smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 5201080 RSVZWEALNJURII-JXMROGBWSA-N 317.357 3.927 10 40 DHCB CN(C)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccncc2)cc1 40057787 LGELLDVVGYIBGR-QPGLYAHGSA-N 321.424 3.525 10 40 DHCB Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccccc1Br 20285431 ILZYDOFZBLHCJS-BQYQJAHWSA-N 320.186 3.954 10 40 DHCB CN(C)c1ccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 49169047 YHUMLFGNNTWGAQ-INIZCTEOSA-N 320.440 3.618 10 40 DHCB biogenic,in-vitro Cc1ccc(/N=N/c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 9096108 IEXQLEGURXRJPQ-DBGWUYGASA-N 309.325 3.990 10 40 DHCB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 5129624 ZLJOJODCTQNUBE-GXDHUFHOSA-N 312.419 3.796 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)cc1O 55121103 WZGMBILUPLRELY-MFOYZWKCSA-N 322.364 3.521 10 40 DHCB Cc1nn(C)cc1CN(Cc1ccccc1O)C1CCCCC1 95453775 BIERYYLCQIPMKV-UHFFFAOYSA-N 313.445 3.769 10 40 DHCB COC(=O)c1sc2c(cnc3cc(Cl)c(OC)cc32)c1O 64874614 WKLPRASJVUPCFY-UHFFFAOYSA-N 323.757 3.604 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 12403924 YJCRUYAVDCDVCD-AQTBWJFISA-N 305.381 3.559 10 40 DHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)c2ccccc12 28344639 WEZBYWFTFQHQLE-UHFFFAOYSA-N 321.424 3.517 10 40 DHCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)CC1 530870 JKAXHFLBYANARA-UVTDQMKNSA-N 304.390 3.528 10 40 DHCB FC(F)Oc1ccc2c(c1)CCCN2Cc1noc(C2CC2)n1 65597914 RKKJTQRCYCOGFW-UHFFFAOYSA-N 321.327 3.501 10 40 DHCB Cc1ccccc1N1C(=O)/C(=C/c2ccccn2)SC1=S 1238009 UIDNFTZJUYDIIZ-UVTDQMKNSA-N 312.419 3.796 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(O)c(C)c1 106316853 XFABVSRNUOJSGL-GZTJUZNOSA-N 306.365 3.815 10 40 DHCB Nc1nn2cc3c(nc2c1/N=N/c1ccc(Cl)cc1)CCC3 16958956 HTTPMVXMOFJCSV-FMQUCBEESA-N 312.764 3.869 10 40 DHCB COc1cccc(/N=N\c2c(C)nn(C(=S)S)c2C)c1 104225384 CVRFEZSIIUTYPC-PFONDFGASA-N 306.416 3.987 10 40 DHCB Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2)c(Cl)c1 227158535 CYENKNWKFIONLY-UHFFFAOYSA-N 304.777 3.557 10 40 DHCB CCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21 2242405 LTVSJAQANUCADC-UHFFFAOYSA-N 311.385 3.773 10 40 DHCB C[C@H]([C@@H](O)c1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 4468872 ZLTQIYWKLSDOQZ-SMEKNTMXSA-N 314.345 3.647 10 40 DHCB CN(C)Cc1cc(/N=N/c2ccccc2)cc(CN(C)C)c1O 6005906 JCIFNCVBECKXEV-FMQUCBEESA-N 312.417 3.931 10 40 DHCB FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cscn1 95350089 KDFXJPVMXCKWOB-UHFFFAOYSA-N 314.332 3.995 10 40 DHCB COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccccc1O 2317101 KNFDYXGBHBLYHO-OAHLLOKOSA-N 307.286 3.989 10 40 DHCB COc1ccc(/N=N/c2c(N)nn(-c3ccccc3)c2O)cc1 16768761 ZTVVHFLMCRXPBZ-VHEBQXMUSA-N 309.329 3.584 10 40 DHCB COc1ccc(C2=C/C(=C/c3ccc(C)c(OC)c3)C(=O)O2)cc1 199919 AKCGYADDWCBLSA-YBEGLDIGSA-N 322.360 3.994 10 40 DHCB Cc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 274771 HAMFMXZNSQFJLM-NTCAYCPXSA-N 300.427 3.841 10 40 DHCB O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(O)c(O)c2)cs1 83015917 UIFBMKPTFPAUAZ-UHFFFAOYSA-N 314.322 3.797 10 40 DHCB CN(C)c1ccc(/N=N/c2ccc(C(=O)O)c(C(=O)O)c2)cc1 5737783 DIOQLHNBZFGXRP-ISLYRVAYSA-N 313.313 3.564 10 40 DHCB O=c1c(-c2ccccc2)coc2c(CN3CCCC3)c(O)ccc12 20357568 KNUBLUWOFCGKRZ-UHFFFAOYSA-N 321.376 3.761 10 40 DHCB biogenic Cc1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 37865615 NYAQEGQTPLOURV-UVTDQMKNSA-N 