1C 409344711 GOIHQHCTEAJHFY-MDWZMJQESA-N 302.424 3.318 10 40 DGCB C[C@H]1CN2CCC[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 72324508 ZZNBERTYCTXZDQ-RDJZCZTQSA-N 317.452 3.094 10 40 DGCB Cc1ccc(N2NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 5544081 WSTIWTNEALTGTP-BDKUJZOCSA-N 304.349 3.013 10 40 DGCB O=C1/C(=C/c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 9188446 RUYIUTHXMSKCGN-VWLVURMCSA-N 305.424 3.067 10 40 DGCB COc1ccccc1NC1=NC(=O)/C(=C/c2cccn2C)S1 35647113 IACYAHDWEWYVJW-UVTDQMKNSA-N 313.382 3.116 10 40 DGCB CO[C@@H](C(=O)NCCCSc1nccs1)c1ccccc1 79310589 OZBJUHOBHJKNKY-CYBMUJFWSA-N 322.455 3.129 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(F)c(F)c1 8117824 MSPXAAHPDKYPBC-LCYFTJDESA-N 308.353 3.421 10 40 DGCB Cc1ccc(S(=O)(=O)/N=N\[C@@H]2[C@@H]3[C@H]4C[C@@H]2C(C)(C)[C@H]43)cc1 104111545 UYCKWHNXMAPIRN-STGNVTAWSA-N 304.415 3.426 10 40 DGCB CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 409239408 NGWSXWVXBAZZIB-ATVHPVEESA-N 323.396 3.397 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 112107687 YZFAHXIFRWUYSP-LGMDPLHJSA-N 306.369 3.499 10 40 DGCB O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1CCC1=CCCCC1 17029342 OUPIWIIJFNLATO-KAMYIIQDSA-N 313.357 3.207 10 40 DGCB COc1cccc(/C=C2\SC(c3ccccc3)=NC2=O)c1O 12371624 CVOOZMVRMIQHQN-UVTDQMKNSA-N 311.362 3.462 10 40 DGCB CCN1C(=O)/C(=C/C=C/c2cccc([N+](=O)[O-])c2)SC1=S 2916408 UWQRIYAMLGNOLK-HOGPSILUSA-N 320.395 3.372 10 40 DGCB CC(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 12561385 JPBHOXFOHLNEBX-PTNGSMBKSA-N 316.426 3.113 10 40 DGCB CN(C1=NC(=O)/C(=C/c2ccccc2)S1)c1ccc(O)cc1 551730 CVJQOOGDQQQDIE-PTNGSMBKSA-N 310.378 3.499 10 40 DGCB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2C)cc1 4543582 XJSYUCVBXVNESQ-JLHYYAGUSA-N 305.381 3.170 10 40 DGCB CN1C(=O)[C@@](Cc2ccccc2)(N=[N+]=[N-])C(=O)c2ccccc21 100931193 SNNVFMGAIDLDSB-KRWDZBQOSA-N 306.325 3.138 10 40 DGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1C(C)C 34718830 SRLJOJNUYDKFCX-BOPFTXTBSA-N 323.396 3.147 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 6788393 XVSDWWSGMIAYKY-NTEUORMPSA-N 311.297 3.302 10 40 DGCB CC1=CNC(C(=O)/N=N/c2ccnc3cc(Cl)ccc23)=CN1 23701244 JWTHPPIJHYNWIV-QZQOTICOSA-N 313.748 3.394 10 40 DGCB CCOc1ccc(/N=N/c2c(C)nn(C(N)=S)c2C)cc1 18113331 LLTWUHGWPWWPBI-WUKNDPDISA-N 303.391 3.406 10 40 DGCB CC(C)CC1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 121357 UGADEAMSDZPWDL-IYTUHVGOSA-N 318.427 3.413 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(OC)ccc(Cl)c2[C@@H]2C=CC[C@H]12 58850846 YFXGUUBMQWAOGP-ISTVAULSSA-N 307.777 3.366 10 40 DGCB O=C(Nc1cn[nH]c1)N(Cc1ccccc1O)C1CCCCC1 65515347 TTWHIUKGXRIAMK-UHFFFAOYSA-N 314.389 3.482 10 40 DGCB CCN1/C(=C\C=C2/SC(=S)N(C)C2=O)Oc2ccccc21 33922292 PCSYXWHVLXYKLH-QRBCZBMESA-N 318.423 3.121 10 40 DGCB CC[C@@H](C)N1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C 409019378 ITAAWFQIBAONMB-PEHNMLCRSA-N 305.399 3.219 10 40 DGCB Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1ccccc1 3848768 SRYDOIJMJJLEJP-FMQUCBEESA-N 322.250 3.451 10 40 DGCB COc1cccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 100821559 FXCMWXLFSZRSNT-SFQUDFHCSA-N 307.353 3.414 10 40 DGCB C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C 14726789 MUBLYIKZGKHTMF-CLFVBBPSSA-N 300.354 3.469 10 40 DGCB biogenic,in-vitro COc1cccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c1 5374636 SEQZKWSHJNIFOQ-JYRVWZFOSA-N 316.407 3.429 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@H]2C=CC[C@@H]21 4728022 DXRRYTCUQOXXIL-MWODSPESSA-N 321.760 3.055 10 40 DGCB biogenic,in-vitro O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc(O)cc1 1303104 DVSAWDNNQKTKOI-LCYFTJDESA-N 314.391 3.193 10 40 DGCB CN(Cc1ccccc1O)C(=O)Cc1cn(C)c2ccccc12 65475746 MZTKURPKUOCZJS-UHFFFAOYSA-N 308.381 3.085 10 40 DGCB COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1 408946251 YQSPPAYSTUVVSU-SFQUDFHCSA-N 320.348 3.137 10 40 DGCB Cc1cccc(C)c1NC(=S)NCCc1ccc(O)c(O)c1 13637709 SYHQGJPSSJBLEG-UHFFFAOYSA-N 316.426 3.244 10 40 DGCB COc1cccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1 281789 CJVVSXZDVBLKFA-PTNGSMBKSA-N 316.426 3.397 10 40 DGCB CCOc1c(/C=C2\SC(=S)N(CC)C2=O)cccc1OC 59224961 FFMFARSNJRMDEZ-XFXZXTDPSA-N 323.439 3.315 10 40 DGCB COc1cccc(/C=C2\SC(NC3CCCC3)=NC2=O)c1 20987373 MCJZLQQBWKXIAC-UVTDQMKNSA-N 302.399 3.198 10 40 DGCB CCCN1C(=O)/C(=C\c2cccc(Cl)c2)C(C(=O)OC)=C1C 574563 XMLWEBJVIBOYAG-UVTDQMKNSA-N 319.788 3.423 10 40 DGCB COC(=O)c1ccccc1/N=N\Nc1ccccc1[N+](=O)[O-] 16926808 SCCPDVCXGPSUCY-UHFFFAOYSA-N 300.274 3.492 10 40 DGCB Cc1cc(O)c(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1C 42095951 DYKUBOBBMMBJAY-UHFFFAOYSA-N 318.461 3.088 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 5544262 PFWMSCXBJMOTAM-DHDCSXOGSA-N 308.337 3.212 10 40 DGCB Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1-c1ccccc1 6365834 ILWHBYXLWGEGSG-UHFFFAOYSA-N 312.398 3.187 10 40 DGCB CC1(C)[C@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H](c1ccccc1)O2 106783700 DKSBBZLZWIFBSR-QANKJYHBSA-N 320.352 3.051 10 40 DGCB Cc1noc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 23374050 KDDGBYMIGCGUIM-UHFFFAOYSA-N 311.341 3.143 10 40 DGCB CC(C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])s2)SC1=S 2697674 LAWRJNCAVJNOJM-YVMONPNESA-N 314.413 3.266 10 40 DGCB CCc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 100868445 SQVCYPSUYNVCAD-OALUTQOASA-N 313.397 3.152 10 40 DGCB COc1cc2nc(-c3ccc(N(C)C)cc3)n(C)c2cc1OC 297244 SCJDZABSWVFWGF-UHFFFAOYSA-N 311.385 3.324 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)nc1 96452423 QHANIUJJWALTPS-DHZHZOJOSA-N 307.806 3.191 10 40 DGCB O=C1N=C(S)S/C1=C\c1cc(Br)cs1 2536780 GNMIZFDTQTZKRL-KXFIGUGUSA-N 306.231 3.411 10 40 DGCB CCN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S 1631484 VAUGFLQWBHLWAJ-GHXNOFRVSA-N 317.391 3.014 10 40 DGCB CC1(C)OC(=O)C(/N=N/c2ccc(Cl)c(Cl)c2)C(=O)O1 100938222 GVWGTZFUGNEEBK-FOCLMDBBSA-N 317.128 3.282 10 40 DGCB COc1cccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)c1O 69568223 XYQQMRWQOJSZIS-CQSZACIVSA-N 323.396 3.437 10 40 DGCB CCOc1cccc(CNc2cc(OC)cc(OC)c2)c1O 44836370 XMHIZWPFVJELRE-UHFFFAOYSA-N 303.358 3.420 10 40 DGCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CO 3159505 VSTCYIYMXBDLKA-YCRREMRBSA-N 320.222 3.144 10 40 DGCB Cc1cc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)no1 8165904 ZAAMZJFOFQNTLY-UHFFFAOYSA-N 314.389 3.247 10 40 DGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(F)cc1 100147442 UJEJOGQEJNWSMA-CXUHLZMHSA-N 324.311 3.330 10 40 DGCB COC[C@@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C 12545406 ITCBRBLBSUUFOJ-PLSXKVAHSA-N 312.413 3.258 10 40 DGCB C[C@H]1C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 69459370 FTEIHNWPLKHLCX-NHYWBVRUSA-N 324.371 3.029 10 40 DGCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2O)c1OC 2125512 QYKFXJGSUZEMRR-KAMYIIQDSA-N 324.336 3.006 10 40 DGCB CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 4815984 HGZUORLDHMXCSH-FLIBITNWSA-N 308.384 3.206 10 40 DGCB C[C@H](C[C@H](O)c1cccs1)NCc1ccc2c(c1)CCO2 95448904 MRAGPKXNZNDYIU-DOMZBBRYSA-N 303.427 3.285 10 40 DGCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1 205532769 PYVKYQBIEILMDO-KAMYIIQDSA-N 308.362 3.087 10 40 DGCB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccccc1O 53916095 JEENJMCELCSSCP-UHFFFAOYSA-N 322.364 3.023 10 40 DGCB Cc1ccc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)o1 6267604 UHWNSCRBEPDEQI-MDWZMJQESA-N 300.339 3.376 10 40 DGCB CC(C)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 101406585 YJYMUYFEMIEASW-YRNVUSSQSA-N 303.412 3.173 10 40 DGCB COc1ccc(N(CCC(N)=O)Cc2ccccc2Cl)cc1 24716935 XKLKDGQQKKNMSO-UHFFFAOYSA-N 318.804 3.231 10 40 DGCB COc1ccc(/N=N\c2c(N)nn3cc4c(nc23)CCC4)cc1 104226615 RSVIUMBOCMSOAO-VXPUYCOJSA-N 308.345 3.224 10 40 DGCB Cc1noc(C)c1CNCc1cc(Br)ccc1O 78394155 LYDOWBMMDUZLFX-UHFFFAOYSA-N 311.179 3.049 10 40 DGCB Cc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)s1 5747383 IPYQERJDPXXWGU-JYRVWZFOSA-N 318.785 3.171 10 40 DGCB Cn1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 27229359 LWUABUYHTIGYBT-LCYFTJDESA-N 300.408 3.431 10 40 DGCB COc1ccc([C@@H]2CC(c3cc(C)ccc3O)=NN2)c(OC)c1 11867830 QVZIMKQMRDQGLE-HNNXBMFYSA-N 312.369 3.157 10 40 DGCB COCCCNCc1cc(C)n(-c2ccc(OC)cc2)c1C 113704477 NSFBSARFFKHXRF-UHFFFAOYSA-N 302.418 3.229 10 40 DGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)cc(F)c1 32914728 SPEHTPRDOSFBQV-UHFFFAOYSA-N 316.351 3.495 10 40 DGCB CN(C)c1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 32741126 LFSXUQZUZAONGT-UHFFFAOYSA-N 322.452 3.490 10 40 DGCB CCOc1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1 302964 FUKCQKKNINYVNK-OAHLLOKOSA-N 300.383 3.488 10 40 DGCB COCCCN1C(=O)/C(=C/c2cccc(C)c2)SC1=S 9189318 XWBVMEDVPCTXNV-RAXLEYEMSA-N 307.440 3.233 10 40 DGCB COc1cccc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 97105092 HSXAFCMVCMYZJO-KRWDZBQOSA-N 310.353 3.098 10 40 DGCB COC(=O)c1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1 70462736 BBPLILFHMRMBPM-ISLYRVAYSA-N 314.297 3.415 10 40 DGCB CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)c(OCC)c1 13784943 NTFMRGVELQQDFQ-JYRVWZFOSA-N 323.439 3.315 10 40 DGCB CCCCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 65488302 JEQSUYLNIWUYQP-UHFFFAOYSA-N 304.434 3.361 10 40 DGCB O=C(Nc1cccc(N2CCCC2)c1)c1ccc2[nH]cnc2c1 48383143 OSZXTFCMJGDLMS-UHFFFAOYSA-N 306.369 3.415 10 40 DGCB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2O)N[C@@H]1c1ccccc1O 58171944 KRXSFOJTJIEHNA-BMEPFDOTSA-N 311.381 3.325 10 40 DGCB CCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 2923926 ZDZQOOOEQVIBQX-JYRVWZFOSA-N 321.423 3.417 10 40 DGCB Nc1ccc(CC(=O)Nc2ccccc2Br)cc1 20185840 XUPFCLCZAOMGIC-UHFFFAOYSA-N 305.175 3.213 10 40 DGCB CCOc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1 101882220 ZBZLHYBHPORVTP-VHEBQXMUSA-N 311.345 3.454 10 40 DGCB Cc1ccc(C)n1-c1ccsc1C(=O)NO[C@@H]1CCCCO1 58423731 TYHGBNAWDZVFCM-CQSZACIVSA-N 320.414 3.344 10 40 DGCB COc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CC=CC2 5369380 FCOZJMBQSFZZEI-UHFFFAOYSA-N 320.344 3.134 10 40 DGCB Cc1cc(Br)cc(C)c1N1C(=O)CSC1=S 6188906 GVRVDJGVIHTKHU-UHFFFAOYSA-N 316.245 3.431 10 40 DGCB CC(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48345824 HHBSWSQJMPNCCJ-OKILXGFUSA-N 322.424 3.102 10 40 DGCB C[C@@H](c1ccccn1)N(C)Cc1ccc(N2CCOCC2)cc1 96486657 AFVTXHKWDMEBPO-INIZCTEOSA-N 311.429 3.111 10 40 DGCB C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN(C)C 135237112 PMLXKWGCZQOKDO-HNNXBMFYSA-N 312.413 3.044 10 40 DGCB COc1cc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)ccc1O 18063981 FZZQQWQRZMOSBS-XYOKQWHBSA-N 323.439 3.401 10 40 DGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSC)c2C)cc1 47895584 AHVIBLDGOBXYEZ-UHFFFAOYSA-N 317.410 3.426 10 40 DGCB COc1ccc(N2CCN(c3cc(C)c(C)cc3N)CC2)cc1 256050130 CVCRIFOAKJJSIX-UHFFFAOYSA-N 311.429 3.221 10 40 DGCB C[C@@H](NC(=O)NCCCSc1nccs1)c1ccncc1 89910308 VSYUQUGTDQGPSA-LLVKDONJSA-N 322.459 3.081 10 40 DGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1O 33305610 ZHCCLZUKQJBQSZ-XNTDXEJSSA-N 308.337 3.207 10 40 DGCB COC(=O)c1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1 70462690 LNISFLVHFMYJLO-WUKNDPDISA-N 300.270 3.292 10 40 DGCB CN(C)c1ccc(CNC(=O)/C=C/c2ccc3c(c2)CCO3)cc1 12543403 ZVLXIMGVUUQYIA-UXBLZVDNSA-N 322.408 3.017 10 40 DGCB COc1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)cc1 69415432 TVRWMNKGXHWVBJ-UHFFFAOYSA-N 316.445 3.361 10 40 DGCB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccccc1[N+](=O)[O-] 5451418 XVJLUFRRDJLDEC-ACCUITESSA-N 319.320 3.249 10 40 DGCB CCCN(Cc1ccccc1O)C(=O)c1cnn(C(C)(C)C)c1 69971529 BQWFHFFINDBSBY-UHFFFAOYSA-N 315.417 3.396 10 40 DGCB COc1ccc2cc(C(=O)N(C)Cc3ccccc3O)[nH]c2c1 69349753 QMLUQEFFJALLHP-UHFFFAOYSA-N 310.353 3.154 10 40 DGCB Fc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccc1N1CCOCC1 92485613 DLDFXIVSLVDDEZ-AEFFLSMTSA-N 318.436 3.427 10 40 DGCB CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O 155495755 JNMNRALPBZSPLT-WCQYABFASA-N 302.340 3.070 10 40 DGCB Cc1cc(/C=C2\SC(=S)NC2=O)ccc1N1CCCC1 15227009 GWCKIEJNYFMBNM-LCYFTJDESA-N 304.440 3.084 10 40 DGCB O=C1/C(=C/[C@H]2CC=CCC2)SC(=S)N1C[C@@H]1CCCO1 2682613 RMUGCXRQFPCRGN-UONHYXGFSA-N 309.456 3.266 10 40 DGCB Nc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc2c(c1)OCO2 101554563 XMHTUTLCTOYCSL-FMQUCBEESA-N 322.328 3.181 10 40 DGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1 28329349 LUOXRJXCOCJWAL-UHFFFAOYSA-N 316.351 3.495 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@@H]2C=CC[C@@H]12 4728024 DXRRYTCUQOXXIL-JRKPZEMJSA-N 321.760 3.055 10 40 DGCB biogenic,in-vitro O=C1N=C(N2CCCC2)S/C1=C\c1cn[nH]c1-c1ccccc1 2427882 SBRVHRFSLWSCHQ-UVTDQMKNSA-N 324.409 3.143 10 40 DGCB COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C(C)(C)C)c1 585139977 WGBSHKBZCGRQHB-GFCCVEGCSA-N 317.433 3.283 10 40 DGCB COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1OC 1190363 BKVGWYJGJFBGTG-JYRVWZFOSA-N 323.439 3.313 10 40 DGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1 103749751 JZHMNEGCPJKWHA-WJDWOHSUSA-N 307.309 3.401 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1C(=O)O 8573477 ZRGRODYQPGDTGT-PTNGSMBKSA-N 321.336 3.103 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cccc(O)c1 101350544 UGUOUFTYFYPOOR-GZTJUZNOSA-N 307.353 3.419 10 40 DGCB CCOC(=O)c1c(C)oc2cc(CN(C)C)c(O)c(Cl)c12 19707635 CDHOTIALOCTMAR-UHFFFAOYSA-N 311.765 3.339 10 40 DGCB COc1cccc(CNc2cncc(Br)c2)c1O 257197780 IZKQAHKMFBPFDR-UHFFFAOYSA-N 309.163 3.170 10 40 DGCB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(N)cc2)C1 36075396 DHGWCWNUTGCGDP-CYBMUJFWSA-N 305.422 3.328 10 40 DGCB in-vitro COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1N 20732256 PGESBBTUVMURPG-UHFFFAOYSA-N 308.385 3.037 10 40 DGCB Cc1ccc(N2NC(=O)/C(=C\c3ccccc3)C2=O)cc1Cl 59475173 VANLVOIILQHUNN-NTEUORMPSA-N 312.756 3.110 10 40 DGCB CCN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 5261306 XPFXEMBGPIGRBN-GHRIWEEISA-N 306.365 3.487 10 40 DGCB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)N2 267817 WKBADRCCZOOYME-CQSZACIVSA-N 301.415 3.285 10 40 DGCB CNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5812034 VPYWZOXJFGOKCP-UHFFFAOYSA-N 310.357 3.318 10 40 DGCB COc1nc(C(=O)N(C)Cc2ccccc2O)cc2ccccc12 58282366 PHPRZEYQWZACRY-UHFFFAOYSA-N 322.364 3.221 10 40 DGCB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 4525647 PEZPYQZHRLQPHO-BJOHPYRUSA-N 314.410 3.433 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc2c(c1)OCO2 102570199 WSSVPJZHZCPDFV-XNTDXEJSSA-N 321.336 3.134 10 40 DGCB CCCOc1ccc(CNCc2cccc(OC)c2O)cc1 40477119 ROGHLPRAHXAQCH-UHFFFAOYSA-N 301.386 3.479 10 40 DGCB CCN(CC)c1ccc(CNC(=O)C2(C)CCOCC2)cc1F 66841652 VGCYZTZLPYUWMB-UHFFFAOYSA-N 322.424 3.105 10 40 DGCB COCCCNCc1cc(C)n(-c2cccc(OC)c2)c1C 223674538 PTGKNXRPWMMRME-UHFFFAOYSA-N 302.418 3.229 10 40 DGCB CCc1cccc(CNc2ccccc2CS(C)(=O)=O)c1O 585141289 SXCSHXYEZXHWQN-UHFFFAOYSA-N 319.426 3.111 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 59485194 GQUCKBVYFBHTBT-ZROIWOOFSA-N 323.308 3.107 10 40 DGCB Cn1cc(/C=C/C(=O)N2CCSc3ccc(Cl)cc32)cn1 48331519 JCRXMHNYBPGMLA-GORDUTHDSA-N 319.817 3.226 10 40 DGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccn1C 8747663 IMDXFQRTWYSIQQ-UHFFFAOYSA-N 311.429 3.288 10 40 DGCB CCOC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1 100249974 AWDNOLDKRXEHND-SSZFMOIBSA-N 307.353 3.379 10 40 DGCB CC(C)=C1SC(N2CCN(c3ccccc3C)CC2)=NC1=O 264071 DRARPQSCRGLBSZ-UHFFFAOYSA-N 315.442 3.040 10 40 DGCB O=c1cc2oc3cc(O)c(O)cc3c(-c3cccnc3)c-2cc1O 4881528 LIDNLMKOIYMWGI-UHFFFAOYSA-N 321.288 3.077 10 40 DGCB Cc1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1 5357066 YQJKHELSAOXDAS-UHFFFAOYSA-N 314.366 3.258 10 40 DGCB c1ccc2c(c1)OCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 71831318 QRIKCXXDPPQHAI-IBGZPJMESA-N 324.424 3.137 10 40 DGCB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nccs1 52913815 FWXFCECVVMXULF-UHFFFAOYSA-N 323.399 3.481 10 40 DGCB COc1ccc(N(C)CCNC(=S)Nc2ccccc2)cc1 225797142 OFXLQMFMMKLLEU-UHFFFAOYSA-N 315.442 3.118 10 40 DGCB CCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 206207756 CTQMQVZQTJEPEL-UKTHLTGXSA-N 323.439 3.315 10 40 DGCB CCOc1c(/N=N\c2ccc(OC)cc2)c(C)nn1C(N)=S 104237575 FPBSMRWTNTUQQT-MSUUIHNZSA-N 319.390 3.106 10 40 DGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c(O)c1 541290 CMLFTCSZUWSSDT-KRWDZBQOSA-N 310.353 3.098 10 40 DGCB O=C1/C(=C\c2ccncc2)C(C(F)(F)F)=NN1c1ccccc1 408973887 WDUBKGYYCBNASE-RAXLEYEMSA-N 317.270 3.430 10 40 DGCB COc1cccc(CNc2cc(OC)c(OC)c(OC)c2)c1O 44836307 AIOIZXWKPPVLLG-UHFFFAOYSA-N 319.357 3.039 10 40 DGCB Oc1ccc(Br)cc1[C@@H]1CC(c2ccoc2)=NN1 4275485 BUHIIUIJIQSQID-LBPRGKRZSA-N 307.147 3.186 10 40 DGCB Oc1c(Cl)cc(Cl)cc1CN[C@@H]1c2ccccc2C[C@@H]1O 71792558 HLHDGOCFMWHZFP-LSDHHAIUSA-N 324.207 3.447 10 40 DGCB CN(C)Cc1cc(OCc2ccccc2)cc(CN(C)C)c1O 1717653 PFAJIWVJZFTNHT-UHFFFAOYSA-N 314.429 3.094 10 40 DGCB COC(=O)c1oc(CN(C)Cc2ccc(N(C)C)cc2)cc1C 58440138 FREPGXJKFQODHC-UHFFFAOYSA-N 316.401 3.073 10 40 DGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Cl)ccc1O 58865512 FVDPFMWROBEUJF-UHFFFAOYSA-N 322.744 3.189 10 40 DGCB COc1ccc(O)c(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 72395104 NNCJMNPNOBVEKM-SUMWQHHRSA-N 316.401 3.198 10 40 DGCB CCCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1C 17053478 ULRLHEIVPRWLDU-LGMDPLHJSA-N 315.417 3.472 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 18009903 PPHQWNUDYSYGAC-WJDWOHSUSA-N 307.309 3.401 10 40 DGCB COc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1 15162309 VZIAMIRDCFXODP-RVDMUPIBSA-N 316.426 3.397 10 40 DGCB CCOc1cccc(CNc2ccccc2C(=O)OC)c1O 44836389 UIPSYCUEMKUPOP-UHFFFAOYSA-N 301.342 3.190 10 40 DGCB CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 2785890 FCJCZGSWJFPWKU-LCYFTJDESA-N 323.439 3.315 10 40 DGCB S=C(/C=C1\NCCc2cc3c(cc21)OCO3)Nc1ccccc1 101383895 UZWGWVDIKZVBMY-GDNBJRDFSA-N 324.405 3.341 10 40 DGCB CCCCN1C(=O)/C(=C\c2cccc(C)c2)C(C(=O)OC)=C1C 408581794 ALIHTLCGERFDBR-VBKFSLOCSA-N 313.397 3.468 10 40 DGCB CN1C(=O)/C(=C/c2c(O)ccc3ccccc23)SC1=S 36613121 SSKGVKGERPTTHV-JYRVWZFOSA-N 301.392 3.376 10 40 DGCB CCN(CCNC(=O)c1cccc(F)c1)c1ccc(OC)cc1 224959625 UIJHOAXRGKBWCC-UHFFFAOYSA-N 316.376 3.091 10 40 DGCB CC(=O)O[C@H]1C=CC[C@@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]12 104082549 SNPUCAVGMTZVGE-WBAXXEDZSA-N 320.344 3.343 10 40 DGCB CN1C=CC=C/C1=C1/SC(=S)N(c2ccc(F)cc2)C1=O 4545609 XVWPJAMRWCEYAN-SEYXRHQNSA-N 318.398 3.417 10 40 DGCB CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O 155495546 JNMNRALPBZSPLT-DGCLKSJQSA-N 302.340 3.070 10 40 DGCB CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccc(O)cc12 319172 QKFKFTQCAIMSOA-LJQANCHMSA-N 307.349 3.477 10 40 DGCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(F)cc1 107418 ZKIBEWYNAKLJLA-UHFFFAOYSA-N 318.417 3.241 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccnc2)cc1 12484488 BQDQKNZVQXKNEG-UHFFFAOYSA-N 305.381 3.419 10 40 DGCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCC(C)C 100085138 NJSLCTJIRVXXSZ-FMIVXFBMSA-N 314.414 3.148 10 40 DGCB CCc1nc2ccccc2c(=O)n1/N=[N+](/CC)Nc1ccccc1 5477457 QZMNNFRMUKTHCR-UHFFFAOYSA-N 322.392 3.234 10 40 DGCB CCOC(=O)c1ccc(NC[C@H]2CNc3ccccc3N2)cc1 1713104 NZJXAWYMBOBCIQ-HNNXBMFYSA-N 311.385 3.181 10 40 DGCB Oc1ccc(OC[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1O 147766239 VJMXXTJAPJRAQL-CZUORRHYSA-N 317.360 3.009 10 40 DGCB CN(c1ccc(CNC(=O)[C@H]2CCOC2)cc1)C1CCCCC1 67593678 UNULBGWXJIHJKF-INIZCTEOSA-N 316.445 3.108 10 40 DGCB CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2ccccc2O)n1 127527900 CMWXHTCWJGEXFJ-UHFFFAOYSA-N 319.792 3.231 10 40 DGCB Cc1cccc(NC2CCN(C(=O)c3cc(O)cs3)CC2)c1 102732635 FGHOWOUIHYGCIE-UHFFFAOYSA-N 316.426 3.479 10 40 DGCB Cc1[nH]cnc1CSCCNC(=O)Nc1cccc(Cl)c1 9356314 PSHUIXQDGKWSLE-UHFFFAOYSA-N 324.837 3.426 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(F)cc1 40462396 GILLXJCYEBTXHX-UHFFFAOYSA-N 300.377 3.093 10 40 DGCB COc1cccc2c1C(=O)c1c(c(O)c3ccccc3c1O)C2=O 4026692 ISTYHDDFNKEPGD-UHFFFAOYSA-N 320.300 3.035 10 40 DGCB biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccn1 100930984 UHTWHLMBLKVARE-UVTDQMKNSA-N 312.760 3.454 10 40 DGCB CCN(CC)c1ccc(CNC(=N)N2CCC(C)CC2)cc1 58213971 REGUZQINKZKOPW-UHFFFAOYSA-N 302.466 3.289 10 40 DGCB CN(C)c1ccc(CNCc2cccc3c2OCCCO3)cc1 47496025 NMVQMNOSIADDML-UHFFFAOYSA-N 312.413 3.204 10 40 DGCB Cc1ccc(O)c(C2=NN[C@H](c3ccc(Br)o3)C2)c1 950332 IELLEXKXNKGVJK-NSHDSACASA-N 321.174 3.495 10 40 DGCB COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1OC 2373082 FHLUVHYMCPPASZ-WQLSENKSSA-N 323.439 3.313 10 40 DGCB CCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1C 17030711 ZGSWLAXTMXOSPK-VBKFSLOCSA-N 301.390 3.081 10 40 DGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=O)NC1=O 33656575 OGDRSUOZUTYSJZ-MDWZMJQESA-N 306.362 3.058 10 40 DGCB COc1ccccc1NC(=O)N(C)Cc1ccc(N(C)C)cc1 18181884 UQIZQMHVSGXIJY-UHFFFAOYSA-N 313.401 3.425 10 40 DGCB Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCCC2)cc1 30910523 ICAWLMPEQUKMKU-UHFFFAOYSA-N 318.852 3.272 10 40 DGCB COc1ccccc1-n1c(C)cc(C(=O)Nc2cnn(C)c2)c1C 95474848 YBSMVQPNGLJGDF-UHFFFAOYSA-N 324.384 3.089 10 40 DGCB C[C@@H](NCc1cccc(O)c1)c1ccc(N2CCOCC2)cc1 69849185 JWMFBWRGDNVFDS-OAHLLOKOSA-N 312.413 3.080 10 40 DGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c(O)c1 541289 CMLFTCSZUWSSDT-QGZVFWFLSA-N 310.353 3.098 10 40 DGCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C)c(O)ccc12 4044937 JVXCPKHRFJHYFA-UHFFFAOYSA-N 323.392 3.459 10 40 DGCB biogenic C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN(C)C 135237128 PMLXKWGCZQOKDO-OAHLLOKOSA-N 312.413 3.044 10 40 DGCB Nc1c(Cl)cc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1Cl 98050433 TZQAIIPKQXLDSR-RKDXNWHRSA-N 313.184 3.255 10 40 DGCB O=C1c2ccccc2C(=O)C1(Br)Cc1ccccc1 160457 BQVFRYBMHFZBCL-UHFFFAOYSA-N 315.166 3.442 10 40 DGCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10906884 KRUPWXYYULBEFZ-UHFFFAOYSA-N 324.424 3.104 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C/c1cccc([N+](=O)[O-])c1 506390 CJRHUXADOURCCB-JLHYYAGUSA-N 317.370 3.051 10 40 DGCB Cc1cccc(C)c1NC(=S)NNc1nc2ccccc2[nH]1 12659215 RDNFEEOWMBFNOP-UHFFFAOYSA-N 311.414 3.493 10 40 DGCB Cc1cccc(/N=c2\scc(-c3ccc(O)c(O)c3)n2C)n1 101723273 DKXMVMPSIRCIEQ-VLGSPTGOSA-N 313.382 3.101 10 40 DGCB CN(C)c1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1 17318110 WQTUYEXUUYMBCA-UHFFFAOYSA-N 306.413 3.228 10 40 DGCB CCOC(=O)[C@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@@H]2C=CC[C@H]12 43769633 DXRRYTCUQOXXIL-ZDMBXUJBSA-N 321.760 3.055 10 40 DGCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1N1CCCCC1 256055818 VJZDUZKCQNDRMU-HDZFOZLDSA-N 320.439 3.438 10 40 DGCB C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 48874345 YWOUGYPUVQNYMV-MRVPVSSYSA-N 309.372 3.171 10 40 DGCB O=C(NCCCSc1nccs1)NCc1ccsc1 89885458 CFHGKEARDFSWEM-UHFFFAOYSA-N 313.473 3.186 10 40 DGCB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2C)cc1 22225790 XPQZILWGYFPRDB-UHFFFAOYSA-N 303.431 3.012 10 40 DGCB CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1O)CCC2 14095426 GCEMUQHXMNFHHQ-UHFFFAOYSA-N 311.381 3.242 10 40 DGCB Cc1ccsc1/C=C1\SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O 4672586 CXSCXXJSWFBCQD-LBPWLNMHSA-N 322.455 3.136 10 40 DGCB O=C1c2ccccc2C(=O)C1(NCc1ccco1)c1ccccc1 20528355 GNDNNTIMTYOMJY-UHFFFAOYSA-N 317.344 3.344 10 40 DGCB [N-]=[N+]=NCC(=O)N[C@@H](CC(=O)c1ccccc1)c1ccccc1 100704940 HOUCHLUMANFKIH-HNNXBMFYSA-N 308.341 3.427 10 40 DGCB Cc1cc(O)c(CN2CCN(Cc3ccccc3)CC2)cc1C 22932971 KLBGKCGHUZNEMQ-UHFFFAOYSA-N 310.441 3.327 10 40 DGCB Cc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 409126575 CTXJXVDNQGHPFK-PTNGSMBKSA-N 322.389 3.395 10 40 DGCB COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)O1 430638 GJKJDPQODQHYNN-FOWTUZBSSA-N 322.364 3.106 10 40 DGCB Cn1cccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 2416574 XKNJVCWXLWVRTQ-RAXLEYEMSA-N 300.408 3.431 10 40 DGCB Cc1cc(/N=N/c2cccc(S(=O)(=O)O)c2C)c(N)cc1N 4523120 BTZONWCVRIACFT-ISLYRVAYSA-N 320.374 3.130 10 40 DGCB CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S 16681444 QLUTUVWHSRJHAQ-MDWZMJQESA-N 302.424 3.399 10 40 DGCB Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccccc1 2889695 WNBRROQPFNUFHI-XNTDXEJSSA-N 323.352 3.026 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@H]2C=CC[C@H]21 4728018 DXRRYTCUQOXXIL-IGJMFERPSA-N 321.760 3.055 10 40 DGCB biogenic,in-vitro CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 9188417 VNMPKOJKKFTYFJ-FLIBITNWSA-N 308.384 3.206 10 40 DGCB Cc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 13739260 BZSZTZKQUOLFPJ-CKXDQPNJSA-N 319.451 3.375 10 40 DGCB C/N=[N+](\[O-])c1cc(Br)cc(Br)c1N 63772504 MKCAFQFHZCUXKT-QXMHVHEDSA-N 308.961 3.018 10 40 DGCB Oc1ccc(O)c(CNc2ccc([C@H](O)C(F)(F)F)cc2)c1 1651439 YPAWXJGXRNYNDI-AWEZNQCLSA-N 313.275 3.306 10 40 DGCB CCN1C(=O)/C(=C\N2CCCc3ccccc32)SC1=S 4466704 XSXQLKSEPVVSQV-JLHYYAGUSA-N 304.440 3.161 10 40 DGCB Nc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1 20185794 YPJWFEFJUNZBEU-UHFFFAOYSA-N 305.175 3.213 10 40 DGCB CCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(Cl)c1 42186140 HNKYQMSYAJUNAS-OAHLLOKOSA-N 318.760 3.338 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2c[nH]ccc2=O)cc1 58474407 NBPGHTKOMFZFCR-UHFFFAOYSA-N 307.353 3.035 10 40 DGCB CC(C)(C)SCC(=O)NCCCSc1nccs1 79310625 IYAWDSBAJYMFCX-UHFFFAOYSA-N 304.506 3.273 10 40 DGCB Nc1ccc(OCc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 62719574 CBMRMFGFYGFLMQ-UHFFFAOYSA-N 300.749 3.286 10 40 DGCB O=C(Cc1ccc(F)cc1)NCCCSc1nccs1 71905636 USPUFLMKRXLLSJ-UHFFFAOYSA-N 310.419 3.123 10 40 DGCB CC(C)Oc1ccc(NC(=S)NCc2ccccn2)cc1 225330328 HRWFOIPHCOMPCC-UHFFFAOYSA-N 301.415 3.355 10 40 DGCB O=C1NC(=S)S/C1=C\Nc1ccc(Cl)c(Cl)c1 584906287 RQJZHYDQWCTSJS-YWEYNIOJSA-N 305.211 3.395 10 40 DGCB O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)OCO2 41371676 KAMVBVJTEWMCDQ-UHFFFAOYSA-N 310.353 3.268 10 40 DGCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1cccs1 96011709 BIKDXJOYKLLKRB-WDEREUQCSA-N 305.399 3.010 10 40 DGCB Cc1nc(C)c([C@H](C)NC(=O)N(C)Cc2ccccc2O)s1 57282993 KJKUQMBZZQBNNA-NSHDSACASA-N 319.430 3.368 10 40 DGCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccccn3)C2=O)cc1 100135996 HYPNIMDYWMOGHY-ATVHPVEESA-N 322.368 3.199 10 40 DGCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 5156270 NFFPAKYOUWCSSW-LCYFTJDESA-N 316.407 3.137 10 40 DGCB Cc1cc(NC(=O)NCc2ccc(N3CCCCC3)cc2)no1 58228885 CAUDSYMCYCHAPO-UHFFFAOYSA-N 314.389 3.295 10 40 DGCB O=C1/C(=C\c2ccccc2F)SC(=S)N1C[C@H]1CCCO1 1220259 SPZIUJWGHLTEIQ-KAQJVSAMSA-N 323.414 3.206 10 40 DGCB Cc1cc(O)c(CN2CCN(c3ccccc3F)CC2)cc1C 3350778 RWSKLIMTSAZSPK-UHFFFAOYSA-N 314.404 3.470 10 40 DGCB COc1cc(/N=N/c2ccccc2)ccc1NCS(=O)(=O)O 4822129 DSGHGYUDWBBPRC-WUKNDPDISA-N 321.358 3.368 10 40 DGCB S=C(NCc1ccccn1)Nc1cccc(Br)c1 8104305 ACKLPTVJXFTUQV-UHFFFAOYSA-N 322.231 3.331 10 40 DGCB O=C1NC(=S)S/C1=C/c1cc(Cl)c(O)c(Cl)c1 1483583 GSJQEDCPPJYLPN-XVNBXDOJSA-N 306.195 3.188 10 40 DGCB COc1cccc([C@H]2N=C(c3ccccc3)C(C)(C)N2O)c1O 3141982 PWQSPLYMNTXKMT-KRWDZBQOSA-N 312.369 3.372 10 40 DGCB c1ccc2c(NCc3ccc(N4CCOCC4)cc3)ncnc2c1 53583222 IAGMZWVYFMKEMQ-UHFFFAOYSA-N 320.396 3.079 10 40 DGCB CC1=NN(c2ccccc2C(=O)O)C(=O)[C@@H]1/N=N/c1ccccc1 100529964 OGFXKWDLRDEHMI-AMGRQBIBSA-N 322.324 3.260 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(Cl)cc(C(=O)O)cc2[C@H]2C=CC[C@H]21 6844106 PBEKNIKLVQVKHN-IMSIIYSGSA-N 321.760 3.055 10 40 DGCB Cc1cc(O)c(CN2CCN(Cc3cccs3)CC2)cc1C 24979909 BIZJIGUMWWPSRS-UHFFFAOYSA-N 316.470 3.388 10 40 DGCB Oc1ccccc1[C@@H](c1ccc(Cl)cc1)N1CCOCC1 12998208 LGACAMGKXBAKFO-QGZVFWFLSA-N 303.789 3.467 10 40 DGCB O=C(O)CC[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529433 GEGYCWAFQQQBPC-HNNXBMFYSA-N 324.336 3.118 10 40 DGCB CN(C)c1ccc2c(c1)CN(C(=O)c1ccco1)[C@@H]2c1cnco1 96086987 RBCJGGSMVHRDDH-KRWDZBQOSA-N 323.352 3.079 10 40 DGCB Cc1ccc(NS(=O)(=O)c2c(C)ccc3nsnc23)cc1 87430 HCHHWKIDOQUWSZ-UHFFFAOYSA-N 319.411 3.109 10 40 DGCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC 3506149 KNYKRCKTTKOVCO-LCYFTJDESA-N 323.439 3.315 10 40 DGCB COc1ccc([C@H]2NN=C(c3ccc(C)cc3)S2)c(O)c1 409077103 CXBHFKROKKBWLA-INIZCTEOSA-N 300.383 3.406 10 40 DGCB Cc1ccc(-n2ncc3c(Nc4ccc(N)cc4)ncnc32)cc1 6661050 AJZPNFNDSLQAHV-UHFFFAOYSA-N 316.368 3.450 10 40 DGCB Cc1ccc(N2C(=O)CSC2=S)cc1Br 1565626 XJEONBMVXGDYEB-UHFFFAOYSA-N 302.218 3.122 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 27857817 FXAUIJBOQIUQDN-MAUKXSAKSA-N 312.413 3.391 10 40 DGCB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 72324506 ZZNBERTYCTXZDQ-DOTOQJQBSA-N 317.452 3.094 10 40 DGCB Cc1cc(C)cc(NC(=S)NCCc2ccc(O)c(O)c2)c1 3265560 UBAAENDOIGCWLK-UHFFFAOYSA-N 316.426 3.244 10 40 DGCB Cc1cc(C)cc(OC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c1 1805585 ZRFLTMORMHZORC-MOPGFXCFSA-N 314.381 3.173 10 40 DGCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(O)=NC2=O)c1C 13810447 FQEACYJUBIMXNM-GDNBJRDFSA-N 309.369 3.041 10 40 DGCB COc1cc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)ccc1O 95945882 KLTDIGPOGIZQFI-INIZCTEOSA-N 310.353 3.098 10 40 DGCB Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1C 409129704 SCHRUSUYNQXBKN-QPEQYQDCSA-N 308.472 3.499 10 40 DGCB CC(=O)Oc1cccc(/N=[N+](\[O-])c2cccc(OC(C)=O)c2)c1 13403736 DUABHDTWTOZDJM-ZCXUNETKSA-N 314.297 3.463 10 40 DGCB CCOC(=O)[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21 4140557 HNUOXQDRHLEXMA-COPLHBTASA-N 322.202 3.466 10 40 DGCB Oc1cc2c(cc1O)[C@H](c1ccc(C(F)(F)F)cc1)NCC2 19691374 VYYSRTCJNMCYJU-HNNXBMFYSA-N 309.287 3.352 10 40 DGCB CCN(CC)c1ccc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1 5158363 RQVBGXAJFORDKD-OTWHNJEPSA-N 302.462 3.489 10 40 DGCB Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)o1 9444687 AKWLWLXSBLWIHJ-GHXNOFRVSA-N 302.380 3.389 10 40 DGCB CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 2112492 JLYWYKFDUSBXOI-WQLSENKSSA-N 315.423 3.298 10 40 DGCB CCN1C(=O)[C@@](N=[N+]=[N-])(c2ccccc2)C(=O)c2ccccc21 73257653 PEWYDORJMJTUMM-QGZVFWFLSA-N 306.325 3.442 10 40 DGCB CC(C)[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C 95415848 MNIUBEMDRPCSJY-INIZCTEOSA-N 305.418 3.077 10 40 DGCB COc1ccc(/N=N/c2c(N)nn3cc4c(nc23)CCC4)cc1 16958958 RSVIUMBOCMSOAO-FMQUCBEESA-N 308.345 3.224 10 40 DGCB CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 5863285 BBAVRTYDZDDHPY-XYOKQWHBSA-N 309.412 3.012 10 40 DGCB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCCSc1nccs1 95987919 VSZQJSXMWMNDNE-UPJWGTAASA-N 312.504 3.419 10 40 DGCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccco1 408798719 WTHVPSXEZNWDQV-WJDWOHSUSA-N 323.348 3.465 10 40 DGCB COc1c(C(C)=O)c(O)c(CN2CCCCC2)c2occc12 24718287 BICROWKYAHHKDA-UHFFFAOYSA-N 303.358 3.336 10 40 DGCB biogenic CCn1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2)c1C 95430340 PTGMGKFTFCPZOH-UHFFFAOYSA-N 300.450 3.218 10 40 DGCB CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 6481832 WZEDYBNGSHAXFW-XFXZXTDPSA-N 321.423 3.084 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C\c1cc(F)ccc1F 44025600 LRAQAMZVFZGYFL-LCYFTJDESA-N 308.353 3.421 10 40 DGCB COc1ccc(N2CCC(NC(=O)C[C@H](C)C3CC3)CC2)cc1 69848799 NOJZCVQBHHLECY-AWEZNQCLSA-N 316.445 3.216 10 40 DGCB COc1ccc(NC(=S)NCc2ccccn2)cc1Cl 225329179 WGGGJUAMORVVRY-UHFFFAOYSA-N 307.806 3.230 10 40 DGCB O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCNCC3)cc2)cc1 16400516 GGFFQYBNMZRTIQ-VHEBQXMUSA-N 311.345 3.420 10 40 DGCB CCCN1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1 22793397 NWEPCSKYQSKUGE-UHFFFAOYSA-N 314.429 3.082 10 40 DGCB CN(Cc1ccccc1O)C(=O)c1cc(Cl)c(Cl)n1C 48606765 QDLXJQJZTLWHET-UHFFFAOYSA-N 313.184 3.310 10 40 DGCB COc1ccc(NC(=S)NCc2ccccn2)c2cccnc12 225331045 MXGPDBFHXYDCQX-UHFFFAOYSA-N 324.409 3.125 10 40 DGCB O=C1N=C(Nc2ccccc2O)S/C1=C\c1cccc(O)c1 5214188 NYDSDEXVKGCYOQ-ZROIWOOFSA-N 312.350 3.180 10 40 DGCB O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Cl)c1O 12339021 DKPUTSXUNGELDW-UQCOIBPSSA-N 306.195 3.188 10 40 DGCB O=C1N=C(N2CCOCC2)S/C1=C\c1cccc2ccccc12 86206 SDHCZYNNLSNGJM-VBKFSLOCSA-N 324.405 3.142 10 40 DGCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccccc1 555567 BRYJVCUBPMPYHK-UHFFFAOYSA-N 300.427 3.102 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)ccn1 8401052 IMBRLKIYDHMDLJ-UHFFFAOYSA-N 303.793 3.073 10 40 DGCB CN(C)c1ccc(CNCc2c(Cl)nc3ccccn23)cc1 40088655 XPKNKIHMQIBQDB-UHFFFAOYSA-N 314.820 3.344 10 40 DGCB O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccccc1 79270662 JFKAWRBUYXVKNE-UHFFFAOYSA-N 306.368 3.204 10 40 DGCB CCCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 2707124 XDKURLITBMUJBQ-LCYFTJDESA-N 323.439 3.402 10 40 DGCB CN(C)c1ccc(CN(C)c2nccc(C(F)(F)F)n2)cc1 74270517 IXOFDIHKHFYSEC-UHFFFAOYSA-N 310.323 3.198 10 40 DGCB CC(C)NC(=O)CN(C)Cc1cc(Cl)c2ccccc2c1O 9452448 IHJPMBLJCBJONZ-UHFFFAOYSA-N 320.820 3.155 10 40 DGCB Oc1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)CCC2 23472978 VXCLHLQTSZGIQE-UHFFFAOYSA-N 322.452 3.199 10 40 DGCB O=S1(=O)CC[C@@H](Nc2ccc(Nc3ccccc3)cc2)C1 40177451 RXOXYPXBRBSQPT-MRXNPFEDSA-N 302.399 3.029 10 40 DGCB COc1ccccc1C[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 225471236 IBTBUWBZTOXMHT-GOSISDBHSA-N 324.424 3.054 10 40 DGCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1O 9867198 OEWRCZAEJIUDRE-QGZVFWFLSA-N 310.353 3.130 10 40 DGCB CCOc1ncccc1CN[C@H](C)c1cc(OC)ccc1O 97113249 QKLSVLLLTGVVIK-GFCCVEGCSA-N 302.374 3.045 10 40 DGCB O=C1N=C(N2CCOCC2)S/C1=C/c1cccc2ccccc12 86203 SDHCZYNNLSNGJM-FOWTUZBSSA-N 324.405 3.142 10 40 DGCB O=[N+]([O-])c1ccccc1NNC(=S)Nc1ccc(F)cc1 4656900 YUDVWRZDDMMMDD-UHFFFAOYSA-N 306.322 3.047 10 40 DGCB CNC(=O)CSc1ncc(-c2ccccc2)n1CC(C)C 22175310 SSIJWVKQWCARCQ-UHFFFAOYSA-N 303.431 3.044 10 40 DGCB CCCNC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 28276631 HOEWNIOOPOYVAG-UHFFFAOYSA-N 314.385 3.005 10 40 DGCB COC1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 41849944 RYACDPARURJOPA-UHFFFAOYSA-N 312.413 3.345 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccc1 100135988 RFVWYNYWLBQSJH-JXAWBTAJSA-N 305.381 3.473 10 40 DGCB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(C)=O)c1O 4942459 JFLKKUQCEHLWLI-ZDUSSCGKSA-N 316.382 3.160 10 40 DGCB COC(=O)c1ccccc1/N=N/c1cc(C=O)c(O)c(OC)c1 70462729 WIGOKYQJFLNFRJ-ISLYRVAYSA-N 314.297 3.415 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1O 408966317 ZOLHZDSGDCBQLS-UVTDQMKNSA-N 323.308 3.107 10 40 DGCB COc1ccccc1CNCc1cc(Br)ccc1O 40477061 HDQYHJLKEZLGHY-UHFFFAOYSA-N 322.202 3.453 10 40 DGCB CN(C)CN1C(=O)/C(=C\c2cccnc2)c2ccc(Cl)cc21 57156127 OYQBBMHFPNRRIX-NVNXTCNLSA-N 313.788 3.141 10 40 DGCB Cc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1 71775239 VOURBYRJOFVWKA-UHFFFAOYSA-N 306.369 3.074 10 40 DGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc(C(=O)O)c1 102572226 RMRJNBMFMDQSGD-AMGRQBIBSA-N 322.324 3.260 10 40 DGCB CCN(CC)c1ccc(CNC(=O)COc2ccccc2)cc1 79390092 KOESZIWKJJEJBJ-UHFFFAOYSA-N 312.413 3.228 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 84191439 RFOUTUQBIGQMJZ-KRWDZBQOSA-N 323.440 3.061 10 40 DGCB CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 408959683 DCXYMMXIBVKKGF-KAMYIIQDSA-N 302.399 3.343 10 40 DGCB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccccc1O 72336905 WWKOPNNOUAFWGL-ZBFHGGJFSA-N 320.396 3.005 10 40 DGCB O=C(NCCCSc1nccs1)c1cccc(F)c1F 79310598 VQPKTLOEKVCELK-UHFFFAOYSA-N 314.382 3.334 10 40 DGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccco1 5126967 BAPHKPFWTNPHDR-WQLSENKSSA-N 314.322 3.060 10 40 DGCB O=C(Cc1ccccc1F)NCCCSc1nccs1 74135873 JWJHLOPNIIUURZ-UHFFFAOYSA-N 310.419 3.123 10 40 DGCB CCc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 5555411 HTMXPMPFXYXGSA-UHFFFAOYSA-N 311.790 3.409 10 40 DGCB Cc1noc(C(C)C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 58731072 BNCSPLLJMMVCFO-UHFFFAOYSA-N 319.380 3.242 10 40 DGCB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccccc1O 100140918 WWKOPNNOUAFWGL-GDBMZVCRSA-N 320.396 3.005 10 40 DGCB Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)on1 12564204 MPTLDFOBGBKICJ-UHFFFAOYSA-N 313.401 3.246 10 40 DGCB CN(CCNC(=S)Nc1ccccc1F)c1ccccc1 16704924 XWMNQHDBBUHQOK-UHFFFAOYSA-N 303.406 3.249 10 40 DGCB COc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 101225460 VMNVNSXEJBHYLT-UHFFFAOYSA-N 323.396 3.393 10 40 DGCB COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1 13560428 DBHNGALCTKSHMU-GOSISDBHSA-N 310.353 3.098 10 40 DGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Cl)C(=O)C2=O 2666496 FQRYPWPKUXICNA-DLBZAZTESA-N 319.788 3.243 10 40 DGCB O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccn3)c-2cc1O 4535906 BGYWPLZPYQNKRZ-UHFFFAOYSA-N 321.288 3.077 10 40 DGCB COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 430756 BXPTZZGKQPJVKR-SFQUDFHCSA-N 322.364 3.106 10 40 DGCB CC(C)n1cnc2c(NCc3ccccc3O)nc(Cl)nc21 22054597 ULFRMKKNRPRGIR-UHFFFAOYSA-N 317.780 3.378 10 40 DGCB in-vitro CN(CCNC(=S)Nc1c(F)cccc1F)c1ccccc1 225571246 MJZCIOKECQCDDF-UHFFFAOYSA-N 321.396 3.388 10 40 DGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1Cl 58865708 MGEFLLBBSLGGRA-UHFFFAOYSA-N 306.745 3.484 10 40 DGCB COC(=O)c1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1 70462703 HHZUILXFCBMWFQ-WUKNDPDISA-N 300.270 3.292 10 40 DGCB NC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c2ccccc2c1O 7988100 CEPJMRXEBLDLBC-HNNXBMFYSA-N 318.804 3.039 10 40 DGCB Cc1ccc(N2C(=O)C3(CCOCC3)c3cc(N)ccc32)cc1 306130271 JARGFHFFNRMOCJ-UHFFFAOYSA-N 308.381 3.304 10 40 DGCB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c(O)c1 72395103 VEWZAKMUAZDKIE-SUMWQHHRSA-N 316.401 3.198 10 40 DGCB Oc1ccc(F)cc1CNc1ccccc1N1CCC(O)CC1 187941865 JPUIFNZFYVJAGD-UHFFFAOYSA-N 316.376 3.105 10 40 DGCB CCN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 33809106 BRJCPHDCOPTSEN-ZDHPXMGNSA-N 320.395 3.372 10 40 DGCB COc1cc(N(C)Cc2csc(C)n2)cc(OC)c1OC 96424547 NFAQIYDDQZINKU-UHFFFAOYSA-N 308.403 3.114 10 40 DGCB CN(C)c1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1 8172140 XTABCDCXQZZZAY-UHFFFAOYSA-N 307.397 3.174 10 40 DGCB Cc1c(O)c(CN(C)C)cc2c3c(c(=O)oc12)CCCCC3 4540374 BUXSLNKNASFIJG-UHFFFAOYSA-N 301.386 3.138 10 40 DGCB Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 96012618 XNCDDINOMCDPKB-LBPRGKRZSA-N 300.358 3.159 10 40 DGCB COc1ccccc1NC(=O)NCCCSc1nccs1 75139363 XHLFJLFYOJJZSC-UHFFFAOYSA-N 323.443 3.456 10 40 DGCB CC(=O)NC1=NC(=O)/C(=C/c2c(Cl)cccc2Cl)S1 71277 PJGNGQGGQWVSTJ-YHYXMXQVSA-N 315.181 3.100 10 40 DGCB COc1ccc(N(C)Cc2cn3ccsc3n2)cc1OC 89364853 LQZCBSQJERENNW-UHFFFAOYSA-N 303.387 3.049 10 40 DGCB COc1cccc(CNc2cc(C)nc(-c3ccncc3)n2)c1O 95958368 WIUNCARJBRPSSZ-UHFFFAOYSA-N 322.368 3.173 10 40 DGCB O=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1O)N[C@@H]2c1ccccc1O 13778126 VPRRXGCLWRHPQO-DJDHSFSDSA-N 323.392 3.469 10 40 DGCB COCCn1cc(-c2ccccc2)nc1Cc1ccc(O)c(O)c1 4679415 RSUILOPIEIGLBY-UHFFFAOYSA-N 324.380 3.199 10 40 DGCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(C)C1=O 408959506 ABUJHULFXLTPKM-GXDHUFHOSA-N 302.399 3.261 10 40 DGCB O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(O)cc1 1002978 LRLZBXRIABESDY-XYOKQWHBSA-N 303.364 3.391 10 40 DGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOCC2)c1 10135022 NLRMVSWGYYKIGG-UHFFFAOYSA-N 318.804 3.220 10 40 DGCB Cc1ccc(/N=N\c2cc(C)c(N)cc2N)c(S(=O)(=O)O)c1 17303048 OPHXJNWESLHVBH-ZCXUNETKSA-N 320.374 3.130 10 40 DGCB CC(=O)N[C@@H](c1ccccc1F)c1ccc2cccnc2c1O 270234 LVWAXNFMZJQGRQ-KRWDZBQOSA-N 310.328 3.305 10 40 DGCB CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4124113 VDXRBMQGNOBXBK-DVOMOZLQSA-N 315.369 3.182 10 40 DGCB Cc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 9189329 AZZPCNGZNVFWCM-GFAPJHNFSA-N 319.451 3.375 10 40 DGCB Cc1nnc(CN2CCCc3cc(OC(F)(F)F)ccc32)o1 97287117 DHDKWUFFXXWMOH-UHFFFAOYSA-N 313.279 3.229 10 40 DGCB CCN1C(=O)/C(=C/c2c(F)cccc2Cl)C(C(=O)OC)=C1C 408767705 GKFGJNJMULXHFV-DHZHZOJOSA-N 323.751 3.172 10 40 DGCB CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccccc1O 89947919 NBSFPUHAYQWXFT-MRXNPFEDSA-N 315.369 3.291 10 40 DGCB Cc1nnc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)o1 24906794 JIFSASDHTBXFKN-UHFFFAOYSA-N 311.341 3.143 10 40 DGCB C[C@H](Sc1nccs1)C(=O)N1CCc2sccc2C1 48875759 CPZXUYVMDHDUPO-VIFPVBQESA-N 310.469 3.270 10 40 DGCB O=C(CSc1ncnc2sccc12)c1ccc(O)c(O)c1 6115413 BXKTZIVQJRFQNR-UHFFFAOYSA-N 318.379 3.078 10 40 DGCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1cc(Cl)cc(Cl)c1 100408765 NZZVCOUGVDIHBO-YWEYNIOJSA-N 324.089 3.337 10 40 DGCB C[n+]1c2n(c3ccccc31)N=C(c1ccc(Cl)cc1)CS2 338137 TXPKKYLTJPBXRQ-UHFFFAOYSA-N 314.821 3.477 10 40 DGCB c1ccc(Cn2cc(CNCc3ccc4c(c3)CCO4)cn2)cc1 54174680 ORFVEJMWGIZTGA-UHFFFAOYSA-N 319.408 3.156 10 40 DGCB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1 420662 CIIRWQCSSFLTFH-UHFFFAOYSA-N 315.442 3.192 10 40 DGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1Cc1ccco1 7155206 XHYLSPBUSGMHIG-QPEQYQDCSA-N 318.423 3.235 10 40 DGCB Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 96012619 XNCDDINOMCDPKB-GFCCVEGCSA-N 300.358 3.159 10 40 DGCB S=C(NCCCN1CCc2ccccc21)Nc1ccccc1 225558316 SCVXPJMQWSDXJP-UHFFFAOYSA-N 311.454 3.426 10 40 DGCB CCCNC(=O)CN(Cc1cccs1)c1ccc(OC)cc1 57644619 GHHPHRXKKMVWSE-UHFFFAOYSA-N 318.442 3.290 10 40 DGCB Cc1cc(C)nc(NNC(=S)Nc2c(C)cccc2C)n1 16191000 QVONRQCKLNUXPF-UHFFFAOYSA-N 301.419 3.024 10 40 DGCB Oc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1O 12113844 XLZWGDFEGOFOQT-UHFFFAOYSA-N 310.357 3.162 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1CC(=O)O 12603975 BLIBUSWZDABXJU-BOPFTXTBSA-N 320.348 3.120 10 40 DGCB COc1cc(NC(=O)Cc2ccc(N)cc2)c(OC)cc1Cl 20185864 SYWXGHITFWHYFU-UHFFFAOYSA-N 320.776 3.121 10 40 DGCB Cc1c2cc(I)ccc2c[n+]2ccccc12 1730442 IAIFYHINZKXGPQ-UHFFFAOYSA-N 320.153 3.492 10 40 DGCB Oc1cc2c(cc1CN(Cc1ccc(F)cc1)C1CC1)OCO2 8151323 HNHKKZFQDNPXIQ-UHFFFAOYSA-N 315.344 3.425 10 40 DGCB O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1c(F)cccc1F 71909557 CRFJFSFZNZKABM-NWDGAFQWSA-N 303.308 3.090 10 40 DGCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccco1 408799277 YPGWMPWWGKYMIA-WJDWOHSUSA-N 323.348 3.465 10 40 DGCB CCN(CC)c1ccc([C@H]2NCC[C@]3(O)CCCC[C@H]23)cc1 5823022 RQVBGXAJFORDKD-GUDVDZBRSA-N 302.462 3.489 10 40 DGCB CCN(CC)CCOc1cccc2c1C(=O)c1ccccc1C2=O 4783302 UFKAGGWFBTZZGY-UHFFFAOYSA-N 323.392 3.183 10 40 DGCB CCn1c(-c2ccccc2)cnc1SCC(=O)NC(C)C 7125717 URQSMEYSRDUSLA-UHFFFAOYSA-N 303.431 3.187 10 40 DGCB CN1C(=O)/C(=C2\N(C)c3ccccc3C2(C)C)SC1=S 1009540 YVTIZMCTBKDMGC-VAWYXSNFSA-N 304.440 3.116 10 40 DGCB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(N)=O 32724345 DBLBPELYHKDWDQ-UHFFFAOYSA-N 323.421 3.332 10 40 DGCB O=C1/C(=C\c2ccco2)SC(=S)N1c1cccc(O)c1 5375967 FIAJZDDIBJHGBF-XYOKQWHBSA-N 303.364 3.391 10 40 DGCB CCOC(=O)c1c(O)cccc1/C=C/c1ccc(O)c(O)c1 35973523 WVNVHOPWQXYSDT-SOFGYWHQSA-N 300.310 3.151 10 40 DGCB O=C(O)C1CCN([C@@H](c2ccccc2)c2ccccc2O)CC1 97143820 XNLWPORHWAPVLA-SFHVURJKSA-N 311.381 3.278 10 40 DGCB Cc1c(/N=N/c2c(O)cccc2O)c(=O)n(-c2ccccc2)n1C 110341790 ONCGXBWUNVGJHY-VHEBQXMUSA-N 324.340 3.311 10 40 DGCB CC(/C=C1/C(=O)NC(=O)N(C2CCCC2)C1=O)=C\c1ccccc1 409195237 NTEOGOVGGZXWSL-DXHZZVMKSA-N 324.380 3.037 10 40 DGCB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(O)cc1 69228 NKDQHQIUCGSFNK-SDNWHVSQSA-N 302.399 3.239 10 40 DGCB CN(C)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCC4)N2)cc1 523154 HLQSCJLRSCYTCH-OAHLLOKOSA-N 313.426 3.157 10 40 DGCB CSC1=NC(=O)/C(=C/c2ccccc2-n2cccn2)S1 1384355 IGNJNTFJFYEJLP-XFXZXTDPSA-N 301.396 3.206 10 40 DGCB CSc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 8569664 SPLRJYIYHKDQOZ-RAXLEYEMSA-N 304.440 3.475 10 40 DGCB COC(=O)c1cccc(/N=N/c2cc(C=O)c(O)c(OC)c2)c1 70462730 ADDJQLUPRUEZID-ISLYRVAYSA-N 314.297 3.415 10 40 DGCB CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C)C)c1 1574819 WFFVOYIYKQPAFS-QZQOTICOSA-N 319.800 3.084 10 40 DGCB NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 5552570 FCCPQZBRMFBDSK-BAQGIRSFSA-N 305.211 3.068 10 40 DGCB CCO/C(O)=C1/SC(c2cccc(C(F)(F)F)c2)=NC1=O 100328645 VOXKCQDOTOJJPH-FMIVXFBMSA-N 317.288 3.489 10 40 DGCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CC1 100423204 AOSUUUWHZGNONY-ATVHPVEESA-N 313.401 3.224 10 40 DGCB Cc1cc(C(=O)OCC(=O)c2ccc[nH]2)c(C)n1-c1ccccc1 6266140 WSARIVMKAMZLOL-UHFFFAOYSA-N 322.364 3.462 10 40 DGCB CN1/C(=C\C=C2/SC(=S)NC2=O)C(C)(C)c2ccccc21 4579627 GRXBURXHFVDQEI-JMVBYTIWSA-N 316.451 3.330 10 40 DGCB CC(C)(C)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 35040224 ZXDPOWIXCVBSBB-DHZHZOJOSA-N 321.423 3.385 10 40 DGCB Cc1cc(NS(=O)(=O)c2cccc(Cl)c2C)ccc1O 95429789 CZDNDABKGQRHNO-UHFFFAOYSA-N 311.790 3.463 10 40 DGCB O=[N+]([O-])c1cc(CNc2ccccc2)ccc1N1CCOCC1 226240917 GEIZCIIRTOTNMA-UHFFFAOYSA-N 313.357 3.044 10 40 DGCB COc1ccc(O)c([C@H](C)NCc2cn(C)nc2C(C)(C)C)c1 585139978 WGBSHKBZCGRQHB-LBPRGKRZSA-N 317.433 3.283 10 40 DGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(C)o1 4592027 WZGQQPFHUKBFPE-OQLLNIDSSA-N 311.297 3.302 10 40 DGCB C[C@H](Sc1nccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 48874342 YWOUGYPUVQNYMV-QMMMGPOBSA-N 309.372 3.171 10 40 DGCB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(N(C)C)cc1 58268750 KSQXWVOZPMSIDR-MRXNPFEDSA-N 311.385 3.433 10 40 DGCB Cc1cccc(C)c1NS(=O)(=O)c1cccc2nsnc12 212945 ZVCLOBCXUXQPKY-UHFFFAOYSA-N 319.411 3.109 10 40 DGCB COC[C@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C 12545407 ITCBRBLBSUUFOJ-VNDWYCCKSA-N 312.413 3.258 10 40 DGCB CCN1C(=O)/C(=C\C=C\c2ccc(OC)cc2)SC1=S 33678849 AYIXBONFEYZKDO-UAWWFITHSA-N 305.424 3.473 10 40 DGCB CN(C)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1 23956811 ZKZNLSQWOMVBGY-UHFFFAOYSA-N 304.777 3.042 10 40 DGCB CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12 57312204 CZVDAKVSDVEJCA-UHFFFAOYSA-N 313.328 3.366 10 40 DGCB Cc1cc(CN2C[C@@H]3CCCN3C[C@@H]2C)c(C)n1-c1ccccn1 72324556 GBAPYUJUACOORU-LPHOPBHVSA-N 324.472 3.158 10 40 DGCB NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccccc1 44085423 KRUXWWCGYLKVTQ-UHFFFAOYSA-N 323.421 3.176 10 40 DGCB Cc1c(N[C@@H](C)c2cc(F)ccc2O)cnn1[C@@H]1CCOC1 585086972 BMUDOBDDYOWXKP-GXFFZTMASA-N 305.353 3.171 10 40 DGCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1O 1197443 PRELBYJLRULZOV-WQLSENKSSA-N 309.412 3.012 10 40 DGCB COc1ccsc1C(=O)NCCCSc1nccs1 79310611 VFBWHOURFBRUJF-UHFFFAOYSA-N 314.457 3.125 10 40 DGCB CN(CCNC(=S)Nc1ccc(F)cc1)c1ccccc1 16704908 FSPLUJKEATVNHI-UHFFFAOYSA-N 303.406 3.249 10 40 DGCB COc1ccccc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O 71792492 KWERDVPEYGOYRM-LLVKDONJSA-N 302.330 3.160 10 40 DGCB CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 76020136 KNLJXDNOVHSDMR-UHFFFAOYSA-N 322.368 3.446 10 40 DGCB CN(C)c1ccc([C@@H]2C(=O)c3ccc([N+](C)(C)C)cc3C2=O)cc1 101462985 COTUFYDYOBHLKV-GOSISDBHSA-N 323.416 3.112 10 40 DGCB Cc1ccc(/N=N/c2cc(C)c(N)cc2N)c(S(=O)(=O)O)c1 4523140 OPHXJNWESLHVBH-ISLYRVAYSA-N 320.374 3.130 10 40 DGCB CN(C)C(=O)CCCSc1ncc(-c2ccccc2)n1C 191719918 GVRQDKAUDRXHLU-UHFFFAOYSA-N 303.431 3.048 10 40 DGCB CC(C)(C)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 5371240 WUYLRLBSDYMRCX-XFFZJAGNSA-N 309.412 3.098 10 40 DGCB Cn1cccc1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O 27229421 NFFPAKYOUWCSSW-UKTHLTGXSA-N 316.407 3.137 10 40 DGCB COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1O 2697660 USJZPPKZJGFWOK-XFFZJAGNSA-N 309.412 3.010 10 40 DGCB CCc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 2172630 SQVCYPSUYNVCAD-MOPGFXCFSA-N 313.397 3.152 10 40 DGCB CC(C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 6781826 QRVJFVCPYNTYNV-XFFZJAGNSA-N 308.384 3.204 10 40 DGCB C[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 19575094 ZZNBERTYCTXZDQ-WBVHZDCISA-N 317.452 3.094 10 40 DGCB COC(=O)c1sc2c(cnc3c(OC)cc(C)cc32)c1O 64874671 ILHRONGIFRZAJC-UHFFFAOYSA-N 303.339 3.259 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(Cl)cc(C(=O)O)cc2[C@@H]2C=CC[C@H]12 6463745 PBEKNIKLVQVKHN-ISTVAULSSA-N 321.760 3.055 10 40 DGCB Cc1ccc2nc(C)c(C(=O)NCc3ccccc3O)cc2c1 58196470 BLFTYTGXCUKVIW-UHFFFAOYSA-N 306.365 3.487 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ncccc1C 112107681 ZETVNERDKSIKFH-SSZFMOIBSA-N 306.369 3.499 10 40 DGCB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(O)c(O)c2)S1 85412422 RWHKHILWJORRGH-CYBMUJFWSA-N 319.386 3.055 10 40 DGCB COc1cc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)ccc1O 