312.419 3.796 10 40 DHCB c1ccc2c(NCc3ccc(N4CCCC4)cc3)ncnc2c1 29625230 HQYLOWGJLOBHPU-UHFFFAOYSA-N 304.397 3.842 10 40 DHCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1 17175697 NZHCFKTUYOZTCO-GZTJUZNOSA-N 322.364 3.510 10 40 DHCB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 7886431 VVBRECIRPRGPCD-GOSISDBHSA-N 309.413 3.729 10 40 DHCB Cc1cc(C=O)c(C)n1-c1ccc(OCc2cccnc2)cc1 8702337 VISFCBJZTKKYJL-UHFFFAOYSA-N 306.365 3.881 10 40 DHCB CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)s3)=NN2)cc1 1554502585 PODACJJHZWNNBG-LBPRGKRZSA-N 305.834 3.906 10 40 DHCB CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 15134692 XZRMPWMKLDRGFX-UHFFFAOYSA-N 314.454 3.623 10 40 DHCB COc1ccc(/C=C/C=C2\SC(=S)N(C(C)C)C2=O)cc1 225391812 JODBMBRJDNPUPW-VJDVQFHISA-N 319.451 3.861 10 40 DHCB Cc1ccc(O)c(/N=N/c2cc([N+](=O)[O-])ccc2[N+](=O)[O-])c1 4583036 IJAZUBXXBFEHGB-CCEZHUSRSA-N 302.246 3.932 10 40 DHCB O=C1N=C(c2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 32221148 NHGQGAQKVJDQQJ-GXDHUFHOSA-N 310.334 3.656 10 40 DHCB Cc1ccsc1/C=C1/SC(N2CCC[C@H](C)C2)=NC1=O 3636033 AYOMMTVPKBYFPR-XNFYSYIQSA-N 306.456 3.759 10 40 DHCB O=C1CCC(c2cc(Cl)ccc2O)=NN1c1ccccc1 5603865 ZJHPMGAUGXXLMR-UHFFFAOYSA-N 300.745 3.577 10 40 DHCB Cc1ccc(NC(=S)NCCN(C)c2ccccc2)c(C)c1 16704935 AJRXSSQQBPJGFR-UHFFFAOYSA-N 313.470 3.726 10 40 DHCB Nc1nc(-c2ccccc2/N=N\N2CCCC2)nc2ccccc12 104143247 MPVUVXGYWCUFOB-FCQUAONHSA-N 318.384 3.974 10 40 DHCB CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S 83312744 LGKAVWOPNXARKB-TWGQIWQCSA-N 303.330 3.536 10 40 DHCB Cc1cc(C)n2nc(N)c(/N=N/c3ccc(Cl)cc3)c2n1 101811554 AFJLACUIYWFSSW-VHEBQXMUSA-N 300.753 3.997 10 40 DHCB O=C(O)[C@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@H]2C=CC[C@@H]12 5024519 ANQJNJFYWVQYNR-CVJICSNFSA-N 317.694 3.897 10 40 DHCB Cc1cc2n(n1)[C@H](c1ccc(O)cc1O)Nc1c(C)cccc1-2 818095 XZMUBUVAESNSBA-GOSISDBHSA-N 307.353 3.551 10 40 DHCB CCOc1ccc([C@@H]2CC(c3cc(C)cc(C)c3O)=NN2)cc1 4423345 NJDWGKNBNKSHSM-KRWDZBQOSA-N 310.397 3.846 10 40 DHCB Cc1cc(C(=O)O)c(C)n1-c1ccc(Br)cc1F 19803699 IPNCZQYYBCQQQB-UHFFFAOYSA-N 312.138 3.694 10 40 DHCB CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 584908368 USFUWPIYKAZVQY-CYBMUJFWSA-N 301.386 3.650 10 40 DHCB [N-]=[N+]=NCCCCCCCCN1C(=O)c2ccccc2C1=O 1772716533 BJAMRLBQQAUUNO-UHFFFAOYSA-N 300.362 3.934 10 40 DHCB Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1 38233 RYIVINSSPOAIBA-UHFFFAOYSA-N 314.404 3.902 10 40 DHCB CC(C)OC(=O)c1sc2nc(-c3cccnc3)ccc2c1N 497532 HETMEJHVBUOBDF-UHFFFAOYSA-N 313.382 3.506 10 40 DHCB O=C(NCc1ccccc1O)c1cccc2c3c([nH]c12)CCCC3 69380974 WVDDMZSQVXJSNL-UHFFFAOYSA-N 320.392 3.682 10 40 DHCB COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 409034556 HMBICTXFWRMNDX-JYRVWZFOSA-N 307.440 3.552 10 40 DHCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccccc1F 1158251 VKEJFWMIOPJSCQ-LCYFTJDESA-N 316.382 3.627 10 40 DHCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccccc1F 1745779 YLIRXJUJPQJXMD-JYRVWZFOSA-N 316.382 3.627 10 40 DHCB O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccccc1 3065301 AWNIIYIQMZGLMO-UHFFFAOYSA-N 316.407 3.611 10 40 DHCB CCOc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 28332457 SSOOWAAHWICMGY-UHFFFAOYSA-N 324.424 3.616 10 40 DHCB COCCNCc1cc(C)n(-c2ccc(Cl)cc2C)c1C 223672867 XQBNOCXDKUPSTK-UHFFFAOYSA-N 306.837 3.792 10 40 DHCB CCC(=O)N[C@@H](c1ccc(C)cc1)c1ccc2cccnc2c1O 102650 