95945883 KLTDIGPOGIZQFI-MRXNPFEDSA-N 310.353 3.098 10 40 DGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1cccnc1 223951267 SESWASCSOGOBCY-UHFFFAOYSA-N 312.442 3.168 10 40 DGCB COc1ccc(N2CCCN(C(=O)c3ccsc3)CC2)cc1 55877777 DVWYQBGDZOOCOR-UHFFFAOYSA-N 316.426 3.109 10 40 DGCB NC(=O)COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 16448777 DAGXSYCHGWLECY-UHFFFAOYSA-N 319.364 3.240 10 40 DGCB CCN1C(=O)/C(=C\NCc2ccccc2Cl)SC1=S 101085165 SLPNBABXOQJPCP-DHZHZOJOSA-N 312.847 3.151 10 40 DGCB CCN(Cc1c(F)cccc1F)C(=O)Cc1ccc(N)cc1 225471386 CQBXJKZZJPKBBV-UHFFFAOYSA-N 304.340 3.138 10 40 DGCB C[C@H]1CCCCN1C1=NC(=O)/C(=C\c2ccc(O)cc2)S1 59474372 MVFWIZLYVFVKGD-IWQAVIMZSA-N 302.399 3.237 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(F)c(F)c1 96399818 MSPXAAHPDKYPBC-UKTHLTGXSA-N 308.353 3.421 10 40 DGCB CC1=CN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 20479961 ZXNZNMBCXWERQM-KAHBHVHYSA-N 308.366 3.335 10 40 DGCB C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)C1 85536 DULXBHJAQXWLMK-HOXUKUGESA-N 302.399 3.094 10 40 DGCB O=C1CC[C@@H](C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)N1 6227460 AYBOGPKLLDBJIA-IWKHNONTSA-N 308.341 3.319 10 40 DGCB CC(C)c1nnc(NC(=O)N(C)Cc2ccccc2O)s1 47390703 XECDGWXQZFVPNH-UHFFFAOYSA-N 306.391 3.031 10 40 DGCB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1ccccc1O 100140913 WWKOPNNOUAFWGL-HOCLYGCPSA-N 320.396 3.005 10 40 DGCB COc1ccc(NCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 33882958 ZWNKKJABIQKYEW-UHFFFAOYSA-N 301.346 3.282 10 40 DGCB CC(C)c1ccccc1NS(=O)(=O)c1cccc2nonc12 14255755 ZHGVAYHUQRBBGT-UHFFFAOYSA-N 317.370 3.147 10 40 DGCB CN(Cc1ccccc1O)C(=O)CCc1c[nH]c2ccccc12 42117448 RVSVHAAULJUYIB-UHFFFAOYSA-N 308.381 3.465 10 40 DGCB Cc1cc(C)cc(NC(=S)NNc2nc3ccccc3[nH]2)c1 12564005 VEWOTJQLQJNXOP-UHFFFAOYSA-N 311.414 3.493 10 40 DGCB COC(=O)c1cc([N+](=O)[O-])ccc1/N=N/Nc1ccccc1 17105589 BEEOCWFLRLJNLC-UHFFFAOYSA-N 300.274 3.492 10 40 DGCB C[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc2S1 40146585 GOJILPGCUOYYPJ-KTRBRXNASA-N 311.410 3.407 10 40 DGCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(C)C3=O)c2c1 9419151 OYDKARIDIYZMEC-XGICHPGQSA-N 304.396 3.008 10 40 DGCB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccccn1 409238959 XPWLJHMFLKCFLK-UKTHLTGXSA-N 313.382 3.155 10 40 DGCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1CCc1ccccc1 5374621 IDQLVHMXKPEELS-KAMYIIQDSA-N 314.435 3.459 10 40 DGCB Oc1cc2c(cc1O)[C@@H](c1ccccc1C(F)(F)F)NCC2 19691367 BFYLXAXYRKPZOY-OAHLLOKOSA-N 309.287 3.352 10 40 DGCB O=C1/C(=C/c2ccncc2)SC(=S)N1Nc1ccccc1 8644081 WPEIBXMRVIDMLJ-RAXLEYEMSA-N 313.407 3.310 10 40 DGCB Cc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(C)cc23)cc1 81221 JNGJBWPHVXFTBG-KRWDZBQOSA-N 309.394 3.107 10 40 DGCB Cc1ccccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O 92934 GEYIBBROMSFRDP-XWFJYDPRSA-N 312.398 3.270 10 40 DGCB COc1ccc(OC)c(C2=C/C(=C/c3ccccc3O)C(=O)O2)c1 57755177 NVAJXTUJBDIVFR-LCYFTJDESA-N 324.332 3.391 10 40 DGCB Cc1ccnc(/N=c2\scc(-c3ccc(O)c(O)c3)n2C)c1 101722038 NORDNKWMEQTVKE-VLGSPTGOSA-N 313.382 3.101 10 40 DGCB CCOc1c(/N=N\c2ccccc2C)c(C)nn1C(N)=S 104237557 NUDWMYFPIRPPHP-MSUUIHNZSA-N 303.391 3.406 10 40 DGCB CCOc1c(/N=N/c2ccc(C)cc2)c(C)nn1C(N)=S 18213269 DZGXVJHLJKSEMG-WUKNDPDISA-N 303.391 3.406 10 40 DGCB COc1ccc(CNCc2cc(Cl)ccc2O)cc1OC 20010977 ODXPPYVQWVBBRF-UHFFFAOYSA-N 307.777 3.353 10 40 DGCB COc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1 53158175 JUMGMRXZMLETST-UHFFFAOYSA-N 315.442 3.118 10 40 DGCB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccccc1O 72336906 WWKOPNNOUAFWGL-GOEBONIOSA-N 320.396 3.005 10 40 DGCB O=C1/C(=C/[C@H]2CC=CCC2)SC(=S)N1C[C@H]1CCCO1 4187385 RMUGCXRQFPCRGN-KONFJKIVSA-N 309.456 3.266 10 40 DGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1 409331566 GELDVYJOVGXLAV-WJDWOHSUSA-N 313.397 3.405 10 40 DGCB CN(C)c1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 6831077 SKJMPVFPZUBMIF-UHFFFAOYSA-N 318.804 3.101 10 40 DGCB CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)[nH]n1 42117771 YGVCDVOQTNYIGL-UHFFFAOYSA-N 307.353 3.055 10 40 DGCB Cc1noc(C)c1C(=O)NCc1ccc(N2CCCCC2)cc1 95956214 GOKZNVJHHAKBLI-UHFFFAOYSA-N 313.401 3.212 10 40 DGCB CCOc1ccc2nc(/N=N\C(C(C)=O)C(C)=O)sc2c1 100346027 JFPHQUYDPNVDHM-MSUUIHNZSA-N 305.359 3.325 10 40 DGCB Cc1nc(C)c([C@@H](C)NC(=O)N(C)Cc2ccccc2O)s1 57282992 KJKUQMBZZQBNNA-LLVKDONJSA-N 319.430 3.368 10 40 DGCB Cc1nc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cs1 96663480 KGVWVJYABHYFQX-VZUCSPMQSA-N 319.436 3.252 10 40 DGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(C)c1 14406544 ZNIWTPYVBQKXSV-YBEGLDIGSA-N 313.397 3.324 10 40 DGCB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1cccnc1)CC3 96759285 AZAXHEOFNPRRAM-WQLSENKSSA-N 309.394 3.360 10 40 DGCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)NC2=O)cc1OC 409332371 QWAKNKKAMYYARV-TVNQGELYSA-N 323.439 3.361 10 40 DGCB Oc1ccc(Br)cc1[C@@H]1CC(c2ccco2)=NN1 16789752 RKFUSMFSMSYLMO-JTQLQIEISA-N 307.147 3.186 10 40 DGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(C)cc1 22028119 GULXVTVVWSMVOU-LICLKQGHSA-N 320.348 3.499 10 40 DGCB Cn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccc(O)cc1 101728945 VTMPZYKMSOOPLN-MSUUIHNZSA-N 314.366 3.103 10 40 DGCB CN(C)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 11709920 BYQDEUWTGNAQEO-UHFFFAOYSA-N 320.339 3.284 10 40 DGCB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1O 4942342 RWJJAKFCADMYNQ-QGZVFWFLSA-N 324.380 3.489 10 40 DGCB O=C1/C(=C\c2ccccn2)SC(=S)N1Cc1ccco1 1065235 MGCPUYVEJXVKDV-XYOKQWHBSA-N 302.380 3.076 10 40 DGCB O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1c1nc2ccccc2s1 100934936 VBXGZJXWTFFYCX-CYBMUJFWSA-N 324.317 3.367 10 40 DGCB O=C1/C(=C/c2cccnc2)SC(=S)N1Nc1ccccc1 1245104 FIHKPCNNRDKJOQ-LCYFTJDESA-N 313.407 3.310 10 40 DGCB COC(=O)Cn1c(C)c(/C=C/c2cccc[n+]2C)c2ccccc21 4933028 AHKCYFVVVKBRBO-UHFFFAOYSA-N 321.400 3.118 10 40 DGCB Cc1csc2[n+]1C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)S2 17222293 SJEGRZPVNHDFFB-IZZDOVSWSA-N 305.360 3.039 10 40 DGCB C[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccs1 96011710 BIKDXJOYKLLKRB-GHMZBOCLSA-N 305.399 3.010 10 40 DGCB CCS(=O)(=O)CCCSc1ncc(-c2ccccc2)n1C 96422211 ZBPWETRIKXYIRN-UHFFFAOYSA-N 324.471 3.004 10 40 DGCB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)C(=[N+]=[N-])C[C@@H]12 104384892 QHLVLCORJUGIGW-DRMAHVMPSA-N 310.397 3.401 10 40 DGCB Cn1cccc1/C=C1/SC(=S)N(Nc2ccccc2)C1=O 2401145 WRKONSSYQLLQHH-JLHYYAGUSA-N 315.423 3.253 10 40 DGCB CCOC(=O)c1sc2nc(CC)c3c(c2c1N)CCCC3 405673 LGXHRWZPPQDCKK-UHFFFAOYSA-N 304.415 3.496 10 40 DGCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 1190160 PDOGOEDPPLYLKG-OXBCTQFSSA-N 323.414 3.206 10 40 DGCB COc1cccc([C@@H]2N=C(c3ccccc3)C(C)(C)N2O)c1O 3141981 PWQSPLYMNTXKMT-QGZVFWFLSA-N 312.369 3.372 10 40 DGCB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=O)N=C3O)c[nH]c12 8087985 IAFNHEKKUYSXPY-MDWZMJQESA-N 311.341 3.052 10 40 DGCB COc1ccc([C@H]2CC(c3cc(C)ccc3O)=NN2)c(OC)c1 11867834 QVZIMKQMRDQGLE-OAHLLOKOSA-N 312.369 3.157 10 40 DGCB CCO/C(=C\c1ccc(N(CC)CC)cc1)c1nnc(N)s1 408718438 XYKDJFLXPSVCGF-KAMYIIQDSA-N 318.446 3.501 10 40 DGCB COc1ccc2nc3cc(Cl)ccc3c(NCCN)c2c1 4748021 BBHBBFNAIGRZEZ-UHFFFAOYSA-N 301.777 3.421 10 40 DGCB CN(Cc1ccccc1O)C(=O)NCc1cc2ccccc2o1 79557928 OBWHCXITGRTYNQ-UHFFFAOYSA-N 310.353 3.480 10 40 DGCB O=C(O)C1CCN([C@H](c2ccccc2)c2ccccc2O)CC1 97143822 XNLWPORHWAPVLA-GOSISDBHSA-N 311.381 3.278 10 40 DGCB Cc1cc(C)cc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c1 2172611 REFFJPZEAJQLLE-MOPGFXCFSA-N 313.397 3.206 10 40 DGCB Nc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 22177425 MZBJWDXGVUQJSQ-UHFFFAOYSA-N 305.175 3.213 10 40 DGCB Nc1ccc(CC(=O)N(CCc2cccc(F)c2)C2CC2)cc1 225472794 GAUOELJDDGOXBC-UHFFFAOYSA-N 312.388 3.184 10 40 DGCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1 229846 FLMVHXQAZQHDGM-XNTDXEJSSA-N 324.336 3.069 10 40 DGCB CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc2cccnc2c1O 444544 QESNZRSXQKRWFA-INIZCTEOSA-N 310.328 3.305 10 40 DGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccs1 6202306 UQMBULNRZYZGNF-UVTDQMKNSA-N 317.410 3.363 10 40 DGCB COC(=O)c1c(C)oc2ccc(O)c(CN3CCC[C@H](C)C3)c12 5182564 VFMWMPLQLSVWSN-NSHDSACASA-N 317.385 3.465 10 40 DGCB COc1ccccc1/C=C1/SC(N2CCC[C@@H](C)C2)=NC1=O 13533139 RWWQYNMURUGQMZ-JXCQQFQQSA-N 316.426 3.397 10 40 DGCB Oc1ccc2cc(Br)ccc2c1CN1CCOCC1 25285858 NNWSWCYZKPSEBI-UHFFFAOYSA-N 322.202 3.140 10 40 DGCB Cc1nc2sccn2c1CNCCCSc1nccs1 84044684 OUZKNBDAWHCKBW-UHFFFAOYSA-N 324.500 3.433 10 40 DGCB O=C(O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 575100 HXLYVWDEHNLSIK-OQLLNIDSSA-N 318.332 3.219 10 40 DGCB O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1ccccc1 16975095 LICICFGYOWUDIY-NDUUIVGLSA-N 308.293 3.343 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1cccnc1 100422834 MTWXOCJSVBQRMV-ATVHPVEESA-N 324.359 3.007 10 40 DGCB COc1cc(/C=C2\SC(S)=NC2=O)ccc1OC(F)F 2536784 BWLDWQQAEBGIBJ-UITAMQMPSA-N 317.338 3.197 10 40 DGCB CCOC(=O)c1ccoc1CN1CCCc2cc(OC)ccc21 22747569 QQRHIXFZBZMWJY-UHFFFAOYSA-N 315.369 3.418 10 40 DGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(F)cc1 16160912 SMWDLGHUNLSHGG-YBEGLDIGSA-N 324.311 3.330 10 40 DGCB CCn1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 41078279 BKCZKTDDJYBODV-IBEXDWOESA-N 320.352 3.112 10 40 DGCB Cc1ccc2c(c1C)NC(=O)[C@@]21NN=C(c2ccccc2)S1 342228 PEVGVQUYBNMZTF-QGZVFWFLSA-N 309.394 3.107 10 40 DGCB biogenic NS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(Cl)c2)cc1 4603519 CNOMOEITTQLGJX-FOCLMDBBSA-N 311.750 3.108 10 40 DGCB Cc1cccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)c1 4692994 LOFXKKHDHNZXJF-ATVHPVEESA-N 306.365 3.406 10 40 DGCB CN(C)c1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1 15580737 SKVPKVVEXLYAOR-UHFFFAOYSA-N 323.440 3.169 10 40 DGCB O=C1N=C(NC2CCCC2)S/C1=C\c1ccc(F)cc1F 43080422 NECNMWKFGNKRQX-QPEQYQDCSA-N 308.353 3.467 10 40 DGCB CCOCCCC(=O)NCc1ccc(N2CCCCC2)cc1 58413596 KWZTWZOZKKXYJH-UHFFFAOYSA-N 304.434 3.110 10 40 DGCB O=C1/C(=C/N2CCCCC2)SC(=S)N1c1ccccc1 59397196 WWCQHHLXEXAKSP-QBFSEMIESA-N 304.440 3.379 10 40 DGCB COC(=O)c1sc2nc(Cc3ccccc3)nc(C)c2c1O 12323348 HFVXFBIIGUTTCJ-UHFFFAOYSA-N 314.366 3.083 10 40 DGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc3c4c(cccc24)CC3)S1 408766929 XCWHWPYMRUNITM-DHDCSXOGSA-N 322.389 3.045 10 40 DGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1 16694612 JZHMNEGCPJKWHA-LFIBNONCSA-N 307.309 3.401 10 40 DGCB CN(Cc1ccccc1O)C(=O)CCn1ccc2ccccc21 53915130 SAUICDUNDWAZSL-UHFFFAOYSA-N 308.381 3.396 10 40 DGCB COc1cc2c(cc1NCC(=O)NC1CC1)oc1ccccc12 9364539 HIONRTLQSZCQMD-UHFFFAOYSA-N 310.353 3.285 10 40 DGCB COc1cccc(/C=C2\C=C(c3cccs3)OC2=O)c1O 409052478 TZYUIORCCVZWNB-DHZHZOJOSA-N 300.335 3.444 10 40 DGCB Cc1ccccc1-n1c(C)cc(C(=O)Nc2c[nH]ccc2=O)c1C 61621297 GVXAPXFXWYBMIG-UHFFFAOYSA-N 321.380 3.343 10 40 DGCB CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 4675718 IVEPCZFHKKVRGW-NTEUORMPSA-N 320.389 3.482 10 40 DGCB O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(F)cc1 79270679 NQDREUGNHSBEOZ-UHFFFAOYSA-N 324.358 3.343 10 40 DGCB CC(=O)[C@H](/N=N/c1ccccc1)S(=O)(=O)c1ccccc1 104375119 DZEWBOZLQJLYJP-XNSRXUQDSA-N 302.355 3.159 10 40 DGCB NC(=O)[C@H]1CCCCN1Cc1cc(Cl)c2ccccc2c1O 7988099 CEPJMRXEBLDLBC-OAHLLOKOSA-N 318.804 3.039 10 40 DGCB O=C1NC(=S)S/C1=C\c1csc(-c2ccccc2)n1 9602319 YQWJIZLABBVFMF-POHAHGRESA-N 304.421 3.299 10 40 DGCB CCCc1nnc(S)n1NCc1ccc(N(CC)CC)cc1 7365386 FEFRRBVFAWDHPS-UHFFFAOYSA-N 319.478 3.109 10 40 DGCB COCc1noc(-c2ccc(OC)c(-n3c(C)ccc3C)c2)n1 97230515 AHYHXQRIUDSJOS-UHFFFAOYSA-N 313.357 3.299 10 40 DGCB COc1ccc2c(C3C(=O)c4ccccc4C3=O)nccc2c1 100643654 VCLWTYHCJFUKPE-UHFFFAOYSA-N 303.317 3.406 10 40 DGCB CCN1C(=O)/C(=C(C)/C=C2/SCCN2CC)SC1=S 102094553 OSLSLOGUEYOZSX-GOOGBFEESA-N 314.501 3.051 10 40 DGCB Cc1[nH]c2ccccc2c1C=C1C(=O)OC2(CCCC2)OC1=O 87831 ORVPBWQAQBCURB-UHFFFAOYSA-N 311.337 3.230 10 40 DGCB CN(Cc1c[nH]nc1C(C)(C)C)c1ccc2c(c1)OCCO2 12147132 ZFOITHMTJSCOFB-UHFFFAOYSA-N 301.390 3.115 10 40 DGCB O=C(c1ccccc1)[C@H]1SC(=S)N(c2ccccc2)C1=O 3843300 GWFLQAMVJPUPNO-CQSZACIVSA-N 313.403 3.303 10 40 DGCB biogenic CCc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1 9189301 PKDQRTDIVUJFTQ-KAMYIIQDSA-N 321.467 3.487 10 40 DGCB O=C1N=C(NC2CCCC2)S/C1=C\c1cccc2cn[nH]c12 96297576 SSQSQGMIUKWXHS-JYRVWZFOSA-N 312.398 3.065 10 40 DGCB COCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 12417909 WOKYEAQTOMJICJ-MWEMGACCSA-N 319.451 3.481 10 40 DGCB CCOc1c(/N=N\c2ccccc2OC)c(C)nn1C(N)=S 17141903 WTQVDPLSIJLXIR-MSUUIHNZSA-N 319.390 3.106 10 40 DGCB Cc1nn(-c2ccc(CN(C)C)c(O)c2)nc1-c1ccccc1 255189427 PVJSSMBDSPQRAO-UHFFFAOYSA-N 308.385 3.010 10 40 DGCB CCOc1ccc2cc3c(N)c(C(=O)OC)sc3nc2c1 891641 MBXHASFORBOGMJ-UHFFFAOYSA-N 302.355 3.217 10 40 DGCB CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 1065690 QLUTUVWHSRJHAQ-JYRVWZFOSA-N 302.424 3.399 10 40 DGCB COc1ccc(N(C)Cc2nnc(C(C)(C)C)o2)cc1OC 64517725 YSXUNGNKJIYBPB-UHFFFAOYSA-N 305.378 3.021 10 40 DGCB CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccc2O)n1 72322172 QOHRZRQLXXHFGV-AWEZNQCLSA-N 316.401 3.251 10 40 DGCB biogenic,in-vitro CCc1ccc2c(c1)[C@]1(NN=C(c3ccc(C)cc3)S1)C(=O)N2 133912 KZYQYZPANJVPPY-GOSISDBHSA-N 323.421 3.361 10 40 DGCB Cc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 1220875 BZSZTZKQUOLFPJ-GFAPJHNFSA-N 319.451 3.375 10 40 DGCB Cc1ccc(-c2c(C)[n+]([O-])c(-c3ccc(N(C)C)cc3)n2O)cc1 5394400 AFWJCAZLANCTHE-UHFFFAOYSA-N 323.396 3.376 10 40 DGCB COc1ccc2c(c1)CCCN2Cc1ccc2c(c1)OCCO2 48331690 QBVZYHUHNAMNAS-UHFFFAOYSA-N 311.381 3.419 10 40 DGCB CCCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)SC1=S 4866406 XKNJFSVIVLKDEB-RAXLEYEMSA-N 320.439 3.151 10 40 DGCB COC(=O)c1c(C)oc2ccc(O)c(CN3CCC(C)CC3)c12 5010549 KIEHUCJAALZXKW-UHFFFAOYSA-N 317.385 3.465 10 40 DGCB CCOc1cccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1O 27216506 GONSAUJBECFLNE-HNNXBMFYSA-N 318.760 3.298 10 40 DGCB CN(c1ccc(CNC(=O)c2cnccn2)cc1)C1CCCCC1 67299688 SPKGIHAWJCUHDG-UHFFFAOYSA-N 324.428 3.176 10 40 DGCB Cc1cc(CNC(=O)c2c(C)n[nH]c2C(C)C)ccc1N(C)C 153737131 AJZKICKZDZUYLP-UHFFFAOYSA-N 314.433 3.146 10 40 DGCB CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)SC1=S 409004456 BERJEOSVOLMFLT-WQLSENKSSA-N 323.439 3.233 10 40 DGCB Cc1cc(C(=O)C(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1 3131355 CDTMGCMXWSLVGB-UHFFFAOYSA-N 304.777 3.018 10 40 DGCB CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccccc1)O2 5908364 DGIUXQKRNRYSEY-AXYPVASZSA-N 320.352 3.051 10 40 DGCB O=C1O/C(=C2\C=C(c3ccccc3)OC2=O)C=C1c1ccccc1 16890099 IOQSLFCWWXRNAB-FBMGVBCBSA-N 316.312 3.479 10 40 DGCB CC1=NC(=O)[C@H](/N=N/c2ccccc2C(=O)O)N1c1ccccc1 17414068 HJTDGVIUYDRAOX-FZFLATATSA-N 322.324 3.260 10 40 DGCB CC[C@@H](NCc1cccnc1-n1ccnc1)c1ccccc1O 155085866 FRMSPYDSCMBARX-MRXNPFEDSA-N 308.385 3.214 10 40 DGCB CCC[C@@H]1Cc2nc3sc(C(=O)OCC)c(N)c3cc2CO1 5324881 CTOHTVYOJKTIIF-SNVBAGLBSA-N 320.414 3.297 10 40 DGCB CC(C)(C)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375049 NOSHZQAZBQBRRL-WQLSENKSSA-N 305.424 3.499 10 40 DGCB COCCCNC(=O)Nc1c(C)cc(Br)cc1C 48466607 PHLSYEVGOMVCLU-UHFFFAOYSA-N 315.211 3.224 10 40 DGCB CCN1C(=O)[C@](N=[N+]=[N-])(c2ccccc2)C(=O)c2ccccc21 73257654 PEWYDORJMJTUMM-KRWDZBQOSA-N 306.325 3.442 10 40 DGCB CCOc1cccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1O 27216510 GONSAUJBECFLNE-OAHLLOKOSA-N 318.760 3.298 10 40 DGCB CCN1C(=O)/C(=C\C=C\N(C)c2ccccc2)SC1=S 17109157 TUDYVCILAXJZPH-JPTKLRQTSA-N 304.440 3.401 10 40 DGCB O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccccc1 57690176 MKUQGVJXPIMDIW-UHFFFAOYSA-N 317.395 3.006 10 40 DGCB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccc(N)cc1 95971712 PZTQNYRJXRNMNF-GOSISDBHSA-N 323.440 3.069 10 40 DGCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccn1 223949070 WNTDJZFJJRZAEU-UHFFFAOYSA-N 312.442 3.168 10 40 DGCB CCCCC1(C)OC(=O)C(=Cc2ccc(OC)cc2)C(=O)O1 2121174 DEDFHACCNCSYHW-UHFFFAOYSA-N 304.342 3.085 10 40 DGCB CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 19861631 CMNVZLDYXCOALW-UHFFFAOYSA-N 