VINGTFWNMOXCNQ-SFHVURJKSA-N 320.392 3.864 10 40 DHCB Oc1ccc(Br)cc1CN[C@@H]1CCc2ccccc21 40477079 ZNNYXCVAYMTYEI-OAHLLOKOSA-N 318.214 3.932 10 40 DHCB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1ccc(O)cc1O)N2 817727 IEIUYDSBEQOTMC-GOSISDBHSA-N 307.353 3.551 10 40 DHCB CCN1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)SC1=S 409338710 OUDQBTTXHUCEDT-NTEUORMPSA-N 316.451 3.708 10 40 DHCB CCn1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O 4728907 DXULBXFDNUNQJO-SDNWHVSQSA-N 319.408 3.653 10 40 DHCB Oc1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1O 14181835 PVDXIDIRAGJYSR-UHFFFAOYSA-N 316.357 3.973 10 40 DHCB Cc1ccccc1/C=C1\SC(Nc2ccc(O)cc2)=NC1=O 5589895 GMEGSACOXHAVDM-GDNBJRDFSA-N 310.378 3.783 10 40 DHCB COc1ccc(N2CCCC2)c(NC(=O)c2cccs2)c1 8904571 VUTCYRIBGQHTJU-UHFFFAOYSA-N 302.399 3.609 10 40 DHCB Cc1ccccc1/C=C1/SC(=S)N(Cc2ccco2)C1=O 35038691 RCQKFYDBLLYRCZ-NTEUORMPSA-N 315.419 3.989 10 40 DHCB Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 226238539 RZHKHJZAMZEVCY-UHFFFAOYSA-N 321.405 3.549 10 40 DHCB COc1ccccc1/C=C1/C(=O)N(c2cccc(F)c2)N=C1C 5007294 AWNRBOOCRABJEZ-MHWRWJLKSA-N 310.328 3.640 10 40 DHCB COCCNCc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 223673867 YHDBTDHYLKSOJK-UHFFFAOYSA-N 306.837 3.792 10 40 DHCB Cc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1232246 DGCDZKUPWQBPEB-LCYFTJDESA-N 301.392 3.994 10 40 DHCB CN(C)c1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 17014649 HBAWWNWQLGRCOK-BJMVGYQFSA-N 308.341 3.708 10 40 DHCB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1 227147933 YIYDHAGHCHNNGP-UHFFFAOYSA-N 304.777 3.718 10 40 DHCB Cc1noc(C)c1CNCc1cc(Cl)cc(Cl)c1O 71792560 VQXIWKLBSCSEFW-UHFFFAOYSA-N 301.173 3.594 10 40 DHCB Cc1cc(O)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1 100924978 KDJOLMKDVMYETN-UHFFFAOYSA-N 324.409 3.879 10 40 DHCB Cn1cccc1/C=C1/SC(=S)N(c2ccccc2F)C1=O 2414809 ZPYKMDUWGBUBMI-UKTHLTGXSA-N 318.398 3.570 10 40 DHCB CCN(CC)C(=O)c1ccc(-n2c(C)cc(C(C)=O)c2C)cc1 225326995 OWRAUACYHFZKPW-UHFFFAOYSA-N 312.413 3.779 10 40 DHCB CCC1(c2ccc3ccccc3n2)C(=O)c2ccccc2C1=O 408733231 GQVYBPGPVZLQQX-UHFFFAOYSA-N 301.345 3.962 10 40 DHCB COc1ccc(/C(C)=C2/C(=O)N(c3ccccc3)N=C2C)cc1 13881519 SXNUSBFIUZRCSL-QGOAFFKASA-N 306.365 3.891 10 40 DHCB CCN1C(=O)/C(=C/c2cc(C)n(C(C)C)c2C)SC1=S 108026074 HFBXDUBWXHKWJH-JYRVWZFOSA-N 308.472 3.907 10 40 DHCB O=C1c2ccccc2C(=O)c2c(Nc3ccc(O)cc3)cccc21 140475648 OCVSIIQVYUIGSL-UHFFFAOYSA-N 315.328 3.911 10 40 DHCB CN(C)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 8170715 ZVDHBKYUHWENAU-UHFFFAOYSA-N 310.441 3.980 10 40 DHCB CCc1ccc(NS(=O)(=O)Nc2ccccc2)cc1Cl 72329988 PLOAZFNSHXRGKZ-UHFFFAOYSA-N 310.806 3.671 10 40 DHCB Oc1ccc2ccccc2c1CN1CCn2c1nc1ccccc12 96305884 ONZGWPDJZJPDCZ-UHFFFAOYSA-N 315.376 3.915 10 40 DHCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 13601393 VVYUJGLIMFJYFM-DHDCSXOGSA-N 312.394 3.726 10 40 DHCB CN1C(=O)/C(=C/Nc2ccc3ccccc3c2)SC1=S 618255255 UHNBEDNGZWMHKM-LCYFTJDESA-N 300.408 3.583 10 40 DHCB O=C1CSC(=S)N1C1c2ccccc2Oc2ccccc21 1661540 HJXNREFULSQTKX-UHFFFAOYSA-N 313.403 3.742 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 12629743 PMRRCKNRSSPACP-PBFPGSCMSA-N 323.352 3.825 10 40 DHCB COc1cccc(/N=N/c2c(C)nn(C(=S)S)c2C)c1 17130533 CVRFEZSIIUTYPC-CCEZHUSRSA-N 306.416 3.987 10 40 DHCB Nc1c(/N=N/c2cccc(Cl)c2)c(=O)[nH]n1-c1ccccc1 103675124 KXNMGCRPODYLJB-VHEBQXMUSA-N 313.748 3.817 10 40 DHCB Cc1ccc(/C=C2/SC(Nc3cccc(O)c3)=NC2=O)cc1 1248125 JIFPUJOIPBFOIH-OQLLNIDSSA-N 310.378 3.783 10 40 DHCB O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)ccc(O)c21 4824968 ZNQIAQXHADXXQI-UHFFFAOYSA-N 315.328 3.911 10 40 DHCB in-vitro CCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 6204597 BVDQVPGBCZGKBN-JLHYYAGUSA-N 307.440 3.697 10 40 DHCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc(F)c1 13005349 LCPBDAYLCQXUKF-UKTHLTGXSA-N 316.382 3.627 10 40 DHCB Oc1c([C@H](c2ccccn2)N2CCCCC2)ccc2cccnc12 20507220 UNSBLTBZUIGZHT-LJQANCHMSA-N 319.408 3.911 10 40 DHCB Cc1ccc(-n2c(C)cc(C(=O)NCc3cccnc3)c2C)cc1 5482730 ZMLLFYNHIQUCLA-UHFFFAOYSA-N 319.408 3.728 10 40 DHCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/[N+](=O)[O-])c2C)cc1 59427421 ZPBARHRNKPUEFG-MDZDMXLPSA-N 314.341 3.518 10 40 DHCB CN(Cc1ccccc1)c1ccc(/N=N/[C@@H]2N(C)C=NN2C)cc1 5140792 MQTXAODTLDHXHR-PNBGARPFSA-N 322.416 3.511 10 40 DHCB CCN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 15938860 RXHWJDZQPLXMFY-RGEXLXHISA-N 319.408 3.949 10 40 DHCB Cc1noc(C)c1CN1CCCc2cc(OC(F)F)ccc21 65597021 PVFAUCFDFUHKSG-UHFFFAOYSA-N 308.328 3.846 10 40 DHCB Oc1cc2c(cc1O)[C@@H](c1c(Cl)cccc1Cl)NCC2 19691292 YZFLIUNMFUXOHW-HNNXBMFYSA-N 310.180 3.640 10 40 DHCB CC(C)(C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 35040959 BUMJPMLZLNJEGG-DHZHZOJOSA-N 322.411 3.595 10 40 DHCB Oc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1 5368512 BWGTWHHJCWHRGN-AWEZNQCLSA-N 317.186 3.593 10 40 DHCB Oc1c([C@@H](c2ccncc2)N2CCCC2)ccc2cccnc12 21486634 VJHSPDJAESZVQY-GOSISDBHSA-N 305.381 3.521 10 40 DHCB Cc1cc(C)c2c3c1[C@@H]1C=CC[C@@H]1CN3[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 248332693 JAJKMVIDKDCQDH-HLTONANMSA-N 321.420 3.910 10 40 DHCB CCCN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S 9190105 ZZSCRBOWVMPFOV-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1OC 12946351 WGVFXKWTJPABSP-MHWRWJLKSA-N 322.360 3.994 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21 4450176 MHUKBXYJDIIFCE-DCGLDWPTSA-N 323.352 3.825 10 40 DHCB O=C1c2ccccc2C(=O)C12O[C@H]2c1ccc(Cl)cc1Cl 502198 YQNVTWRFEXZXPQ-HNNXBMFYSA-N 319.143 3.883 10 40 DHCB c1ccc(C[n+]2c(-c3ccccc3)cn3c2SCCC3)cc1 13686411 MGCOBRJERDVOBM-UHFFFAOYSA-N 307.442 3.987 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cccc(O)c1 5337657 MWZAKXMOFIWYQL-WQRHYEAKSA-N 321.380 3.728 10 40 DHCB CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 8171274 GAVFIMNYCVHBJF-UHFFFAOYSA-N 308.425 3.561 10 40 DHCB COc1cccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)c1O 409053562 ZRBAZZMUUQNDQH-XNTDXEJSSA-N 322.360 3.999 10 40 DHCB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccccc1 3509755 UKFIWLBYCPTIEP-UHFFFAOYSA-N 323.348 3.727 10 40 DHCB Cc1ccc(C(=O)C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 409205370 PZBJEEJKXXVNON-UHFFFAOYSA-N 303.701 3.622 10 40 DHCB COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 10090002 UKOJUJCUPMTUMH-UHFFFAOYSA-N 321.380 3.750 10 40 DHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc2ccccc2o1 100988545 COGYCYPMKXHISQ-OAHLLOKOSA-N 323.377 3.711 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccccn3)S2)cc1C 5589076 VHHBGJSDLNBLLG-GDNBJRDFSA-N 309.394 3.781 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 13471386 SXQGNZRWBGBQJY-JKIFEVAISA-N 323.352 3.825 10 40 DHCB CCn1c(-c2ccccc2)cnc1SCC(=O)c1ccc[nH]1 14094212 NRRMERCXPRYHLO-UHFFFAOYSA-N 311.410 