311.337 3.353 10 40 DGCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 32189109 DIKCBTRUNPSVLF-YVLHZVERSA-N 323.396 3.398 10 40 DGCB OCc1ccccc1CNCc1cc(Cl)cc(Cl)c1O 71792555 ASODOLKFIBRHJU-UHFFFAOYSA-N 312.196 3.481 10 40 DGCB CN1C(=O)/C(=C/c2ccccc2Br)SC1=S 5557838 HZGQICJUZSXFGD-TWGQIWQCSA-N 314.229 3.280 10 40 DGCB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1 2087104640 MQIKAVAVNZTRCD-JTQLQIEISA-N 309.167 3.108 10 40 DGCB C[C@H](C[C@@H](O)c1cccs1)NCc1ccc2c(c1)CCO2 95448906 MRAGPKXNZNDYIU-IUODEOHRSA-N 303.427 3.285 10 40 DGCB Cc1cc(C)n2nc(N)c(/N=N/c3ccc([N+](=O)[O-])cc3)c2n1 6189307 HZNIVRQPCIFDIC-ISLYRVAYSA-N 311.305 3.252 10 40 DGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1c[nH]c2ccccc12 284552 UXBWSOROWDSEPC-UHFFFAOYSA-N 311.337 3.312 10 40 DGCB CCc1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 58314386 KRSSENXMBYCNJF-UHFFFAOYSA-N 314.433 3.254 10 40 DGCB Nc1ccc(OCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 62719577 MCTZAKSSIZTMAW-UHFFFAOYSA-N 300.749 3.286 10 40 DGCB CN(C)c1ccc(/C=C/c2nc3ccccc3n(C)c2=O)cc1 4193674 YQXFNNISTARKCX-JLHYYAGUSA-N 305.381 3.170 10 40 DGCB Cc1ccc(C)c(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c1 100621952 GFCDDMGBIWLLGB-RTBURBONSA-N 313.397 3.206 10 40 DGCB C[C@@H]1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2S1 24585405 BMGZSTHTGOZGAB-SBDDDAINSA-N 313.426 3.351 10 40 DGCB Cc1ccc(/N=c2\scc(-c3ccc(O)c(O)c3)n2C)nc1 101715296 MLWUXDXROFETEU-VLGSPTGOSA-N 313.382 3.101 10 40 DGCB CCN1C(=O)/C(=C2\C=Cc3cc(C)ccc3N2CC)OC1=S 179406 QJWXYJVEEPDIHI-PFONDFGASA-N 314.410 3.223 10 40 DGCB O=C1c2ccccc2C(=O)C1c1ccc(N2CCSCC2)cc1 103552034 YUHXSEXCBMIITN-UHFFFAOYSA-N 323.417 3.403 10 40 DGCB CN(CCNC(=S)Nc1cccc(F)c1)c1ccccc1 225570875 NUIPHXRVZNOXAP-UHFFFAOYSA-N 303.406 3.249 10 40 DGCB CCN(CC)C(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O 4523778 FRWKTARFEVOXDQ-UHFFFAOYSA-N 323.348 3.303 10 40 DGCB O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCOc3ccccc32)c1 71792582 HPWUIYANGYRIOO-OAHLLOKOSA-N 314.341 3.304 10 40 DGCB Oc1ccc2ccccc2c1[C@@H](c1cccnc1)N1CCOCC1 25702033 QYGOXPAMLAJPAB-HXUWFJFHSA-N 320.392 3.362 10 40 DGCB Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1ccc(C(C)C)cc1 97204436 YFAYXLOOEFFSHH-CYBMUJFWSA-N 314.429 3.328 10 40 DGCB O=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1O)N[C@@H]2c1ccccc1O 108511455 VPRRXGCLWRHPQO-STEAMIEHSA-N 323.392 3.469 10 40 DGCB COc1cc(N(C)Cc2ccncc2Cl)cc(OC)c1OC 75767495 IKIVQWFLRMULIO-UHFFFAOYSA-N 322.792 3.397 10 40 DGCB Cc1cc(/C=C2\NC(O)=NC2=O)c(C)n1-c1cccc(Cl)c1 13801717 IOOVPPWESCVTJM-AUWJEWJLSA-N 315.760 3.132 10 40 DGCB CCOc1nc(N)nc(C)c1/N=N\c1cccc([N+](=O)[O-])c1 104237233 PGKBHEIYNCXTTR-ZCXUNETKSA-N 302.294 3.090 10 40 DGCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OC(C)C 14190782 GKRUODFFBKZEPT-WQLSENKSSA-N 323.439 3.313 10 40 DGCB COc1cccc(-c2cnc(NCc3ccccc3O)n2C)c1 4678496 LMNSMCZKQDLVET-UHFFFAOYSA-N 309.369 3.413 10 40 DGCB Cc1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 3532602 HPVZWVXLAUKQBS-XFXZXTDPSA-N 321.423 3.061 10 40 DGCB CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1 84426 WGWSSESAEJNPDP-JXAWBTAJSA-N 319.408 3.450 10 40 DGCB O=C1c2cc(Cl)c(Cl)cc2C(=O)c2c(O)ccc(O)c21 4529283 GWFVWUQOSJGENT-UHFFFAOYSA-N 309.104 3.180 10 40 DGCB Cc1cccc(NC2=NC(=O)/C(=C/c3c(C)n[nH]c3C)S2)c1 40114070 SVCVMRONXMVDLM-ZSOIEALJSA-N 312.398 3.417 10 40 DGCB C[C@@H](CN1CCCC1=O)NCc1cc(-c2ccccc2)ccc1O 71792546 FZGJTGUYLPKELE-HNNXBMFYSA-N 324.424 3.160 10 40 DGCB COc1ccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)cc1 28605527 NTLSOSJWRSFUPW-NTEUORMPSA-N 311.366 3.173 10 40 DGCB CCOC(=O)[C@]1(c2ccccc2)NN=C(c2ccccc2)S1 38248053 YOIACLKOFBAIFT-QGZVFWFLSA-N 312.394 3.101 10 40 DGCB CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 95554917 XYSMNZWLVJYABK-GOSISDBHSA-N 319.364 3.020 10 40 DGCB O=C1/C(=C/c2ccco2)C(O)=NC(=S)N1c1ccccc1F 1266106 RJAGHGTWLAORIL-CSKARUKUSA-N 316.313 3.090 10 40 DGCB Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1cccc(C(C)C)c1 97478139 NOZUYYDZXHMHHA-CYBMUJFWSA-N 314.429 3.328 10 40 DGCB COc1ccc2c(/C=C3/SC(=S)N(C)C3=O)c[nH]c2c1 9420487 QWVIAIPIMRUCKV-LFYBBSHMSA-N 304.396 3.008 10 40 DGCB COCc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 71919637 ZXNATYLILMSCCF-UHFFFAOYSA-N 312.413 3.282 10 40 DGCB Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1O 84028744 IUQAJWWABJLNLA-UHFFFAOYSA-N 310.275 3.044 10 40 DGCB CC[N+](=Nn1c(C)nc2ccccc2c1=O)Nc1ccc(C)cc1 408720229 JRGZSJLWTKOURC-UHFFFAOYSA-N 322.392 3.288 10 40 DGCB O=[N+]([O-])c1ccc(O)c(CNCc2ccccc2OC(F)F)c1 58441095 VIIMPKNYZISIGZ-UHFFFAOYSA-N 324.283 3.192 10 40 DGCB CN(C)c1ccc(CNCc2cnn(-c3ccccc3)c2)cc1 15185204 XUFXPGRELYWGDA-UHFFFAOYSA-N 306.413 3.228 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1O 100148669 LIFPSULRQAWLDN-GXDHUFHOSA-N 311.316 3.250 10 40 DGCB CC(C)(C)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 35038848 WUYLRLBSDYMRCX-YRNVUSSQSA-N 309.412 3.098 10 40 DGCB CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S 5863293 DMSTZVRGVIAVFC-UKTHLTGXSA-N 323.439 3.402 10 40 DGCB Oc1c([C@H](c2ccccc2)N2CCOCC2)ccc2cccnc12 19680925 QEEPFVBIIRLELX-IBGZPJMESA-N 320.392 3.362 10 40 DGCB COc1ccc2nc(/C=C3\SC(=S)N(C)C3=O)ccc2c1 51330841 LEIKFMPPPCYDFH-JYRVWZFOSA-N 316.407 3.074 10 40 DGCB CN(Cc1ccccc1O)C(=O)Nc1ccc2oc(=O)ccc2c1 65620834 RWKIBLWBDADNDD-UHFFFAOYSA-N 324.336 3.163 10 40 DGCB COc1cccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c1O 69568221 XYQQMRWQOJSZIS-AWEZNQCLSA-N 323.396 3.437 10 40 DGCB CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C 6977557 IURGYTDVAOBMBE-UHFFFAOYSA-N 303.333 3.287 10 40 DGCB COc1ccc(CNCc2cc(Br)ccc2O)cc1 40477063 AKRWXUKAMBVYDX-UHFFFAOYSA-N 322.202 3.453 10 40 DGCB Cc1nnc(SCC(=O)c2sc3ccccc3c2O)n1C 9145159 ZOEDJMGJUIUFED-UHFFFAOYSA-N 319.411 3.019 10 40 DGCB CC(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48345828 HHBSWSQJMPNCCJ-ZIAGYGMSSA-N 322.424 3.102 10 40 DGCB COc1ccccc1N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374635 WXZGKJWYRJRGSJ-LCYFTJDESA-N 316.407 3.429 10 40 DGCB O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1 33930957 XHXNAYCSDZSDIZ-ZROIWOOFSA-N 313.334 3.339 10 40 DGCB COc1ccc(N2CCC(NCc3cccc(O)c3)CC2)cc1 96403170 NTGGRWRRQIWBFH-UHFFFAOYSA-N 312.413 3.159 10 40 DGCB CC1=CC2=NC(=O)/C(=C/c3c(C)[nH]c4ccc(C)cc34)C(=N)N2O1 13638125 FVSDJTXCXJYFEL-HZNLLIATSA-N 320.352 3.235 10 40 DGCB CN(c1ccc(CNC(=O)[C@@H]2CCCO2)cc1)C1CCCCC1 83868070 ARCIQGJIATZIDM-SFHVURJKSA-N 316.445 3.251 10 40 DGCB CCN(CC)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 36022421 LHNGHIXEZZNVSD-UHFFFAOYSA-N 313.445 3.166 10 40 DGCB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(C)c3C)C2=O)c1 409235119 YQDMUOYMMDOHOD-LICLKQGHSA-N 323.396 3.043 10 40 DGCB COC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 70462704 XKDVVQJRMGATFR-WUKNDPDISA-N 300.270 3.292 10 40 DGCB COc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1 5322970 ZLKGXALCMPDTPD-GQVHDAKQSA-N 316.426 3.397 10 40 DGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccs1 13536662 GBSRNZVSDLIHPD-ZROIWOOFSA-N 319.426 3.467 10 40 DGCB COc1ccc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1 8171311 KGJRTGCPEWEFRG-UHFFFAOYSA-N 318.804 3.345 10 40 DGCB CCN1/C(=C2/SC(=S)NC2=O)C=Cc2cc(C)ccc21 100554619 UQVALSXBSNEWNM-OUKQBFOZSA-N 302.424 3.208 10 40 DGCB COc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1OC 54176309 OILPWNLWYOXGHS-CYBMUJFWSA-N 313.397 3.490 10 40 DGCB CC(=O)[C@H]1CCc2cc3c(cc2C1)C(=O)c1ccccc1C3=O 5229156 UEWQRZHIWMPQGQ-LBPRGKRZSA-N 304.345 3.156 10 40 DGCB Cc1cc(C)n2nc(N)c(/N=N/c3ccc4c(c3)OCO4)c2n1 13116639 IQBWWAVTIRXBLZ-VHEBQXMUSA-N 310.317 3.072 10 40 DGCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccn2)SC1=S 409203590 YASUJFROPYKPPL-LCYFTJDESA-N 315.423 3.037 10 40 DGCB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(N)cc1 36075398 ZBHPUQXSHBKZJM-OAHLLOKOSA-N 305.422 3.470 10 40 DGCB in-vitro O=C(O)c1ccc(NCc2cccc(Br)c2O)cc1 48795497 VCQYDLJYRRJXIA-UHFFFAOYSA-N 322.158 3.465 10 40 DGCB in-vitro O=C1c2c(O)ccc(Cl)c2C(=O)c2c(O)ccc(Cl)c21 4748496 MVTQMYUSTKVGRP-UHFFFAOYSA-N 309.104 3.180 10 40 DGCB CCN1C(=O)/C(=C\c2ccc(SC)cc2)C(C(=O)OC)=C1C 408893294 LXXGKPDLKDJGQI-UVTDQMKNSA-N 317.410 3.101 10 40 DGCB CC(=O)N[C@H](c1ccc(F)cc1)c1ccc2cccnc2c1O 444545 QESNZRSXQKRWFA-MRXNPFEDSA-N 310.328 3.305 10 40 DGCB C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 25364303 BPAURIITMIEPMK-HNNXBMFYSA-N 321.428 3.184 10 40 DGCB COc1cc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)ccc1O 95946437 MAIFITGGNQYXTH-ZDUSSCGKSA-N 316.382 3.160 10 40 DGCB CN(C)c1ccc(/C=C/C2=NC(=O)N[C@@H](C(F)(F)F)C2)cc1 5333938 MCTPGXXTYUSHQW-VUUYWXRKSA-N 311.307 3.251 10 40 DGCB CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O 155495659 JNMNRALPBZSPLT-AAEUAGOBSA-N 302.340 3.070 10 40 DGCB CCc1ccc2c(c1)[C@@]1(NN=C(c3ccc(C)cc3)S1)C(=O)N2 133915 KZYQYZPANJVPPY-SFHVURJKSA-N 323.421 3.361 10 40 DGCB O=C(Nc1ccccc1)c1ccc(Sc2nccs2)nn1 74282678 OIIJERNMUKQNKC-UHFFFAOYSA-N 314.395 3.337 10 40 DGCB CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 74889039 QJWMCTUSSVRBEW-UONOGXRCSA-N 308.447 3.208 10 40 DGCB COC(=O)c1ccccc1/N=N\Nc1ccc([N+](=O)[O-])cc1 16927340 VJUYEBQVWLKJCG-UHFFFAOYSA-N 300.274 3.492 10 40 DGCB COc1ccc(-c2ccc3c(N)c(C(=O)O)sc3n2)cc1 24983993 ILZCYNVTSDEOKX-UHFFFAOYSA-N 300.339 3.252 10 40 DGCB COc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 19799027 BINKAUVDFGACPZ-JYRVWZFOSA-N 317.391 3.444 10 40 DGCB CCN1C(=O)/C(=C/NCc2ccccc2Cl)SC1=S 5967882 SLPNBABXOQJPCP-FLIBITNWSA-N 312.847 3.151 10 40 DGCB COc1ccc(CNCc2cc(Cl)ccc2O)c(OC)c1 40477035 XZPZVSBAAVVECU-UHFFFAOYSA-N 307.777 3.353 10 40 DGCB Cc1cc(C)c(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c(C)c1 475990 KRIZXBAQWIVUNA-SXGWCWSVSA-N 323.396 3.200 10 40 DGCB CCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 9188415 NGAKFMLRKCYGLJ-LCYFTJDESA-N 323.439 3.315 10 40 DGCB CCCCN1C(=O)/C(=C/C=C2/SCCN2C)SC1=S 15937647 LKHOSQNUTJPPBI-JZKFVHIFSA-N 314.501 3.051 10 40 DGCB COc1ccc(C)cc1/C=C1\SC(N2CCCCC2)=NC1=O 57878800 DGLIPNUHWZIAEZ-PTNGSMBKSA-N 316.426 3.460 10 40 DGCB COC(=O)c1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1 100280189 HZGDJFHCOVFXCI-LFIBNONCSA-N 306.317 3.455 10 40 DGCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885991 NSWZPCWBRBQBIL-GOSISDBHSA-N 307.397 3.482 10 40 DGCB CC1(C)OC(=O)C(/N=N\c2ccc(Cl)c(Cl)c2)C(=O)O1 100938218 GVWGTZFUGNEEBK-NXVVXOECSA-N 317.128 3.282 10 40 DGCB COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)NCC2 128191 NCRQQAJAESRBPY-LJQANCHMSA-N 312.413 3.005 10 40 DGCB biogenic,in-vitro COc1ccc(N2N=C(C)/C(=C(\C)NC(C)(C)C)C2=O)cc1 112107397 VAPLADCTUHCAOY-PTNGSMBKSA-N 301.390 3.080 10 40 DGCB O=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccccc1 13284094 DXMWQZVXILYEDI-ZROIWOOFSA-N 312.419 3.483 10 40 DGCB Oc1cc(O)c(CN2CCCCC2)cc1CN1CCCCC1 1701305 QMPPIHGUQGYOHK-UHFFFAOYSA-N 304.434 3.070 10 40 DGCB COc1ccc2nc(/C=C3/SC(=S)N(C)C3=O)ccc2c1 9419992 LEIKFMPPPCYDFH-MDWZMJQESA-N 316.407 3.074 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)NCCCn2ccnc2)cc1 3453591 UHXCCDGHQKUEBE-UHFFFAOYSA-N 322.412 3.111 10 40 DGCB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccnc1 4117472 KCMDCTVPBIDKAE-WAEYIKQSSA-N 319.408 3.109 10 40 DGCB COc1ccc(N2CCC(NC(=O)c3ccccc3)CC2)cc1 71924430 KEUBJVMEHFNOIU-UHFFFAOYSA-N 310.397 3.094 10 40 DGCB CCOC(=O)[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]12 4003781 HNUOXQDRHLEXMA-UHIISALHSA-N 322.202 3.466 10 40 DGCB CN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2)c2ccccc21 14245193 PRBIFNMFJBGFFQ-WQRHYEAKSA-N 315.376 3.448 10 40 DGCB Cc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1C 3620098 WFXBYFMGOOYOAL-UHFFFAOYSA-N 319.411 3.109 10 40 DGCB Cn1c(-c2ccccc2)cnc1SCC(=O)NC(C)(C)C 5175028 XIDCJTIMIKOZIW-UHFFFAOYSA-N 303.431 3.094 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCOC(C)C 103916161 WXJDHQFLNYEPLY-VKAVYKQESA-N 315.417 3.088 10 40 DGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(F)cc1 58883690 JNTAHXGFMYGHHA-DHDCSXOGSA-N 317.360 3.154 10 40 DGCB COc1cc(N(C)CCc2scnc2C)cc(OC)c1OC 78876539 HQHNCDXVZYSDEM-UHFFFAOYSA-N 322.430 3.156 10 40 DGCB CCN(CC)c1ccc(/C=C2\SC(=O)N(C)C2=O)c(OC)c1 408822798 MDWKPODMEWUKPE-ZROIWOOFSA-N 320.414 3.208 10 40 DGCB C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cccc(O)c3)S2)C1 550429 JMNDQHVRZLWUJG-RLIURORJSA-N 302.399 3.094 10 40 DGCB CCCc1nnc([C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)o1 49170293 SBEOQZXMAKKCAP-HNNXBMFYSA-N 314.433 3.078 10 40 DGCB biogenic,in-vitro C/C(=C1\SC(=S)NC1=O)c1ccc(Br)cc1 3023764 OBRPCNBOXUKRNG-RMKNXTFCSA-N 314.229 3.328 10 40 DGCB COc1ccc(N(C)CCNC(=O)c2cc(C)ccc2C)cc1 225053929 FBOOSSCODHPADM-UHFFFAOYSA-N 312.413 3.178 10 40 DGCB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cccn3C)C2=O)c1C 313566 AQMAOYRSEDUWED-GXDHUFHOSA-N 323.352 3.149 10 40 DGCB CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 2602866 VDXRBMQGNOBXBK-WWGRRREGSA-N 315.369 3.182 10 40 DGCB O=C(/C=C/c1cccnc1)NCc1ccc(N2CCCC2)cc1 28333682 PENQWSAIGXAAQW-JXMROGBWSA-N 307.397 3.011 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 100927417 XJUFJVQNPISTMC-WJDWOHSUSA-N 321.336 3.103 10 40 DGCB CC(C)(C)n1cc(C(=O)NCCCSc2nccs2)cn1 79310584 HQGBQWCBXSIODZ-UHFFFAOYSA-N 324.475 3.007 10 40 DGCB [N-]=[N+]=N[C@]1(c2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O 73275079 ASMZQCLUQZYHPS-GOSISDBHSA-N 318.336 3.368 10 40 DGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CC1 112107381 TTZCRYBXMPXHHW-WJDWOHSUSA-N 301.365 3.354 10 40 DGCB Cn1c(-c2ccccc2)cnc1SCc1cc(=O)c(O)co1 78929810 RCKYDEFTCAMSNA-UHFFFAOYSA-N 314.366 3.038 10 40 DGCB CCc1ccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)cc1 409055804 FARLRADNFDMRPF-WJDWOHSUSA-N 313.397 3.330 10 40 DGCB O=C(Cc1ccc(O)cc1)NCc1ccc(N2CCCCC2)cc1 521355654 FTABPYUVSZFQRV-UHFFFAOYSA-N 324.424 3.241 10 40 DGCB CN(Cc1ccccc1O)C(=O)Nc1cnn(-c2ccccc2)c1 76020610 OHXNDHBOSLPFTD-UHFFFAOYSA-N 322.368 3.242 10 40 DGCB COc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 5322967 ZLKGXALCMPDTPD-DYTQJMLRSA-N 316.426 3.397 10 40 DGCB CN1C(=O)N=C(O)/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 6638271 AKCHFOGVWSRYOF-PTNGSMBKSA-N 322.320 3.411 10 40 DGCB CC[N+](=NN1C(=O)c2ccccc2C1=O)Nc1ccc(C)cc1 408720717 XOPWSBXGFCICTA-UHFFFAOYSA-N 309.349 3.018 10 40 DGCB CN(Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OCO2 8132223 VOPOXAUFCHDYOB-UHFFFAOYSA-N 305.761 3.406 10 40 DGCB CN(C)c1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 359813 JGRVCSTYUKBGCX-MHWRWJLKSA-N 310.328 3.236 10 40 DGCB CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4139588 OGONIROXPIPVDK-DVOMOZLQSA-N 315.369 3.038 10 40 DGCB CCC1=NN2C(=N)/C(=C/c3cccc(Cl)c3)C(=O)N=C2S1 4508610 QBJBIODOCLORCI-VKYSFVOOSA-N 318.789 3.369 10 40 DGCB C/C(=C1\SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O)c1ccccc1 12417972 NWIBIQZUFDWWQW-JMCNQOKGSA-N 316.426 3.156 10 40 DGCB C[C@@H]1CN(Cc2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 21673359 PCCVHSWUQGFJHE-GHMZBOCLSA-N 306.793 3.203 10 40 DGCB CCCC1=NN2C(=N)/C(=C/c3ccc(F)cc3)C(=O)N=C2S1 382955 GASKGHYUATVRPY-ZWGDPFMXSA-N 316.361 3.245 10 40 DGCB COc1ccc(N2N=C(C)/C(=C(\C)NC3CCCC3)C2=O)cc1 112108917 UMKWKUYVXMPUAM-ATVHPVEESA-N 313.401 3.224 10 40 DGCB CCCN1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 409334996 YGFLMXHSQGDLAJ-XFXZXTDPSA-N 323.439 3.315 10 40 DGCB Nc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 19398110 CKMASRZESPBLLG-UHFFFAOYSA-N 321.174 3.049 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 100147843 GQUCKBVYFBHTBT-NTEUORMPSA-N 323.308 3.107 10 40 DGCB COc1cc(CN[C@@H]2CCN(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 585093616 NRGIZYSLKGNLLS-DZGCQCFKSA-N 320.477 3.271 10 40 DGCB CC(C)CN1C(=O)/C(=C\Nc2cccc(O)c2)SC1=S 8993489 MUIWAPYOSOYQGK-KPKJPENVSA-N 308.428 3.162 10 40 DGCB CN(C)c1ccc(/C=C(\C(N)=O)c2nc3ccccc3s2)cc1 3849079 MEYAXXGRXLKXGZ-SDNWHVSQSA-N 323.421 3.388 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 18212571 WSSVPJZHZCPDFV-GDNBJRDFSA-N 321.336 3.134 10 40 DGCB O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCSCC1 30836022 XESYBVIFQWJDAD-UHFFFAOYSA-N 323.417 3.010 10 40 DGCB O=C1N=C(O)/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N1 5025749 FWKDJZICUNRHMG-UHFFFAOYSA-N 320.370 3.294 10 40 DGCB CCOc1c(/N=N/c2ccc(OC)cc2)c(C)nn1C(N)=S 18062347 FPBSMRWTNTUQQT-WUKNDPDISA-N 319.390 3.106 10 40 DGCB CCCCN1C(=O)/C(=C/C=C/c2ccco2)C(O)=NC1=S 2313940 SULBKQYHOFOKGZ-RZYXTZOYSA-N 304.371 3.103 10 40 DGCB CC1=NN(c2cccc(F)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 104254665 GQOUHSFASJQNOH-VIZOYTHASA-N 324.311 3.361 10 40 DGCB COc1ccc(-c2cnc(NCc3ccccc3O)n2C)cc1 4678667 LQTVVCHQBMTHRM-UHFFFAOYSA-N 309.369 3.413 10 40 DGCB COc1ccc(N2CCC(NCc3ccc(C)o3)CC2)cc1 71924589 NQHSGFXOBSKCMC-UHFFFAOYSA-N 300.402 3.355 10 40 DGCB COc1ccc2c(c1)CCCN2CCC(=O)Nc1ccccc1 22200173 YHMLNHGWFATKTF-UHFFFAOYSA-N 310.397 3.477 10 40 DGCB CN1CCN(C(=S)c2ccc(-c3ccc(F)cc3)o2)CC1 5576090 IXXNUFNCDJQXSR-UHFFFAOYSA-N 304.390 3.009 10 40 DGCB CN(C)c1ccc(CNCc2ccccc2Cn2cccn2)cc1 24773604 HIUWBXGXCJFTDN-UHFFFAOYSA-N 320.440 3.287 10 40 DGCB Nc1ccc(CC(=O)N2CCC[C@H]2CCc2ccccc2)cc1 225469896 BFBIGWRJPPGSNU-IBGZPJMESA-N 308.425 3.435 10 40 DGCB CC(C)(C)c1n[nH]cc1/C=C1\SC(N2CCCCC2)=NC1=O 58343839 MOKQCCPQJCWYTI-XFXZXTDPSA-N 318.446 3.163 10 40 DGCB Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccccc1 68883946 LPJABHATZCLYHS-UHFFFAOYSA-N 305.381 3.419 10 40 DGCB O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cccc(F)c1 79268753 XWDMKJVODSOXDX-UHFFFAOYSA-N 324.358 3.343 10 40 DGCB CC1(C)OC(=O)C(=Cc2ccc(Cl)cc2Cl)C(=O)O1 119012 JZBIQVXAMASBFF-UHFFFAOYSA-N 301.125 3.213 10 40 DGCB biogenic CN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)c2ccccc21 6949913 PLKTYLQOQKLACO-NBVRZTHBSA-N 320.392 3.040 10 40 DGCB O=C1N=C(O)/C(=C\c2ccsc2)C(=O)N1c1ccc(F)cc1 105113 FDYWTOBELSNMRB-KPKJPENVSA-N 316.313 3.394 10 40 DGCB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc([N+](=O)[O-])o1 463416 KFMJDHJYBJDNGN-YFHOEESVSA-N 301.229 3.308 10 40 DGCB COc1cccc(-n2c(C)cc(C(=O)Nc3ccn(C)n3)c2C)c1 32455438 QGPLGBGJIXPKFO-UHFFFAOYSA-N 324.384 3.089 10 40 DGCB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S 4954210 WZEDYBNGSHAXFW-FMIVXFBMSA-N 321.423 3.084 10 40 DGCB CNc1nc(/N=N/c2ccccc2)nc(OCC(F)(F)F)n1 4719592 YJGDBUNGTLYTIE-QZQOTICOSA-N 312.255 3.270 10 40 DGCB OCCN[C@H](Cc1ccccc1)c1c(O)ccc2ccccc12 6580766 GSHLIJHTMMLPOQ-GOSISDBHSA-N 307.393 3.411 10 40 DGCB O=C(CSc1nc2ccccc2o1)c1ccc(O)c(O)c1 5628740 ROGGOTIFXXGRQN-UHFFFAOYSA-N 301.323 3.214 10 40 DGCB C[C@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 69459376 FTEIHNWPLKHLCX-XHDPSFHLSA-N 324.371 3.029 10 40 DGCB CCOc1c(/N=N\c2ccc(C)cc2)c(C)nn1C(N)=S 104237562 DZGXVJHLJKSEMG-MSUUIHNZSA-N 303.391 3.406 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccccn2)cc1 12631299 JKTRNSKKXWJBRZ-UHFFFAOYSA-N 319.408 3.462 10 40 DGCB O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1cccnc1 71785167 HLCIPSAWSJSQGF-YBEGLDIGSA-N 321.405 3.110 10 40 DGCB Cc1sc2nc(CSc3nccs3)[nH]c(=O)c2c1C 78379428 JQPPGIDPAKQPBN-UHFFFAOYSA-N 309.441 3.350 10 40 DGCB Cc1ccc(S(=O)(=O)/N=N\[C@H]2[C@@H]3[C@H]4C[C@@H]2C(C)(C)[C@H]43)cc1 104111535 UYCKWHNXMAPIRN-XIXMWVHMSA-N 304.415 3.426 10 40 DGCB CCN1/C(=C\C=C2\SC(=S)NC2=O)C=Cc2ccccc21 100937256 LSOPCRXVPTYJQX-SPEXVAAVSA-N 314.435 3.455 10 40 DGCB Fc1cc(CN2CC[C@@H]3CCCC[C@@H]32)ccc1N1CCOCC1 92709651 CLSZLDCXKNSBRG-WMZOPIPTSA-N 318.436 3.427 10 40 DGCB COc1cccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)c1 97944950 JVELLLRARVTPTA-VHEBQXMUSA-N 309.329 3.172 10 40 DGCB COc1ccccc1C=C1C(=O)OC(C)(c2ccccc2)OC1=O 90549 GHFXQAXOWUXJQA-UHFFFAOYSA-N 324.332 3.052 10 40 DGCB CC1(C)OC(=O)C(=Cc2cccn(C(C)(C)C)c2=S)C(=O)O1 344324 FTLWBZNZOCWMGW-UHFFFAOYSA-N 321.398 3.192 10 40 DGCB CCN1C(=O)/C(=C/C=C/c2ccc(OC)cc2)SC1=S 5597961 AYIXBONFEYZKDO-XFYQWYMDSA-N 305.424 3.473 10 40 DGCB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3cnn(C)c3)S2)c1 21791371 VZPQWOOSWMUFME-VGOFMYFVSA-N 312.398 3.119 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)ccc1O 57832390 PIGKOEZFIRYLEU-UHFFFAOYSA-N 318.804 3.384 10 40 DGCB CC(=O)N[C@H](c1ccccc1F)c1ccc2cccnc2c1O 270239 LVWAXNFMZJQGRQ-QGZVFWFLSA-N 310.328 3.305 10 40 DGCB CCC[C@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 69602017 GYRZXJOTEGIENH-AWEZNQCLSA-N 304.434 3.216 10 40 DGCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3csnn3)S2)c1 48332580 RIZKVJGRGZZXDT-SDQBBNPISA-N 316.411 3.237 10 40 DGCB CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)SC1=S 32304172 MVYAHKHKRGDCQD-LUAWRHEFSA-N 300.474 3.356 10 40 DGCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Cl)C(=O)C2=O 100867427 FQRYPWPKUXICNA-IAGOWNOFSA-N 319.788 3.243 10 40 DGCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1 356239 IIKWAOUDVZUWCO-XNTDXEJSSA-N 312.756 3.110 10 40 DGCB CN(C)c1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1 4178700 GVDCIAXIZVYMDY-UHFFFAOYSA-N 322.416 3.095 10 40 DGCB Cc1ccccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 10906960 QLYIXOVCLVLWCD-UHFFFAOYSA-N 324.424 3.104 10 40 DGCB Cc1ccnc([C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)n1 257236467 HCIRABDAXXCMBW-SFHVURJKSA-N 322.456 3.375 10 40 DGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Cl)cc1 241966 VGFXFLKRLNTNJA-UHFFFAOYSA-N 306.745 3.484 10 40 DGCB CN1CCCS/C1=C1\SC(=S)N(c2ccccc2)C1=O 104297557 LKGVMWQXJNJISS-QBFSEMIESA-N 322.480 3.289 10 40 DGCB O=C(NCc1ccc(N2CCCC2)cc1)NC1CCCCC1 47579850 HBJOGKUPFDHYCC-UHFFFAOYSA-N 301.434 3.419 10 40 DGCB CC(=O)Oc1ccc(N=[N+]([O-])c2ccc(OC(C)=O)cc2)cc1 104070896 OPUCTUAYXRJCKO-UHFFFAOYSA-N 314.297 3.463 10 40 DGCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C)cc2)C(C(=O)OC)=C1C 409012229 JYKLBNLUBYVTFV-YYTPVVGHSA-N 313.397 3.466 10 40 DGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(C)cc1 97435 GULXVTVVWSMVOU-YVLHZVERSA-N 320.348 3.499 10 40 DGCB CCN(CC)Cc1cc(C(C)(C)C)cc(N2CCOCC2)c1O 1683264 SGEDPYVHGDDVDY-UHFFFAOYSA-N 320.477 3.368 10 40 DGCB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccccc1[N+](=O)[O-] 11692053 XVJLUFRRDJLDEC-QBFSEMIESA-N 319.320 3.249 10 40 DGCB Nc1ccc(Cn2cnc(-c3nc(-c4ccccc4)no3)c2)cc1 71289322 MUEVDRLZGNBRRU-UHFFFAOYSA-N 317.352 3.231 10 40 DGCB CC1(C)[C@@]2(C(=O)Nc3ccccc3Cl)CC[C@@]1(C)C(=O)C2=O 100867429 FQRYPWPKUXICNA-IRXDYDNUSA-N 319.788 3.243 10 40 DGCB C/C(NC1CC1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112109248 LGWMTLMPTOELIH-JXAWBTAJSA-N 317.392 3.464 10 40 DGCB COc1ccc(O)c([C@H]2NN=C(c3ccc(C)cc3)S2)c1 302539 ICQWKDZWPXXRJQ-INIZCTEOSA-N 300.383 3.406 10 40 DGCB CCN(CC)Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3 2397750 PJFGALVJZDKXNR-UHFFFAOYSA-N 301.386 3.138 10 40 DGCB COc1cc(C(=S)NCc2ccc(Cl)cc2)cc(O)c1O 3338786 BAIPUYPEOQZMMJ-UHFFFAOYSA-N 323.801 3.225 10 40 DGCB C[C@H]1c2ccsc2CCN1Cc1cc2c(cc1O)OCO2 8186852 IVNQJTWKMIEPSK-JTQLQIEISA-N 303.383 3.302 10 40 DGCB O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1c(F)cccc1F 71909559 CRFJFSFZNZKABM-VXGBXAGGSA-N 303.308 3.090 10 40 DGCB CCCCCC(=O)Nc1cc(OC)ccc1N1CCOCC1 7496829 YSFFYWFJKSMQCP-UHFFFAOYSA-N 306.406 3.051 10 40 DGCB COc1ccc(N(C)CCCNC(=O)c2cccc(F)c2)cc1 224959805 SRVJGCFAKSCPQG-UHFFFAOYSA-N 316.376 3.091 10 40 DGCB CCN(CC)c1ccc(CNC(=O)c2cccc(OC)c2)cc1 78502105 SXODOUWFEJBIFK-UHFFFAOYSA-N 312.413 3.471 10 40 DGCB CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCC3 20135138 WHSIJRGPMOMCCX-UHFFFAOYSA-N 321.804 3.483 10 40 DGCB O=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1O)N[C@H]2c1ccccc1O 13778124 VPRRXGCLWRHPQO-QXGSTGNESA-N 323.392 3.469 10 40 DGCB CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1nc(C)c(C)o1 65753334 DADLNEBKFHKHCR-UHFFFAOYSA-N 316.405 3.411 10 40 DGCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)NC1=O 409255875 ZYOXHSHRXJNFPI-NTEUORMPSA-N 318.398 3.009 10 40 DGCB COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(F)cc2)c1 84647512 WQQJTCOBQHUIOR-GFCCVEGCSA-N 317.360 3.350 10 40 DGCB c1cc(N2CCOCC2)ccc1CN1CCC[C@H]2CCC[C@@H]21 92485590 GQXMMVGSWMXUHF-MJGOQNOKSA-N 300.446 3.288 10 40 DGCB Oc1ccc(OC[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1O 147766060 VJMXXTJAPJRAQL-XJKSGUPXSA-N 317.360 3.009 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)nc1 23744605 HHQVYVSQNDXJKW-UHFFFAOYSA-N 303.793 3.073 10 40 DGCB O=C(NCCCSc1nccs1)N1C[C@@H]2CC=CC[C@H]2C1 89885337 ALDYXTZDPOZMDR-STQMWFEESA-N 323.487 3.233 10 40 DGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccccc1O 5730817 VNCLHTKWCBNIIL-SDNWHVSQSA-N 307.353 3.419 10 40 DGCB CC(=O)O[C@@H]1C=CC[C@@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@@H]21 4963415 SNPUCAVGMTZVGE-QGTPRVQTSA-N 320.344 3.343 10 40 DGCB COC(=O)CCCN1C(=O)S/C(=C/c2ccccc2)C1=S 5010045 XQYONHPKTRISSC-ZRDIBKRKSA-N 321.423 3.477 10 40 DGCB COCCCNC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 5484219 QRNRABCBFSMHMN-UHFFFAOYSA-N 300.402 3.169 10 40 DGCB O=C1Nc2ccccc2/C1=C\c1nccn1Cc1ccccc1 96406206 FOELVYPPTNPIFA-FOWTUZBSSA-N 301.349 3.424 10 40 DGCB COc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 13547666 VDJDXEMKWDEIFK-KAMYIIQDSA-N 302.399 3.151 10 40 DGCB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OC)=C1C 59435690 YCERWUZBUBWQFJ-LCYFTJDESA-N 305.761 3.033 10 40 DGCB COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(F)cc2)c1 84647507 WQQJTCOBQHUIOR-LBPRGKRZSA-N 317.360 3.350 10 40 DGCB CCOc1cccc(CNc2ccc(OC)cc2OC)c1O 44836364 INKRKTHOPPQLIK-UHFFFAOYSA-N 303.358 3.420 10 40 DGCB Cc1cc(C)n2nc(N)c(/N=N/c3ccc(C(=O)O)cc3)c2n1 5541353 JZNBUCDKGYVJAN-VHEBQXMUSA-N 310.317 3.042 10 40 DGCB CN(C)c1ccc(CNC(=O)CSc2ccccc2)cc1 18214926 NNLNITBJWFNFNZ-UHFFFAOYSA-N 300.427 3.161 10 40 DGCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCOC 100423308 RHPSSPBZTKFZJD-VKAVYKQESA-N 315.417 3.089 10 40 DGCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1 96925144 SPYZOALNZHAFMO-QGOAFFKASA-N 320.392 3.343 10 40 DGCB CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 361649 MSAXXISAUSUAFZ-WJDWOHSUSA-N 309.369 3.007 10 40 DGCB Cc1ccc(C)n1-c1cccc(NC(=O)NCc2cc[nH]n2)c1 40120402 VAUVBFVCOVSRBN-UHFFFAOYSA-N 309.373 3.139 10 40 DGCB CCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CCC 103917643 KQDKOMOTZBBDCK-LGMDPLHJSA-N 315.417 3.472 10 40 DGCB COc1ccc(OC)c(/C=C2\SC(=S)N(C(C)C)C2=O)c1 4816034 WENHYDOVWDWXJZ-JYRVWZFOSA-N 323.439 3.313 10 40 DGCB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cccnc1 96759172 KOTHRODGJMDABE-XYOKQWHBSA-N 309.756 3.389 10 40 DGCB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1O)N[C@@H]2c1ccccc1O 13778131 VPRRXGCLWRHPQO-WTLGNFPFSA-N 323.392 3.469 10 40 DGCB O=C1N=C(O)/C(=C\c2ccc[nH]2)C(=O)N1c1ccc(Cl)cc1 33899319 QTWBGFYFRUTUNQ-XYOKQWHBSA-N 315.716 3.175 10 40 DGCB O=C(NC1CC1)C1CCN(Cc2c(O)ccc3ccccc23)CC1 58403863 KIRGNWBMWDNHOW-UHFFFAOYSA-N 324.424 3.036 10 40 DGCB COc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1 69740892 GCLOHPJMFXBITP-UHFFFAOYSA-N 324.424 3.402 10 40 DGCB COc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(C)cc1N 256160898 RFHAPRIQUZZKDJ-UHFFFAOYSA-N 321.358 3.248 10 40 DGCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc[nH]3)C2=O)cc1 9012968 RRLVYXNTJJFGRR-UVTDQMKNSA-N 309.325 3.084 10 40 DGCB Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)n1ccnc1)OCO2 5479094 WOTHQAYNAPHLDM-QGZVFWFLSA-N 312.300 3.094 10 40 DGCB in-vivo Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 26990046 KVJOUMKMUHLISE-IYBDPMFKSA-N 312.413 3.344 10 40 DGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1c(C)nn(C)c1C 408757741 QCYFIMOEFXHSCS-MHWRWJLKSA-N 323.400 3.064 10 40 DGCB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(O)cc2F)cc1 95468571 LPXKLAJTHUQIKG-CMDGGOBGSA-N 307.346 3.252 10 40 DGCB CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 223026100 HREZGYDOLCHBTJ-UHFFFAOYSA-N 323.801 3.333 10 40 DGCB Cc1ccc(F)cc1NC=C1C(=O)OC2(CCCCC2)OC1=O 23127167 QUQVJQLWPVJTIP-UHFFFAOYSA-N 319.332 3.190 10 40 DGCB O=C1/C(=C/c2cccs2)SC(=S)N1CN1CCCCC1 21966882 ZEIKYPLXXPQQBF-XFXZXTDPSA-N 324.496 3.393 10 40 DGCB C[C@@H](C[C@H](O)c1cccs1)NCc1ccc2c(c1)CCO2 95448903 MRAGPKXNZNDYIU-WFASDCNBSA-N 303.427 3.285 10 40 DGCB O=C1/C(=C\Nc2ccc(O)cc2)SC(=S)N1C1CCCC1 9422570 MCHSIKKOOAEPRO-UKTHLTGXSA-N 320.439 3.448 10 40 DGCB COc1ccc(N(Cc2ccco2)Cc2nccn2C)cc1F 96417475 DPVHWQLKPXKISZ-UHFFFAOYSA-N 315.348 3.368 10 40 DGCB CN(C)c1ccc(/C=C/c2ccc(NC=O)cc2NC=O)cc1 255188595 KNNOZPQFPLVLNK-ZZXKWVIFSA-N 309.369 3.060 10 40 DGCB Cc1ccc(CNCc2cc(Br)ccc2O)cn1 78394110 IVPQCAIOLQKWMP-UHFFFAOYSA-N 307.191 3.148 10 40 DGCB Nc1ncnc2[nH]c(/N=N/c3c(O)ccc4ccccc34)nc12 104334462 MNAOWHXKCJFRGT-QURGRASLSA-N 305.301 3.209 10 40 DGCB CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1 5966782 OZWXDWVFTIFZHS-AWEZNQCLSA-N 303.789 3.371 10 40 DGCB in-vitro O=C(Cn1c(-c2ccccc2)c[n+]2c1SCC2)c1ccccc1 13640535 KHRLJSZBGBRIQJ-UHFFFAOYSA-N 321.425 3.431 10 40 DGCB COc1ccc2ccnc(C3C(=O)c4ccccc4C3=O)c2c1 100944869 KXHOZNARDVFSEI-UHFFFAOYSA-N 303.317 3.406 10 40 DGCB CCN(CC)Cc1c(C)cc2oc(=O)c3c(c2c1O)CCC3 5235486 YRZSVQICQKLSFQ-UHFFFAOYSA-N 301.386 3.138 10 40 DGCB O=C(O)CC[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529434 GEGYCWAFQQQBPC-OAHLLOKOSA-N 324.336 3.118 10 40 DGCB O=C1c2ccccc2C(=O)c2c(NCc3cccnc3)cccc21 4957101 ZDQSQRLDDMMXQZ-UHFFFAOYSA-N 314.344 3.469 10 40 DGCB O=C1/C(=C\Nc2cccc(O)c2)SC(=S)N1C1CCCC1 9422798 RWMHUCWCZQHIGK-UKTHLTGXSA-N 320.439 3.448 10 40 DGCB COc1ccccc1/C=C1/SC(N2CCC[C@H](C)C2)=NC1=O 13533144 RWWQYNMURUGQMZ-XBUHWIKASA-N 316.426 3.397 10 40 DGCB O=C1/C(=C\C2=CCCO2)SC(=S)N1c1cccc(F)c1 20120523 QNOIXHWXFCFDEK-XYOKQWHBSA-N 307.371 3.379 10 40 DGCB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2cccc(Br)c2)C1 2087104641 MQIKAVAVNZTRCD-SNVBAGLBSA-N 309.167 3.108 10 40 DGCB O=C1/C(=C\c2cccnc2)C(C(F)(F)F)=NN1c1ccccc1 408971658 KYWCXQZCFWPALY-LCYFTJDESA-N 317.270 3.430 10 40 DGCB COc1ccc(N2CCN(Cc3ccc(Cl)nc3)CC2)cc1 52525169 NFHUSYOGRUGFAV-UHFFFAOYSA-N 317.820 3.066 10 40 DGCB Cc1cccc(OCC(=O)NCc2ccc(N(C)C)cc2)c1C 8171244 YUCLKRXLQZVNGO-UHFFFAOYSA-N 312.413 3.065 10 40 DGCB O=C1NN(c2ccccc2)C(=O)C1=CC=Cc1ccccc1Cl 1857790690 VVZJFICTTKPNCK-UHFFFAOYSA-N 324.767 3.358 10 40 DGCB O=C1NC(=S)N/C1=C/c1cc(/N=N/c2ccccc2)ccc1O 105639199 FRGSLDHILMIQGB-SOVQPLPISA-N 324.365 3.153 10 40 DGCB CN(C)c1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1 13739577 ANHDDOVYDLLMCS-VBKFSLOCSA-N 323.421 3.015 10 40 DGCB Cc1ccc2c(c1C)NC(=O)[C@]21NN=C(c2ccccc2)S1 342226 PEVGVQUYBNMZTF-KRWDZBQOSA-N 309.394 3.107 10 40 DGCB biogenic CCN1C(=O)/C(=C/C=C/N(C)c2ccccc2)SC1=S 1567244 TUDYVCILAXJZPH-JSJZFMHOSA-N 304.440 3.401 10 40 DGCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1Cc1ccco1 5371200 LBCUOTDHEUOZTI-JYRVWZFOSA-N 317.391 3.387 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C/c1csc([N+](=O)[O-])c1 53105682 QJVFKGGLVJBOSP-UXBLZVDNSA-N 323.399 3.113 10 40 DGCB Cc1cc(/C=C2\SC(N)=NC2=O)c(C)n1-c1ccc(F)cc1 5127341 INCCULVWLNNSJM-ZSOIEALJSA-N 315.373 3.162 10 40 DGCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cccnc3)C2=O)cc1 100422657 SDJOZTCXEBLQGQ-ATVHPVEESA-N 322.368 3.199 10 40 DGCB COc1ccc(N(Cc2cc(C)on2)Cc2cc(C)on2)cc1 47549797 RMCLYENBZMCZNH-UHFFFAOYSA-N 313.357 3.495 10 40 DGCB CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 479643 ZKJWUESGFTXOIS-BOPFTXTBSA-N 323.396 3.315 10 40 DGCB CC1=CC2=NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=N)N2O1 2436522 USRWAOOQISZBGA-JLQRMEIYSA-N 319.320 3.397 10 40 DGCB COc1cc(/C=C2\C=C(c3cccs3)OC2=O)ccc1O 409052208 QRSUNKFXTQYSHS-YRNVUSSQSA-N 300.335 3.444 10 40 DGCB O=C1OC(c2ccccc2)=C/C1=C1\C=C(c2ccccc2)OC1=O 6574898 MIANLYJPNCEFOV-NXVVXOECSA-N 316.312 3.479 10 40 DGCB Cc1cc(C)c2c(c1)C(=O)[C@H](c1cc(=O)c3ccccc3[nH]1)C2=O 4385456 PBAAXFAPWOTKPL-SFHVURJKSA-N 317.344 3.308 10 40 DGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccccc1 13914718 YCGQIPPWYSKZGC-MHWRWJLKSA-N 306.321 3.191 10 40 DGCB CCCCN1C(=O)/C(=C/C=C2\SCCN2C)SC1=S 19806009 LKHOSQNUTJPPBI-IEESQIRDSA-N 314.501 3.051 10 40 DGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccs1 102070566 PPBOCHBCJJLLFH-NTEUORMPSA-N 313.338 3.462 10 40 DGCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cccs1 100147581 FVGUTXVVJUFCJI-NTEUORMPSA-N 312.350 3.252 10 40 DGCB CC(C)c1ocnc1C(=O)NCCCSc1nccs1 79310601 