3.873 10 40 DHCB O=C(NCCCSc1nccs1)Nc1ccccc1F 75613004 QOQMACJLGNBVNG-UHFFFAOYSA-N 311.407 3.586 10 40 DHCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccccc1F 16904716 XADCBEVCUONKJK-ZROIWOOFSA-N 314.341 3.614 10 40 DHCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(O)c(Cl)c1 84339172 ANVOQFWRCKTABP-UKTHLTGXSA-N 322.817 3.502 10 40 DHCB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107494280 KKWUWFBTXJZCJA-LNLFQRSKSA-N 312.457 3.729 10 40 DHCB CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCCC2)N1 339888 CYKQCBDYPHTQAH-UYRXBGFRSA-N 320.436 3.727 10 40 DHCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cccnc2)cc1 7987131 IBWVHJMYDXDYQI-MRXNPFEDSA-N 319.408 3.980 10 40 DHCB C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(N(C)C)cc1 11761938 NLQHWBORQCPDRO-HNNXBMFYSA-N 311.429 3.655 10 40 DHCB Nc1c(S/C=C/Cl)ccc2c1C(=O)c1ccccc1C2=O 3845271 WRJHYLHSYARSKH-BQYQJAHWSA-N 315.781 3.846 10 40 DHCB Oc1ccc(Br)cc1[C@H]1CC(c2ccccc2)=NN1 20390575 YRJFRUONZWYCFR-CQSZACIVSA-N 317.186 3.593 10 40 DHCB CCCSc1nnc2c(n1)OC(CC)=Nc1ccccc1-2 15017101 ZHVPGXPGVMGVSY-UHFFFAOYSA-N 300.387 3.873 10 40 DHCB O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c(Cl)c2)cc1 4803968 NXCHQDZAQDBOSZ-CCEZHUSRSA-N 312.734 3.708 10 40 DHCB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 28462857 QOGAXYMWZKIXRZ-LBPRGKRZSA-N 305.399 3.707 10 40 DHCB CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 63050 ZGGPYLWPUSNHOU-NTCAYCPXSA-N 316.426 3.542 10 40 DHCB O=C1CSC(=S)N1c1ccc(Oc2ccccc2)cc1 2358800 SQJPIEFZPKBLLT-UHFFFAOYSA-N 301.392 3.844 10 40 DHCB COc1ccc(C2=C/C(=C/c3cccc(OC)c3)C(=O)O2)cc1 4852797 XRKFMYIGOVDXTL-GDNBJRDFSA-N 308.333 3.685 10 40 DHCB Oc1ccc(Br)cc1[C@@H]1CC(c2cccs2)=NN1 8379519 PBWOOWZSPXZERE-JTQLQIEISA-N 323.215 3.655 10 40 DHCB Cc1cc(N)ccc1/N=N/c1cccc(S(=O)(=O)O)c1C 4523119 JZDDDTSHVXRSMG-WUKNDPDISA-N 305.359 3.548 10 40 DHCB CN(CCNC(=S)Nc1ccc(Cl)cc1)c1ccccc1 16704906 BSUMICIXUWKPPK-UHFFFAOYSA-N 319.861 3.763 10 40 DHCB CC(C)c1nsc(NCc2ccc(N3CC=CC3)cc2)n1 101489241 YSHKONIDMGEWBO-UHFFFAOYSA-N 300.431 3.650 10 40 DHCB CCCCN1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 4815955 AVKJLYHKAYUVBF-JLHYYAGUSA-N 307.440 3.697 10 40 DHCB Cc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 457340 ICZMQNSVTWJOFX-NWFCWYBLSA-N 300.427 3.697 10 40 DHCB O=C1N=C(c2ccccc2)S/C1=C\c1ccc([N+](=O)[O-])cc1 2635333 NHGQGAQKVJDQQJ-UVTDQMKNSA-N 310.334 3.656 10 40 DHCB CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCCC3)cc2)c1C 225327145 PECMKTQSGPSQEV-UHFFFAOYSA-N 310.397 3.533 10 40 DHCB CCCN1C(=O)/C(=C/c2ccccc2OCC)SC1=S 409328283 RFWHVBLDVIGDEM-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1cccc(O)c1O)N2 818034 PCGGBNUBLOEZOY-GOSISDBHSA-N 307.353 3.551 10 40 DHCB CN(CCNC(=S)Nc1cccc(Cl)c1)c1ccccc1 16704931 SABLMWBEZYOBBT-UHFFFAOYSA-N 319.861 3.763 10 40 DHCB Cc1cc(C)cc(NC(=S)NCCN(C)c2ccccc2)c1 16704940 BQQIMJVPKVUHHC-UHFFFAOYSA-N 313.470 3.726 10 40 DHCB COc1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1 199927 SURBMPGILSMHKG-RVDMUPIBSA-N 308.333 3.685 10 40 DHCB COc1ccc(C)cc1/N=N/c1ccc(O)c2c1ccc[n+]2[O-] 3897146 WRPILBOUXQEQCH-VHEBQXMUSA-N 309.325 3.911 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 4450130 CDJYFDJQABAREX-JKDFXYPNSA-N 323.352 3.825 10 40 DHCB Cc1cc(/N=N\c2ccc(C)c(S(=O)(=O)O)c2)c(C)cc1N 104366291 AQDZNHQTOUHUAY-ZCXUNETKSA-N 319.386 3.856 10 40 DHCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccccc1F 