UUVXISDSFCAAEV-UHFFFAOYSA-N 311.432 3.167 10 40 DGCB CCOc1cc2c(cc1/C=C1/SC(=S)N(C)C1=O)CCC2 98086360 VOWODOYIWKJMNZ-NTEUORMPSA-N 319.451 3.405 10 40 DGCB Cn1ccnc1Sc1cccc2c1C(=O)c1ccccc1C2=O 4148948 AIKDILRFOPNQIO-UHFFFAOYSA-N 320.373 3.347 10 40 DGCB O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(O)cc1 4994135 DVSAWDNNQKTKOI-UKTHLTGXSA-N 314.391 3.193 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1[N+](=O)[O-] 7701122 UTQUOQBTFZIWLP-RAXLEYEMSA-N 317.370 3.051 10 40 DGCB O=C1/C(=C/c2ccccc2)SC(=S)N1CN1CCCCC1 24716537 LDWASJGGRWSMIX-KAMYIIQDSA-N 318.467 3.331 10 40 DGCB CC(=O)c1cc(F)cc(CN(C)Cc2ccccc2O)c1O 95964229 HIWYCBOXIXRCBS-UHFFFAOYSA-N 303.333 3.072 10 40 DGCB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccnc3)NC(=O)CN21 354248 NTNSIQPVVGVBPT-IBDYFIJFSA-N 319.408 3.027 10 40 DGCB O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1 4618886 XHTDUXQYGBCYQS-UHFFFAOYSA-N 320.389 3.227 10 40 DGCB Cc1ccccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 4356742 MBJMAXNUMDAXBN-XFXZXTDPSA-N 321.423 3.061 10 40 DGCB CCN(CC)c1ccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1 5158386 RQVBGXAJFORDKD-QRVBRYPASA-N 302.462 3.489 10 40 DGCB Oc1ccccc1[C@H](c1ccc(Cl)cc1)N1CCOCC1 12998205 LGACAMGKXBAKFO-KRWDZBQOSA-N 303.789 3.467 10 40 DGCB COc1ccc(N(C)Cc2cn3c(C)cccc3n2)cc1OC 63617381 UYLCUYGMDANUDP-UHFFFAOYSA-N 311.385 3.296 10 40 DGCB COc1cc(NCc2ccccc2O)ncc1Br 95977598 XOKNKRTYHQXJIG-UHFFFAOYSA-N 309.163 3.170 10 40 DGCB COc1cc(CN[C@H]2CCN(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 585093619 NRGIZYSLKGNLLS-ZFWWWQNUSA-N 320.477 3.271 10 40 DGCB CCOc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1 170225 IZVQWDKWDGDNMO-UHFFFAOYSA-N 324.332 3.268 10 40 DGCB Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/N(C)C)cc2)cc1 306287 MJMWPMNETSKBEQ-FBMGVBCBSA-N 318.402 3.356 10 40 DGCB CCOC(=O)c1ccc(NC[C@@H]2CNc3ccccc3N2)cc1 4830550 NZJXAWYMBOBCIQ-OAHLLOKOSA-N 311.385 3.181 10 40 DGCB COc1ccc(N(C)Cc2cc3ccccc3[nH]c2=O)c(OC)c1 95973207 QMDMAGUWRWKFME-UHFFFAOYSA-N 324.380 3.182 10 40 DGCB O=C1NC(=S)S/C1=C/c1cc(Cl)cc(Cl)c1O 1033065 DKPUTSXUNGELDW-FARCUNLSSA-N 306.195 3.188 10 40 DGCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1C[C@H]1CCCO1 409086412 DRRNEGBZSIEUKF-AMYJZYKFSA-N 321.423 3.216 10 40 DGCB CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1174901 NUVUSJFIBYRKLR-GHXNOFRVSA-N 307.396 3.027 10 40 DGCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1ccccc1 6222746 CTXYZPKTUCDFME-FMIVXFBMSA-N 315.375 3.321 10 40 DGCB CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 59417945 VNMPKOJKKFTYFJ-DHZHZOJOSA-N 308.384 3.206 10 40 DGCB CN(C)c1ccc([C@H]2C(=O)c3ccc([N+](C)(C)C)cc3C2=O)cc1 101462986 COTUFYDYOBHLKV-SFHVURJKSA-N 323.416 3.112 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 26990040 KVJOUMKMUHLISE-HZPDHXFCSA-N 312.413 3.344 10 40 DGCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1O 12868093 WHEOSUQAGOFBFX-GDNBJRDFSA-N 308.337 3.207 10 40 DGCB CCCCNC1=NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 20583130 CJCXMNSCIMOHOV-UVTDQMKNSA-N 320.414 3.064 10 40 DGCB O=C1/C(=C\c2ccccc2O)SC(=S)N1Cc1ccco1 1025625 BDMPQTSHTYLPCF-MDWZMJQESA-N 317.391 3.387 10 40 DGCB Cc1ccc(C)n1-c1ccsc1C(=O)NO[C@H]1CCCCO1 58423733 TYHGBNAWDZVFCM-AWEZNQCLSA-N 320.414 3.344 10 40 DGCB O=C1c2ccccc2C(=O)c2c(/C=C/N3CCCCC3)ccnc21 31840938 ZZOIBZBKTUIRIW-UKTHLTGXSA-N 318.376 3.314 10 40 DGCB Cc1cc(C)cc(OC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c1 100868407 ZRFLTMORMHZORC-RTBURBONSA-N 314.381 3.173 10 40 DGCB c1cnc2nc(NCc3ccc(N4CCCC4)cc3)ccc2n1 63508724 ADYDNMIBTOSIDO-UHFFFAOYSA-N 305.385 3.237 10 40 DGCB O=c1[nH]c(CSc2nccs2)nc2c1oc1ccccc12 69452458 CGJWJDGPGBBHIM-UHFFFAOYSA-N 315.379 3.418 10 40 DGCB CN(C)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 111543 LWVUAWHWEMYMOW-NTCAYCPXSA-N 315.442 3.209 10 40 DGCB Cc1oc(C(=O)O)cc1COc1ccc2c(C)cc(=O)oc2c1 2482286 DCTRURMZCPIWII-UHFFFAOYSA-N 314.293 3.280 10 40 DGCB biogenic COCc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 32914700 ULCVUCDJFILHTC-UHFFFAOYSA-N 324.424 3.363 10 40 DGCB CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 71799916 XSIGOBQFPDZBCQ-UHFFFAOYSA-N 302.340 3.300 10 40 DGCB O=C1/C(=C/c2cccs2)SC(=S)N1C[C@H]1CCCO1 2230148 YTSZOJKTVYQDKG-MDXIRLPMSA-N 311.453 3.128 10 40 DGCB COc1ccc(N2CCC(NC(=O)CC3CCCC3)CC2)cc1 69599835 QPKXQLAPCQTWHV-UHFFFAOYSA-N 316.445 3.361 10 40 DGCB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccnc1 31981 KCMDCTVPBIDKAE-BQYDLMEBSA-N 319.408 3.109 10 40 DGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NN(C)c1ccccc1 408526314 BRVHEQCFBTYMKC-AQTBWJFISA-N 320.396 3.242 10 40 DGCB CCN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409076145 YOQDUEAFTXTHJV-AVJLEEFCSA-N 302.399 3.365 10 40 DGCB CCS[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 74889048 QJWMCTUSSVRBEW-KGLIPLIRSA-N 308.447 3.208 10 40 DGCB CCCN(CC(=O)N1CCc2ccccc21)Cc1ccccc1O 58192526 BJQQKGWQSWMLPQ-UHFFFAOYSA-N 324.424 3.194 10 40 DGCB O=C(CSc1nccs1)NC12CC3CC(CC(C3)C1)C2 47238776 TUSTUSRWJBUGGX-UHFFFAOYSA-N 308.472 3.320 10 40 DGCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 5528872 CDHQJKOFBGKDBS-KRLNTZMLSA-N 316.386 3.335 10 40 DGCB COc1ccc(O)c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c1 6646186 QHIOSDYSURDXJN-AWEZNQCLSA-N 302.761 3.493 10 40 DGCB biogenic CN(c1ccc(CNC(=O)[C@H]2CCCO2)cc1)C1CCCCC1 83868074 ARCIQGJIATZIDM-GOSISDBHSA-N 316.445 3.251 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 12631940 RPCALRBJAYDENZ-DHDCSXOGSA-N 306.321 3.221 10 40 DGCB O=C1[C@@H](Cc2ccccc2)SC(=S)N1Cc1cccnc1 7094929 XMCBHHZVQJXXOF-CQSZACIVSA-N 314.435 3.053 10 40 DGCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 14021230 QCXLQOZKNKMXAK-RAXLEYEMSA-N 317.370 3.051 10 40 DGCB CCCN1C(=O)/C(=C\c2ccccc2Cl)C(C(=O)OC)=C1C 409198774 KUXAXSRZFKJHQD-RAXLEYEMSA-N 319.788 3.423 10 40 DGCB CC(=O)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 96778 BOFBRFGLVZDACG-LDADJPATSA-N 320.348 3.418 10 40 DGCB CC(C)Oc1cccc(NC(=S)NCc2ccccn2)c1 225330377 CQGCDHYPZRBLSO-UHFFFAOYSA-N 301.415 3.355 10 40 DGCB COc1ccc(N2CCN(CC(=O)c3ccc(C)cc3)CC2)cc1 36046444 CJCAXRAEAAIXTI-UHFFFAOYSA-N 324.424 3.009 10 40 DGCB O=C(NCc1cc([N+](=O)[O-])ccc1O)Nc1ccccc1Cl 43147135 WIKVQQKQBSDKBP-UHFFFAOYSA-N 321.720 3.276 10 40 DGCB O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1c1ccc(F)cc1 2277734 NERZNRJXHRGXOR-XYOKQWHBSA-N 316.313 3.394 10 40 DGCB O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1c(F)cccc1F 71909560 CRFJFSFZNZKABM-NEPJUHHUSA-N 303.308 3.090 10 40 DGCB Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1ccccn1 73744618 VWXVDMUQDVFTRI-UHFFFAOYSA-N 309.413 3.408 10 40 DGCB CCOc1cccc(/C=C2\SC(=S)N(CC)C2=O)c1OC 12755231 JBWBZWNBAJEXMA-XFXZXTDPSA-N 323.439 3.315 10 40 DGCB C[C@H]1CCCN(c2ccc(CNC(=O)c3cccnc3)cc2)C1 225431629 ZBTYPTULJUQOOM-HNNXBMFYSA-N 309.413 3.248 10 40 DGCB Cc1cc(N/C=C2\SC(=S)N(c3ccccc3)C2=O)no1 618254954 KTMDRNUQLSKHOF-FLIBITNWSA-N 317.395 3.301 10 40 DGCB COc1ccc(CNC(=O)N(C)[C@H](C)c2ccccc2O)cc1 12978437 KDNKTGJFRMJVQS-CYBMUJFWSA-N 314.385 3.303 10 40 DGCB Oc1ccc(Br)cc1[C@H]1CC(c2ccoc2)=NN1 4275486 BUHIIUIJIQSQID-GFCCVEGCSA-N 307.147 3.186 10 40 DGCB CCN1/C(=C/C=C2\SC(=S)N(C)C2=O)Oc2ccccc21 4797776 PCSYXWHVLXYKLH-JMVBYTIWSA-N 318.423 3.121 10 40 DGCB Cc1ccc2c(O)c3c(cc2c1O)C(=O)c1ccccc1C3=O 5618697 LUEHWKLYHOPTLW-UHFFFAOYSA-N 304.301 3.335 10 40 DGCB Oc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 98211179 APYNANOQMJASDO-UHFFFAOYSA-N 302.805 3.368 10 40 DGCB CCCOC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 5374669 YYJWDPUQJOHVST-XFXZXTDPSA-N 321.423 3.084 10 40 DGCB Oc1ccc(OC[C@H]2CNCC[C@H]2c2ccc(F)cc2)cc1O 147766449 VJMXXTJAPJRAQL-CJNGLKHVSA-N 317.360 3.009 10 40 DGCB COc1ccc(N(C)CCNC(=O)c2ccc(C)cc2C)cc1 225058030 WPDBFDAWIHKFPU-UHFFFAOYSA-N 312.413 3.178 10 40 DGCB CCCN1C(=O)/C(=C/c2cc(OC)cc(OC)c2)SC1=S 409328297 ROGXFWIIUNAYRM-JYRVWZFOSA-N 323.439 3.315 10 40 DGCB CCc1ccc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)cc1 5877462 IWZLWWWDGCUXQU-AQTBWJFISA-N 320.392 3.273 10 40 DGCB CCC1=NN2C(=N)/C(=C\c3c[nH]c4ccccc34)C(=O)N=C2S1 19996839 LWZKCJJGUJVMLL-GNPCJPGPSA-N 323.381 3.197 10 40 DGCB O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCOc3ccccc32)c1 71792583 HPWUIYANGYRIOO-HNNXBMFYSA-N 314.341 3.304 10 40 DGCB Cc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1C 14189442 JXWDBRQONRJXLM-UHFFFAOYSA-N 320.433 3.062 10 40 DGCB Cc1ccc(-c2cnc(SCC(N)=O)n2CC(C)C)cc1 44085273 WMKSZJMUONIZPJ-UHFFFAOYSA-N 303.431 3.092 10 40 DGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc(Cl)c1 366338 NIZGBTXKUCFKPG-ZROIWOOFSA-N 319.788 3.421 10 40 DGCB O=C1N=C(N2CCSCC2)S/C1=C/c1ccc(Cl)cc1 13693405 FTSRGJQUHRLOCE-FMIVXFBMSA-N 324.858 3.359 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N(C)C)c1 18150472 GWQMUBPWWAYDAA-UHFFFAOYSA-N 311.429 3.091 10 40 DGCB COc1ccc(CN[C@@H](c2ccccc2)c2nc(C)n[nH]2)cc1C 69168904 CHUSGCWCPMNTSU-SFHVURJKSA-N 322.412 3.309 10 40 DGCB CCCN(Cc1ccccc1O)C(=O)c1cccc([N+](=O)[O-])c1 58178680 DSCBGJHTEFYNCU-UHFFFAOYSA-N 314.341 3.353 10 40 DGCB Cc1cc(=O)oc2c(C)c(O)c(CN3CCCCCC3)cc12 2131721 HZNWHSUSPBVSLH-UHFFFAOYSA-N 301.386 3.491 10 40 DGCB biogenic CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S 4551379 NOZUQKGXZMHEMR-UITAMQMPSA-N 314.775 3.079 10 40 DGCB Cc1cc(C)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 71831027 ZATUJKUMHACMQO-HNNXBMFYSA-N 312.417 3.103 10 40 DGCB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccnc1 97992376 CPKFXTBOOGVGIM-WQLSENKSSA-N 309.756 3.389 10 40 DGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccncc2)SC1=S 409199077 GYEHKTPHKUFLMP-UKTHLTGXSA-N 315.423 3.037 10 40 DGCB Cc1ccc(N2C(=O)/C(=C/c3ccoc3)C(O)=NC2=S)cc1 1301769 BLHNSZIUBRQFRR-MDWZMJQESA-N 312.350 3.260 10 40 DGCB CCOC(=O)[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@@H]2C=CC[C@H]12 4728025 DXRRYTCUQOXXIL-VYUIOLGVSA-N 321.760 3.055 10 40 DGCB biogenic,in-vitro Cc1cc(/N=N\c2cccc(S(=O)(=O)O)c2C)c(N)cc1N 17302770 BTZONWCVRIACFT-ZCXUNETKSA-N 320.374 3.130 10 40 DGCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(O)cc1 1280954 LVUDRWMKTHYRLN-ZROIWOOFSA-N 312.350 3.180 10 40 DGCB O=C1/C(=C/[C@@H]2CC=CCC2)SC(=S)N1C[C@@H]1CCCO1 4187390 RMUGCXRQFPCRGN-YFNPVVSBSA-N 309.456 3.266 10 40 DGCB Cc1cc(C)cc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1 100868414 REFFJPZEAJQLLE-OALUTQOASA-N 313.397 3.206 10 40 DGCB CC1=NC(=O)[C@@H](/N=N/c2ccccc2C(=O)O)N1c1ccccc1 17414064 HJTDGVIUYDRAOX-CVTQAYBASA-N 322.324 3.260 10 40 DGCB O=C(CSc1nncc2ccccc12)c1ccc(O)c(O)c1 22636420 HIWSPUKFZILTKM-UHFFFAOYSA-N 312.350 3.016 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\N(C)c1ccc(O)cc1 95470933 MENRRTDKNRWGMP-PDGQHHTCSA-N 321.380 3.443 10 40 DGCB COCCCNCc1cc(C)n(-c2ccccc2OC)c1C 113704238 TXHVJJKJMLKTTP-UHFFFAOYSA-N 302.418 3.229 10 40 DGCB CCN1C(=O)/C(=C2\C=CC(C(F)(F)F)=CN2C)SC1=S 1281117 JNJUIMKBRQWNEB-HJWRWDBZSA-N 320.361 3.026 10 40 DGCB COc1ccc2c(c1)CCCN2CC(=O)N1CCc2ccccc21 27578632 ODDGADDZBYIVTG-UHFFFAOYSA-N 322.408 3.037 10 40 DGCB S=C(NNc1ccccc1)Nc1ccc2nsnc2c1 408988026 CHMRTDONHGJWOF-UHFFFAOYSA-N 301.400 3.005 10 40 DGCB C[C@H]1CN(Cc2cc(Cl)c3cccnc3c2O)C[C@H](C)O1 21673367 PCCVHSWUQGFJHE-QWRGUYRKSA-N 306.793 3.203 10 40 DGCB Nc1c(Cl)cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1Cl 98050432 TZQAIIPKQXLDSR-DTORHVGOSA-N 313.184 3.255 10 40 DGCB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1nc2ccccc2s1 100934230 YIGIVXLVSLIVHM-ZDUSSCGKSA-N 324.317 3.367 10 40 DGCB COc1ccc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1C 8336394 OFNKXGKRDDXOJR-CQSZACIVSA-N 323.483 3.431 10 40 DGCB CN1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)SC1=S 4713866 VKOLQFSKGYAKGA-UAWWFITHSA-N 304.440 3.140 10 40 DGCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1Nc1ccccc1 5552799 YWHCDVWFHSMUEU-XFXZXTDPSA-N 301.396 3.243 10 40 DGCB COc1cc2c(cc1OC)[C@@H](Cc1ccc(N)cc1)N(C)CC2 4824429 CCTOTEIXUDCAEO-QGZVFWFLSA-N 312.413 3.058 10 40 DGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 20085934 JZEIMWMFKPFPEG-BOPFTXTBSA-N 320.348 3.499 10 40 DGCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1C1CCCC1 409130512 IGUMCQYSKUUIRP-GDNBJRDFSA-N 317.458 3.250 10 40 DGCB CCOC(=O)[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]12 1461881 HNUOXQDRHLEXMA-MJVIPROJSA-N 322.202 3.466 10 40 DGCB O=C(c1ccccc1)[C@@H]1SC(=S)N(c2ccccc2)C1=O 3843301 GWFLQAMVJPUPNO-AWEZNQCLSA-N 313.403 3.303 10 40 DGCB biogenic C/C(=C1\SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O)c1ccccc1 12417969 NWIBIQZUFDWWQW-NWKFZWBHSA-N 316.426 3.156 10 40 DGCB CCOc1c(/N=N/c2ccccc2C)c(C)nn1C(N)=S 17141901 NUDWMYFPIRPPHP-WUKNDPDISA-N 303.391 3.406 10 40 DGCB CCOc1cccc(CNc2ccc(OC)c(OC)c2)c1O 44836367 RORZSMTVIMTHGE-UHFFFAOYSA-N 303.358 3.420 10 40 DGCB COc1ccccc1/C=C1\SC(Nc2cccnc2)=NC1=O 4338982 HBBHSAAAMBWCGU-ZROIWOOFSA-N 311.366 3.173 10 40 DGCB Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)c(O)c3)sc2n1 10383749 YRTRSAALKAZDAB-UHFFFAOYSA-N 314.366 3.138 10 40 DGCB COc1ccc(CCNCc2cc(Cl)ccc2O)cc1OC 27907768 UJSOOCBGQWIQPH-UHFFFAOYSA-N 321.804 3.395 10 40 DGCB Cc1cnc(N2C(=O)CS[C@@H]2c2ccc(N(C)C)cc2)s1 19927008 CIJOIQWPFUTNQF-CQSZACIVSA-N 319.455 3.296 10 40 DGCB O=C1c2ccccc2C(=O)c2c1sc1nc3ccccc3n21 500176 LJPYJTSXEVAGSB-UHFFFAOYSA-N 304.330 3.324 10 40 DGCB COc1ccc(N(CCC(N)=O)Cc2ccc(Cl)cc2)cc1 22012667 PJSUSIUAIJNOSJ-UHFFFAOYSA-N 318.804 3.231 10 40 DGCB CCOc1ncccc1CN[C@@H](C)c1cc(OC)ccc1O 97113248 QKLSVLLLTGVVIK-LBPRGKRZSA-N 302.374 3.045 10 40 DGCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1ccc(C(F)(F)F)cc1 100408780 HEZWGTIYBGODTP-VMPITWQZSA-N 323.196 3.049 10 40 DGCB CCN1C(=O)N/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 4472497 DREXTYSOGXHOAL-GZTJUZNOSA-N 323.396 3.066 10 40 DGCB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(O)c(O)c2)S1 85412417 RWHKHILWJORRGH-ZDUSSCGKSA-N 319.386 3.055 10 40 DGCB CCc1nc(CN2CCN(c3ccc(OC)cc3)CC2)cs1 58251211 WVYKJMLTIVGCTL-UHFFFAOYSA-N 317.458 3.036 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 13774665 ADZQDMRTRBCTQK-WJDWOHSUSA-N 306.321 3.191 10 40 DGCB COc1ccc(CN[C@H](c2ccccc2)c2nc(C)n[nH]2)cc1C 69168905 CHUSGCWCPMNTSU-GOSISDBHSA-N 322.412 3.309 10 40 DGCB Clc1ccccc1CN1COc2cc3c(cc2C1)OCO3 20495095 GXJJNVABPHLHBC-UHFFFAOYSA-N 303.745 3.421 10 40 DGCB Cc1ccccc1N1C(=O)/C(=C/c2ccco2)C(O)=NC1=S 1300873 BVLXBSJBJYWXAG-FMIVXFBMSA-N 312.350 3.260 10 40 DGCB Oc1cc2c(cc1O)[C@H](c1ccccc1C(F)(F)F)NCC2 19691365 BFYLXAXYRKPZOY-HNNXBMFYSA-N 309.287 3.352 10 40 DGCB CCN(CC)c1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc1 102751404 RQVBGXAJFORDKD-CEXWTWQISA-N 302.462 3.489 10 40 DGCB C[C@@H]1c2ccsc2CCN1Cc1cc2c(cc1O)OCO2 8186849 IVNQJTWKMIEPSK-SNVBAGLBSA-N 303.383 3.302 10 40 DGCB COc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 5234144 KJFJLNPWGCLSDQ-UKTHLTGXSA-N 316.407 3.429 10 40 DGCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(C)c2)SC1=S 27530422 NZNCPQMVKMWZBQ-OYGDSYQHSA-N 321.423 3.059 10 40 DGCB COc1ccc(OC)c(C2=C/C(=C/c3ccncc3)C(=O)O2)c1 408723238 RRZWOYDVPRQNJE-LCYFTJDESA-N 309.321 3.080 10 40 DGCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1 547046 XVKRRWZNNASLFP-KRWDZBQOSA-N 310.353 3.098 10 40 DGCB CCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OCC 4093712 HIBXQPGUMFYCLO-LCYFTJDESA-N 323.439 3.363 10 40 DGCB OCC1CCN(c2ccc(CNc3cccc(F)n3)cc2)CC1 57139343 XSQQHWFPZUFOSI-UHFFFAOYSA-N 315.392 3.042 10 40 DGCB Cc1cc(O)c(/C=C2\SC(=S)N(C)C2=O)c(C)c1Cl 33314217 GSFJGVKXBILFNU-YHYXMXQVSA-N 313.831 3.493 10 40 DGCB CCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12 2350716 JFOXFEBHWQQLAQ-UHFFFAOYSA-N 301.386 3.355 10 40 DGCB COc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1C 12918598 UBMRHRSROMVDMZ-UHFFFAOYSA-N 324.424 3.420 10 40 DGCB CCN(CC)c1ccc(CNC(=O)Cc2cccs2)cc1 79390045 WSCWDIBVGNFICN-UHFFFAOYSA-N 302.443 3.453 10 40 DGCB COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2)c1O 4291774 AAUCLQIPNKMGQU-AWEZNQCLSA-N 302.761 3.493 10 40 DGCB O=C1/C(=C/c2ccncc2)SC(=S)N1Cc1ccccc1 37865590 DTCONVUMFNKVFF-UVTDQMKNSA-N 312.419 3.483 10 40 DGCB COc1ccccc1C[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 