106693966 FGIRLQAOBMGDSH-ZSOIEALJSA-N 316.357 3.557 10 40 DHCB Cc1ccc(-c2csc(Nc3ccccc3)[n+]2CCO)cc1 36719748 MKGWJQNHGBRGPB-UHFFFAOYSA-O 311.430 3.747 10 40 DHCB Oc1ccc(Br)cc1CNCc1ccccc1F 40477069 IXYSNYNBWRCAIN-UHFFFAOYSA-N 310.166 3.584 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 12629882 RCGSYABGPBFABC-CKEIUWERSA-N 323.352 3.825 10 40 DHCB Cc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1C 97152216 QVTRPVKMCNJCDZ-RVDMUPIBSA-N 300.427 3.760 10 40 DHCB CCCCc1ccc(C(=O)C2C(=O)c3ccccc3C2=O)cc1 105628503 HHSWRXALWYMVPX-UHFFFAOYSA-N 306.361 3.907 10 40 DHCB CN(C)c1ccc(/C=C2/N=C(/C=C\c3ccccc3)OC2=O)cc1 5011917 OFYWCLPPONVQKJ-JBFGZICXSA-N 318.376 3.762 10 40 DHCB O=C1/C(=C\c2cccs2)SC(=S)N1Cc1ccco1 4713734 XFWKDHAGVVPYJI-YRNVUSSQSA-N 307.421 3.743 10 40 DHCB Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 8656991 PMAKCBWGHBBQRK-UVTDQMKNSA-N 312.419 3.796 10 40 DHCB CC(C)[C@H](NCc1ccc(N(C)CCO)cc1)c1cccs1 48310707 PGSCLLMHVKSQLR-SFHVURJKSA-N 318.486 3.664 10 40 DHCB CCOc1c(/N=N/c2cccc(Cl)c2)c(C)nn1C(N)=S 104237520 VMNPIXAEEJVBNR-WUKNDPDISA-N 323.809 3.751 10 40 DHCB CC(C)N1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S 8869948 LFHUADMZJWEJQT-DOQDJBIESA-N 319.451 3.620 10 40 DHCB C(=C/c1nc2ccccc2o1)\c1ccc(N2CCOCC2)cc1 23986970 RHVBUZWUKLZQFM-JXMROGBWSA-N 306.365 3.835 10 40 DHCB Cc1c(OC[C@H]2CO2)ccc2c(-c3ccccc3)cc(=O)oc12 30822662 LGSBOEWVFOJPKD-CQSZACIVSA-N 308.333 3.546 10 40 DHCB COc1cccc(CNc2ccc(OC(F)(F)F)cc2)c1O 41857 AGWIHPRDOFRRBE-UHFFFAOYSA-N 313.275 3.912 10 40 DHCB C[C@H](NC(=O)c1cccnc1)c1ccc(N2CCCCC2)cc1 225431140 LSMJHVDECHIFJU-HNNXBMFYSA-N 309.413 3.563 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NCc1ccccc1 5730604 QWQLHPCGQRXSJM-CPNJWEJPSA-N 319.408 3.700 10 40 DHCB COc1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 13615345 SURBMPGILSMHKG-PTNGSMBKSA-N 308.333 3.685 10 40 DHCB CCCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C 17030952 CHDPJKMGIDHYOF-VBKFSLOCSA-N 303.381 3.602 10 40 DHCB CCOC(=O)c1cccc(NCc2cccc(OCC)c2O)c1 44836393 LQJMBXWRUCQFGP-UHFFFAOYSA-N 315.369 3.580 10 40 DHCB COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1N 18067545 KBJGBAOGDZOYIZ-WUKNDPDISA-N 302.290 3.610 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4450173 PMRRCKNRSSPACP-OGHNNQOOSA-N 323.352 3.825 10 40 DHCB COc1ccc(OC)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 13475788 FWTDLYKEXGDOTC-ATVHPVEESA-N 322.364 3.510 10 40 DHCB CCCCN1CCCc2cc(CNCCCOCC)ccc21 45796184 UZSVJEWIEJZSRU-UHFFFAOYSA-N 304.478 3.756 10 40 DHCB COc1ccc(N2COc3ccc(Br)cc3C2)cc1 507144 RHYDEOSIOABKKL-UHFFFAOYSA-N 320.186 3.814 10 40 DHCB COc1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1F 12799102 MCXGCBMDUUPZDS-UHFFFAOYSA-N 303.377 3.789 10 40 DHCB CN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16186433 QDFXVBCEYRVWEG-FOCLMDBBSA-N 315.289 3.984 10 40 DHCB Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 192306667 QLWOJDPQIFQCGN-UHFFFAOYSA-N 302.805 3.644 10 40 DHCB Cc1cccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1 573405 NCYXUNRMZXVCSR-PTNGSMBKSA-N 300.427 3.697 10 40 DHCB CC(C)Oc1ccccc1/C=C1\SC(N2CCCC2)=NC1=O 13749020 MMKKHUOAARANLH-PTNGSMBKSA-N 316.426 3.540 10 40 DHCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(F)cc1 1788059 ZNVLHRHFLIYZLO-UKTHLTGXSA-N 316.382 3.627 10 40 DHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1C=CCC1 39995684 