225471206 IBTBUWBZTOXMHT-SFHVURJKSA-N 324.424 3.054 10 40 DGCB O=C1Nc2ccccc2/C1=C/c1ccc(N2CCOCC2)cc1 3262621 FWFISWZSIAJQSO-LGMDPLHJSA-N 306.365 3.016 10 40 DGCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2C)SC1=S 27530420 LWOCLZPLNOKPDH-OYGDSYQHSA-N 321.423 3.059 10 40 DGCB C[C@H](NCc1cccc(O)c1)c1ccc(N2CCOCC2)cc1 69849183 JWMFBWRGDNVFDS-HNNXBMFYSA-N 312.413 3.080 10 40 DGCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1C[C@@H]1CCCO1 409086419 DRRNEGBZSIEUKF-JSZJVUKYSA-N 321.423 3.216 10 40 DGCB COc1ccc2c(c1)c(=O)oc1cc(O[C@H](C)C(C)=O)ccc12 4747360 ICGXEWJKAOHEOE-LLVKDONJSA-N 312.321 3.311 10 40 DGCB biogenic Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(O)cc1F 95468574 YTHNCYFGSBUVNB-UHFFFAOYSA-N 315.753 3.294 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 17115848 SECZQLWPZRXQDK-UHFFFAOYSA-N 311.429 3.137 10 40 DGCB COc1ccc(O)c([C@H](C)NCCCCn2ccnc2C)c1 97033262 LPMHQZGTYSQYFB-ZDUSSCGKSA-N 303.406 3.037 10 40 DGCB CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 409075897 YYXRZALYZQCJTM-UKTHLTGXSA-N 306.362 3.092 10 40 DGCB Cc1noc(C(C)C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 21705736 YYPGFBSKDYYRLE-UHFFFAOYSA-N 315.417 3.445 10 40 DGCB Cc1cnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 21963552 FLOPQENRGTUQNH-UHFFFAOYSA-N 324.428 3.048 10 40 DGCB CN(C)c1ccc(CNC(=O)Nc2cc(F)ccc2F)cc1 53984432 PTZCQDLYJYTTSX-UHFFFAOYSA-N 305.328 3.353 10 40 DGCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1O 9867210 OEWRCZAEJIUDRE-KRWDZBQOSA-N 310.353 3.130 10 40 DGCB CCCCN(C)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 1780053 SLFDRGRERSTFEY-UHFFFAOYSA-N 301.386 3.219 10 40 DGCB biogenic O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(O)c1 13282862 OZCASDSYBQKLDJ-JYRVWZFOSA-N 314.391 3.193 10 40 DGCB CCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 48354833 KGNJKWASZFZODW-KBPBESRZSA-N 322.424 3.246 10 40 DGCB Cc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 4589585 NWXXQLZGOPJPFQ-JRMKUJCASA-N 316.426 3.075 10 40 DGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 5283364 BMKBKPCRJPSXBM-WMZJFQQLSA-N 315.181 3.100 10 40 DGCB COc1cc(CN[C@@H]2CCN(C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 585093618 NRGIZYSLKGNLLS-UKRRQHHQSA-N 320.477 3.271 10 40 DGCB CCN(CC)c1ccc(CNS(=O)(=O)c2cccs2)cc1 56105713 TURVMOLYRXHJKF-UHFFFAOYSA-N 324.471 3.073 10 40 DGCB CSCCCN1C(=O)/C(=C/c2ccccn2)SC1=S 96019516 QNHOAUXYPOOJQU-LUAWRHEFSA-N 310.469 3.036 10 40 DGCB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2O)N[C@@H]1c1ccccc1O 97977079 KRXSFOJTJIEHNA-FRVJLOGJSA-N 311.381 3.325 10 40 DGCB COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2)c1O 4291775 AAUCLQIPNKMGQU-CQSZACIVSA-N 302.761 3.493 10 40 DGCB O=C(O)C/C=C/c1ccc(N(CCCl)CCCl)cc1 5161807 PXOQTPQOIMSYSF-OWOJBTEDSA-N 302.201 3.459 10 40 DGCB in-vitro CN(C)c1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1 49168799 RGPCGUJZMSSSOP-HNNXBMFYSA-N 321.428 3.013 10 40 DGCB biogenic,in-vitro CC(=O)c1ccc(-c2ccc(C(=S)N3CCOCC3)o2)cc1 27018354 YUBAHGORJFVFGR-UHFFFAOYSA-N 315.394 3.157 10 40 DGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccn1 101114104 FYWLRHKDJZURCP-GXDHUFHOSA-N 312.760 3.454 10 40 DGCB CCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 107672682 MYFNBXIDVMXPFI-WQLSENKSSA-N 309.412 3.012 10 40 DGCB CCc1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1 368472 WCMUWGLMXGZGAK-SFQUDFHCSA-N 306.365 3.019 10 40 DGCB CCCN1C(=O)/C(=C/c2ccc(OC(C)=O)cc2)SC1=S 409352761 ZCMIXNQXXJPYFV-LCYFTJDESA-N 321.423 3.223 10 40 DGCB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cccnc1 7586185 CPKFXTBOOGVGIM-XYOKQWHBSA-N 309.756 3.389 10 40 DGCB COc1cccc2ccc(/C=C3\SC(=S)N(C)C3=O)nc12 54360841 RMCKGHOYOMUUHO-WQLSENKSSA-N 316.407 3.074 10 40 DGCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)cc1 16428394 XZAGFZZOIWZDSU-UHFFFAOYSA-N 306.749 3.115 10 40 DGCB Cc1nc(C)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)o1 20437101 XSNTVVWVGMKJPT-UHFFFAOYSA-N 314.341 3.036 10 40 DGCB CCO/C(O)=C1\SC(c2cccc(C(F)(F)F)c2)=NC1=O 100328642 VOXKCQDOTOJJPH-XFXZXTDPSA-N 317.288 3.489 10 40 DGCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1C 408938281 PUSFNYCMPAYAET-SFQUDFHCSA-N 304.349 3.437 10 40 DGCB CN(C)c1ccc(/C=C(/C(N)=O)c2nc3ccccc3s2)cc1 33368977 MEYAXXGRXLKXGZ-KAMYIIQDSA-N 323.421 3.388 10 40 DGCB O=C1C(=Cc2ccccc2)SC(=S)N1CN1CCCCC1 2049236294 LDWASJGGRWSMIX-UHFFFAOYSA-N 318.467 3.331 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 102580635 XJUFJVQNPISTMC-LFIBNONCSA-N 321.336 3.103 10 40 DGCB CCn1cnc2cc(NCc3cccc(OCCO)c3)ccc21 19578319 DCTHBJMFPLKTTN-UHFFFAOYSA-N 311.385 3.039 10 40 DGCB Oc1ccccc1CNc1cc(NCc2ccccc2O)ncn1 95920814 XTLGIBKGPXLOFA-UHFFFAOYSA-N 322.368 3.112 10 40 DGCB in-vitro COc1cccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c1 97105093 HSXAFCMVCMYZJO-QGZVFWFLSA-N 310.353 3.098 10 40 DGCB COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1 333173 AZESONXFMWKZCC-LDADJPATSA-N 306.365 3.497 10 40 DGCB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1O 6590530 LBOVWPLMBQLZRQ-KRWDZBQOSA-N 324.380 3.489 10 40 DGCB O=C1/C(=C\c2ccc(O)cc2)C(O)=NC(=S)N1c1ccccc1 38185283 XKSKZIGHCDAODD-UVTDQMKNSA-N 324.361 3.064 10 40 DGCB Cc1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1 181219 YIFJEIOPTBNBBW-UHFFFAOYSA-N 312.321 3.475 10 40 DGCB biogenic Cn1cccc1/C=C1/SC(Nc2cccc(F)c2)=NC1=O 5374424 TWDXOXFRZIZLRU-UKTHLTGXSA-N 301.346 3.247 10 40 DGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(C)c2)SC1=S 8325779 NZNCPQMVKMWZBQ-SERMCNLOSA-N 321.423 3.059 10 40 DGCB Cc1cc(O)nc2c(/N=N/c3ccc(Cl)cc3)c(N)nn12 3849335 VYMIKQJFVABPJD-ISLYRVAYSA-N 302.725 3.394 10 40 DGCB COc1cc(Br)cc(CNCc2ccco2)c1O 69599339 IJCKATNDQZZZCS-UHFFFAOYSA-N 312.163 3.046 10 40 DGCB Cc1ccc(O)c(C2=NN[C@@H](c3ccc(Br)o3)C2)c1 950331 IELLEXKXNKGVJK-LLVKDONJSA-N 321.174 3.495 10 40 DGCB COCCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 6190019 LMGWBJVIIAZJMU-JLHYYAGUSA-N 307.440 3.233 10 40 DGCB CC(C)(C)OC(=O)N1CCC(Nc2c(N)cccc2F)CC1 67800609 RAIMFQIBWKLBDE-UHFFFAOYSA-N 309.385 3.219 10 40 DGCB C[C@H]1CCCN(C2=NC(=O)/C(=C/c3cccc(O)c3)S2)C1 550427 JMNDQHVRZLWUJG-HOXUKUGESA-N 302.399 3.094 10 40 DGCB C[C@H]1CN(Cc2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 13060049 PCCVHSWUQGFJHE-PHIMTYICSA-N 306.793 3.203 10 40 DGCB COc1ccccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 100296156 GRYZFJGULDNDRN-NTCAYCPXSA-N 307.353 3.414 10 40 DGCB O=C1N=C(O)/C(=C\C=C\c2ccccc2)C(=O)N1Cc1ccco1 451621 OLQILXDIRKPXFU-JBZDNPHWSA-N 322.320 3.338 10 40 DGCB O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H](C(F)(F)F)C2)c1 69527866 NOMIDKAFOMBAEY-JTQLQIEISA-N 304.268 3.075 10 40 DGCB O=C(CN1CCOCC1)Nc1ccc(/N=N/c2ccccc2)cc1 21822376 QXJPOQLVKPVYJS-QZQOTICOSA-N 324.384 3.373 10 40 DGCB O=C1/C(=C\c2ccco2)C(O)=NC(=S)N1c1ccc(F)cc1 1260222 IAYFTVLDDWMEDT-WQLSENKSSA-N 316.313 3.090 10 40 DGCB OCCNCCNc1c2ccccc2nc2cc(Cl)ccc12 4428561 NECKSCNRKKDNBP-UHFFFAOYSA-N 315.804 3.035 10 40 DGCB COc1ccc2c(c1)c(=O)oc1cc(O[C@@H](C)C(C)=O)ccc12 4747357 ICGXEWJKAOHEOE-NSHDSACASA-N 312.321 3.311 10 40 DGCB biogenic Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)o1 1255218 AKWLWLXSBLWIHJ-KPKJPENVSA-N 302.380 3.389 10 40 DGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 27857800 FXAUIJBOQIUQDN-YJBOKZPZSA-N 312.413 3.391 10 40 DGCB COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1F 96891403 VZXFBINQEIEZNE-GXDHUFHOSA-N 320.389 3.291 10 40 DGCB COc1cccc(CNCc2cc(Br)ccc2O)c1 40477062 HXVUKUIKYSGAHY-UHFFFAOYSA-N 322.202 3.453 10 40 DGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(O)c1 100148820 USHOTBAQBQLFQU-MHWRWJLKSA-N 311.316 3.250 10 40 DGCB N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2Sc3ccccc3N12 5370029 PTQNZCBHLFGDAJ-XNNMEOQWSA-N 321.361 3.261 10 40 DGCB O=C1NC(=S)S/C1=C\c1ccc(OC(F)(F)F)cc1 10272197 ZQPPNIWVGZZPJT-YVMONPNESA-N 305.302 3.074 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\N1CCc2ccccc2C1 32032378 OIENSYMUWRSKOI-RGEXLXHISA-N 317.392 3.351 10 40 DGCB CC(=O)O[C@@H]1C=CC[C@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]12 104082540 SNPUCAVGMTZVGE-OLMNPRSZSA-N 320.344 3.343 10 40 DGCB CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1nccs1 58401480 FEPHBIKLPLWVEP-MDZDMXLPSA-N 315.442 3.271 10 40 DGCB O=C(NCCCSc1nccs1)N1C[C@H]2CCC[C@H]2C1 95413623 CSVMRCMUKPUPLG-TXEJJXNPSA-N 311.476 3.067 10 40 DGCB COc1ccccc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1O 71792491 KWERDVPEYGOYRM-NSHDSACASA-N 302.330 3.160 10 40 DGCB CCC[C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 69602013 GYRZXJOTEGIENH-CQSZACIVSA-N 304.434 3.216 10 40 DGCB Oc1ccc(Br)cc1[C@H]1CC(c2ccco2)=NN1 16789754 RKFUSMFSMSYLMO-SNVBAGLBSA-N 307.147 3.186 10 40 DGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(F)c1 573259 QCSQRTFALMXJMX-DHDCSXOGSA-N 317.360 3.154 10 40 DGCB CN(C)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 32914711 LODICBYZTIWPRW-UHFFFAOYSA-N 323.440 3.283 10 40 DGCB O=C1O/C(=C2/C=C(c3ccccc3)OC2=O)C=C1c1ccccc1 1718656 IOQSLFCWWXRNAB-VLGSPTGOSA-N 316.312 3.479 10 40 DGCB Cc1ccc(C2=NN[C@@H](c3cc([N+](=O)[O-])ccc3O)S2)cc1 35189296 SKFMBVBJQDLJBF-OAHLLOKOSA-N 315.354 3.306 10 40 DGCB CN(C)c1ccc(/C=C2/N=C(Cc3ccccc3)OC2=O)cc1 253433897 BGHABOJRQSCXQQ-SFQUDFHCSA-N 306.365 3.292 10 40 DGCB COc1cc2c(cc1OC)[C@H](c1ccc(N(C)C)cc1)NCC2 128188 NCRQQAJAESRBPY-IBGZPJMESA-N 312.413 3.005 10 40 DGCB biogenic,in-vitro CN(Cc1ccc(N2CCCCC2)cc1)c1ncc(F)cn1 95972386 FIEQIANLCNQFAJ-UHFFFAOYSA-N 300.381 3.242 10 40 DGCB CN(C)c1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)cc1 100035946 IETWCRRCPURZOC-NXVVXOECSA-N 305.359 3.415 10 40 DGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccco2)SC1=S 409202402 RWGCMKSUJBMSIF-XYOKQWHBSA-N 304.396 3.235 10 40 DGCB C[C@H](CN1CCCC1=O)NCc1cc(-c2ccccc2)ccc1O 71792547 FZGJTGUYLPKELE-OAHLLOKOSA-N 324.424 3.160 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 100927416 MZGUOJVYIFDSCY-WJDWOHSUSA-N 321.336 3.103 10 40 DGCB O=C(O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 3646169 ZSKDVJYWOHBGNI-UHFFFAOYSA-N 312.277 3.027 10 40 DGCB biogenic,in-vitro CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(C)C 40942131 QJRITDXEYHOJKR-JYRVWZFOSA-N 323.439 3.361 10 40 DGCB CCOc1cccc(CNc2ccc(C(=O)OC)cc2)c1O 44836397 SMUQWZHADKQHSU-UHFFFAOYSA-N 301.342 3.190 10 40 DGCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)NC2=O)cc1OC 409332361 QWAKNKKAMYYARV-ITTMYVLYSA-N 323.439 3.361 10 40 DGCB CCOc1ccc2nc(/N=N/C(C(C)=O)C(C)=O)sc2c1 100346032 JFPHQUYDPNVDHM-WUKNDPDISA-N 305.359 3.325 10 40 DGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1 100147547 XVQIMXCPWMKAOY-LFIBNONCSA-N 306.321 3.191 10 40 DGCB CN(c1ccc(CNC(=O)[C@@H]2CCOC2)cc1)C1CCCCC1 63698745 UNULBGWXJIHJKF-MRXNPFEDSA-N 316.445 3.108 10 40 DGCB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCC1 44085603 LWTZTVHGJDJGEZ-UHFFFAOYSA-N 315.442 3.285 10 40 DGCB Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 5349083 JLBWQSBAGBBIEY-UHFFFAOYSA-N 302.341 3.141 10 40 DGCB COc1ccc(C2=NN[C@H](c3cc(Cl)ccc3O)C2)cc1 540264 BEYRXDAXFPIQOD-HNNXBMFYSA-N 302.761 3.493 10 40 DGCB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(N(C)C)cc1 58268748 KSQXWVOZPMSIDR-INIZCTEOSA-N 311.385 3.433 10 40 DGCB CC(C)OC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 5374671 BICQQLSVEXRNFJ-WQLSENKSSA-N 321.423 3.083 10 40 DGCB COc1ccc2sc(C3C(=O)c4ccccc4C3=O)nc2c1 100487778 HZOLXQHETJPMNM-UHFFFAOYSA-N 309.346 3.468 10 40 DGCB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(N(C)C)cc1)N2 267819 WKBADRCCZOOYME-AWEZNQCLSA-N 301.415 3.285 10 40 DGCB Clc1cc(N2CCNCC2)ccc1OCc1ccccc1 59569849 GMWFVNNUKZUKHT-UHFFFAOYSA-N 302.805 3.329 10 40 DGCB in-vitro C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccccc2O)N[C@@H]1c1ccccc1O 97977080 KRXSFOJTJIEHNA-GNTOHDJUSA-N 311.381 3.325 10 40 DGCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(C)C 1159687 SWONTRKZESPSSW-MDWZMJQESA-N 323.439 3.313 10 40 DGCB O=C1/C(=C/c2ccco2)C(O)=NC(=S)N1c1ccc(F)cc1 1260221 IAYFTVLDDWMEDT-XYOKQWHBSA-N 316.313 3.090 10 40 DGCB Cc1csc2[n+]1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)S2 1636461 SJEGRZPVNHDFFB-WDZFZDKYSA-N 305.360 3.039 10 40 DGCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCCC1 31164594 SZVIYKXDUUADPC-UHFFFAOYSA-N 303.450 3.474 10 40 DGCB C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)OCCO2 43288567 OTHFYGVOGPJGEA-CYBMUJFWSA-N 311.381 3.244 10 40 DGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 13773756 PYPWGJFDFKPITE-WJDWOHSUSA-N 307.309 3.401 10 40 DGCB CCC[C@H]1Cc2nc3sc(C(=O)OCC)c(N)c3cc2CO1 5324884 CTOHTVYOJKTIIF-JTQLQIEISA-N 320.414 3.297 10 40 DGCB CC[C@H](NC1CCN(C(=O)OC(C)C)CC1)c1ccccc1O 156554114 ILEHGQLFAPBSEB-INIZCTEOSA-N 320.433 3.442 10 40 DGCB COc1ccc(C2=C/C(=C\c3cccnc3)C(=O)O2)cc1OC 8574631 AVJRIQKEHHLDBR-RIYZIHGNSA-N 309.321 3.080 10 40 DGCB CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N\N(C)C)c1 104215322 WFFVOYIYKQPAFS-MRCUWXFGSA-N 319.800 3.084 10 40 DGCB Nc1ncnc2[nH]c(/N=N\c3c(O)ccc4ccccc34)nc12 104334459 MNAOWHXKCJFRGT-DQRAZIAOSA-N 305.301 3.209 10 40 DGCB CCN1C(=O)/C(=C\C=C/c2ccc(OC)cc2)SC1=S 33678847 AYIXBONFEYZKDO-VRPUZZSBSA-N 305.424 3.473 10 40 DGCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1Cc1ccccc1 1140178 NPPBOBDSBLDKFN-LCYFTJDESA-N 300.408 3.416 10 40 DGCB CCOC(=O)[C@@H](C)C1(c2ccccc2)C(=O)c2ccccc2C1=O 5459536 HGCVSKXRMCLIMT-CYBMUJFWSA-N 322.360 3.203 10 40 DGCB COc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)c(O)c1 19291077 CQSLYDGDCOVHIS-QGZVFWFLSA-N 315.417 3.252 10 40 DGCB Cc1cc(CN2C[C@@H]3CCCN3C[C@H]2C)c(C)n1-c1ccccn1 19567607 GBAPYUJUACOORU-APWZRJJASA-N 324.472 3.158 10 40 DGCB CCOc1c(/N=N/c2ccccc2OC)c(C)nn1C(N)=S 104237570 WTQVDPLSIJLXIR-WUKNDPDISA-N 319.390 3.106 10 40 DGCB Cc1n[n+](-c2ccc(Br)cc2)c(O)c2ccccc12 101456448 XQMYCQQCDKDZGI-UHFFFAOYSA-O 316.178 3.288 10 40 DGCB CN(C)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 126637 LOFBQDMODQNQPO-WJDWOHSUSA-N 310.328 3.236 10 40 DGCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 1190157 PDOGOEDPPLYLKG-FMNNIJNLSA-N 323.414 3.206 10 40 DGCB O=C1NC(=S)S/C1=C\c1cc(Cl)c2ccccc2n1 12289313 WSOVWILBYGJLMV-WDZFZDKYSA-N 306.799 3.377 10 40 DGCB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1O 58440651 DKHCKFLFLHMFDW-LLVKDONJSA-N 305.761 3.129 10 40 DGCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1C 58865809 QXXLVTQTHNWMRS-UHFFFAOYSA-N 316.353 3.147 10 40 DGCB Oc1ccc(-c2csc(NCCc3ccccn3)n2)cc1O 58245052 KYQYZMJGAKPJSB-UHFFFAOYSA-N 313.382 3.271 10 40 DGCB O=C1/C(=C\c2cccnc2)SC(=S)N1Cc1ccco1 1220103 RCSBRBMXPZDRNQ-KPKJPENVSA-N 302.380 3.076 10 40 DGCB in-vitro O=C1OC(c2ccccc2)OC(=O)C1=C/C=C/c1ccccc1 170216 LGYJWRYIFAPBQE-DOSQDUBCSA-N 306.317 3.425 10 40 DGCB CN(C)c1ccc([C@H]2NC(=O)c3c(sc4c3CCC4)N2)cc1 523155 HLQSCJLRSCYTCH-HNNXBMFYSA-N 313.426 3.157 10 40 DGCB C[C@H](Sc1nccs1)C(=O)NCCc1ccc(F)cc1 48874348 FDUGVXQREIETTM-JTQLQIEISA-N 310.419 3.122 10 40 DGCB CCOC(=O)CC1(c2cccc(C)c2)C(=O)c2ccccc2C1=O 408734586 YTYKZBKJUSIRBX-UHFFFAOYSA-N 322.360 3.265 10 40 DGCB O=C1N=C(O)/C(=C\C=C\c2ccco2)C(=O)N1Cc1ccccc1 450305 IWSCRHCKSMAHNO-JBZDNPHWSA-N 322.320 3.338 10 40 DGCB CSc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 58865961 SXUUGMUJUGWFBS-UHFFFAOYSA-N 304.367 3.162 10 40 DGCB COC(=O)c1ccccc1/N=N\Nc1ccccc1C(=O)OC 16954072 UDQMIPNCOGNAGF-UHFFFAOYSA-N 313.313 3.371 10 40 DGCB O=C(NCc1ccc(N2CCSCC2)cc1)C1CCCCC1 54035230 JIEUCMBLNQUYQD-UHFFFAOYSA-N 318.486 3.436 10 40 DGCB O=C(NCCCSc1nccs1)N1C[C@H]2CCC[C@@H]2C1 95413624 CSVMRCMUKPUPLG-VXGBXAGGSA-N 311.476 3.067 10 40 DGCB CC(=O)NN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 3351904 JLWRLSPZJRCNQH-MDWZMJQESA-N 320.439 3.062 10 40 DGCB COc1ccccc1/C=C1/SC(Nc2cccnc2)=NC1=O 35638325 HBBHSAAAMBWCGU-NTEUORMPSA-N 311.366 3.173 10 40 DGCB COc1ccc2[nH]cc(/C=C3/SC(=S)N(C)C3=O)c2c1 36559478 OYDKARIDIYZMEC-LFYBBSHMSA-N 304.396 3.008 10 40 DGCB O=C1CCCN1c1ccc(CNCc2ccc3c(c2)CCO3)cc1 43288815 RRPNODWKOQXMQP-UHFFFAOYSA-N 322.408 3.038 10 40 DGCB CCCCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C 409193441 CRDIISQSCYSRRU-RAXLEYEMSA-N 305.399 3.221 10 40 DGCB