GQTXSVGUCZEVSW-QGZVFWFLSA-N 312.457 3.992 10 40 DHCB CCOC(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N 1342970 LXMCXTJJBCKEPW-UHFFFAOYSA-N 300.383 3.825 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNc1ccccc1C 5339799 LCXSANXTNWBPCL-ATVHPVEESA-N 320.396 3.527 10 40 DHCB CCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1560651 QFFDVMIFSYNYEE-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCOCC3)s2)cc1 16400518 PBRXSXCNICQBHO-FOCLMDBBSA-N 318.358 3.908 10 40 DHCB COc1ccccc1NC(=S)N(C)[C@H](C)c1ccccc1O 95349216 SIBOQGWHYKYGBQ-GFCCVEGCSA-N 316.426 3.791 10 40 DHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2ccccc2n1 12534582 LUEOYEIMPBFWDP-UHFFFAOYSA-N 319.408 3.573 10 40 DHCB CC(=O)Nc1cccc(/N=[N+](/[O-])c2cccc(NC(C)=O)c2)c1 100367887 OWLCCGJWKWQEJK-FMQUCBEESA-N 312.329 3.529 10 40 DHCB CCOC(=O)c1cn[nH]c1/N=N/c1c(O)ccc2ccccc12 4817976 PNGGFDOCUMXFJS-CZIZESTLSA-N 310.313 3.861 10 40 DHCB CN(C)CCN(Cc1cccs1)Cc1cc(Cl)ccc1O 19582675 BTQQRWUXQITFRV-UHFFFAOYSA-N 324.877 3.671 10 40 DHCB CC12CN3CC(C)(CN(C1)C3c1c(O)ccc3ccccc13)C2 19324168 FEIRGEBQZFJNGH-UHFFFAOYSA-N 308.425 3.592 10 40 DHCB CCOC(=O)c1ccc(NCc2cccc(OCC)c2O)cc1 40477109 CWLPHNBLGNFOQP-UHFFFAOYSA-N 315.369 3.580 10 40 DHCB Cc1cc2n(n1)[C@H](c1ccc(O)c(O)c1)Nc1c(C)cccc1-2 818093 LODMNBKZYHGTAH-GOSISDBHSA-N 307.353 3.551 10 40 DHCB CCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 1840514 CKBYJGKRXRBINN-UHFFFAOYSA-N 315.413 3.827 10 40 DHCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1cccnc1 5138056 VNZYSPRQSHAOEC-MDWZMJQESA-N 315.785 3.817 10 40 DHCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\O 100149358 SAUBAQDVRZWSSP-DAXSKMNVSA-N 305.548 3.811 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C)c(N)c1 6390853 WZCKCXRLCKZZAF-BOPFTXTBSA-N 320.396 3.604 10 40 DHCB CN1/C(=C/c2ccc3ccccc3[n+]2C)C=C[C@@H]2C=CC=C[C@H]21 2557607 QGCJGCLODWUMIL-OXJNMPFZSA-N 301.413 3.618 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 4450128 CDJYFDJQABAREX-PRXAMGSTSA-N 323.352 3.825 10 40 DHCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 26675809 LEMBPGBQONVZNB-XFFZJAGNSA-N 313.831 3.570 10 40 DHCB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408955235 XUZNFTFCAUBPCO-AATRIKPKSA-N 320.732 3.693 10 40 DHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccco1 13132512 MNOASTLHTGPZOE-VBKFSLOCSA-N 323.348 3.547 10 40 DHCB O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccncc1 196667 PWALHGSRQGWSSG-LCYFTJDESA-N 315.785 3.817 10 40 DHCB Cc1ccc2cc3c(N)c(C(=O)OC(C)C)sc3nc2c1 410990 IFYHYSDMANBBNV-UHFFFAOYSA-N 300.383 3.905 10 40 DHCB Cc1cc(C)c2c3c1[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3C[C@H]1CC=C[C@@H]21 4132326 JAJKMVIDKDCQDH-CLLBMXBRSA-N 321.420 3.910 10 40 DHCB Cc1ccc(/N=N/c2ccc(NC(=O)/C=C\C(=O)O)cc2)cc1 38534881 IEXQLEGURXRJPQ-ORNXYJTNSA-N 309.325 3.990 10 40 DHCB Cc1n[nH]c(C)c1NC(=O)CSc1ncc(C(C)(C)C)s1 95413940 AJQZZOVERCFSKH-UHFFFAOYSA-N 324.475 3.511 10 40 DHCB CN1C(=O)c2c(sc3c2CCCC3)N[C@@H]1c1ccccc1O 548014 XTTLCCJIPCNMHW-HNNXBMFYSA-N 314.410 3.529 10 40 DHCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccccc1F 5374654 OQELWXLFDQRBJN-WQLSENKSSA-N 304.371 3.560 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 13471388 SXQGNZRWBGBQJY-CKEIUWERSA-N 323.352 3.825 10 40 DHCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)c[nH]c12 207810226 WOXRRVDRVXOQSI-JYRVWZFOSA-N 316.451 3.951 10 40 DHCB CCOc1ccc(Cl)cc1NC(=O)Cc1ccc(N)cc1 37768693 COWNRMXSEIOAKJ-UHFFFAOYSA-N 304.777 3.502 10 40 DHCB CC(C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1 225444053 UUGWRTBTISHZIO-UHFFFAOYSA-N 316.832 3.902 10 40 DHCB COc1cc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)ccc1O 409052488 UCXFIJBVVPCASB-MDWZMJQESA-N 312.296 3.521 10 40 DHCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccccc1 1601346 UYNHNZVLCMZRQD-UVTDQMKNSA-N 313.403 3.798 10 40 DHCB CCOc1ccc(-c2cnc(NCc3ccccc3O)n2C)cc1 4678903 FWJUFKFXGVMDDF-UHFFFAOYSA-N 323.396 3.804 10 40 DHCB O=C(O)c1ccnc(/N=N/c2ccc(Br)cc2)c1O 4844042 YVQIOPAXZAZBGY-FOCLMDBBSA-N 322.118 3.663 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 5339978 YGPLBYMHBLFPEX-WJDWOHSUSA-N 321.336 3.709 10 40 DHCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\C=C\c1ccco1 5932255 FARBORZZVJAVDC-NQDFZQDQSA-N 312.350 3.624 10 40 DHCB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3cccnc3)S2)c1 7165533 CYPWMUNGGSAWCF-OQLLNIDSSA-N 309.394 3.781 10 40 DHCB COc1cccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1 5586753 VGURQCQNQDZAOF-PTNGSMBKSA-N 310.378 3.778 10 40 DHCB COc1ccc(-c2ccccc2)cc1N1C(=O)CSC1=S 6182191 LWRHKWNRRXBFHO-UHFFFAOYSA-N 315.419 3.727 10 40 DHCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 408940175 UMRGIMKLXYMQOQ-LFIBNONCSA-N 324.767 3.782 10 40 DHCB CCN(CC)c1ccc(CNCCc2ccc(OC)cc2)cc1 6869693 BXOACTDVTFBLNS-UHFFFAOYSA-N 312.457 3.874 10 40 DHCB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)c(O)c1 12185848 XPZASMBEGBSPHH-QGZVFWFLSA-N 316.401 3.815 10 40 DHCB COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 30585733 MZCQVFBKJGDDHC-UHFFFAOYSA-N 321.380 3.750 10 40 DHCB Cc1ccc(C)c(C2=C/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)c1 33303433 HZIOKJDVQBHMIL-XYOKQWHBSA-N 311.293 3.786 10 40 DHCB CCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 2155843 XTXVNQPEWHXUAW-KAMYIIQDSA-N 320.483 3.754 10 40 DHCB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 3892284 HUCSTTBAJMDOKB-LJQANCHMSA-N 321.424 3.840 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)c(C)c1 5899211 ZOTTZEOMERAOHY-XNTDXEJSSA-N 311.410 3.724 10 40 DHCB O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1C1CC1 7886331 IVLPPDQWRVXKAS-MRXNPFEDSA-N 314.772 3.775 10 40 DHCB Oc1cc2c(cc1O)[C@H](c1ccc(Cl)cc1Cl)NCC2 19691294 BKSZHUYQRBSSEN-HNNXBMFYSA-N 310.180 3.640 10 40 DHCB CCCOc1ccccc1/C=C1\SC(=S)N(CC)C1=O 59175664 UEGVPZFFDDMGOV-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB FC(F)Oc1ccc(N2CCC(NCc3ccco3)CC2)cc1 71924615 SYCFJMJNZOFSAF-UHFFFAOYSA-N 322.355 3.640 10 40 DHCB Cc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1 457343 ICZMQNSVTWJOFX-OJNRTJSBSA-N 300.427 3.697 10 40 DHCB FC(F)(F)c1ccnc(NCc2ccc(N3CCCC3)cc2)n1 84403238 XPUCTPPYLOKCPD-UHFFFAOYSA-N 322.334 3.708 10 40 DHCB COc1ccccc1/C=C1\SC(=S)N(C(C)(C)C)C1=O 5371278 UIALMSLCGUQRAU-XFXZXTDPSA-N 307.440 3.695 10 40 DHCB CC(C)(C)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 35040901 KNQWLJABINGKQC-DHZHZOJOSA-N 322.411 3.595 10 40 DHCB Cc1cc(=O)oc2c(CNCCC(C)C)c(O)c(Cl)cc12 20591879 ZZZZDCFEINLSOY-UHFFFAOYSA-N 309.793 3.596 10 40 DHCB Cc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 3037709 VQCXIIQLZOGQEQ-LCYFTJDESA-N 301.392 3.994 10 40 DHCB Oc1ccc(Br)cc1[C@H]1CC(c2cccs2)=NN1 8379521 PBWOOWZSPXZERE-SNVBAGLBSA-N 323.215 3.655 10 40 DHCB COc1cc(C)c([C@H](C)NCc2ccccc2O)cc1OC 78394098 BFBHRFOBGVMLQX-ZDUSSCGKSA-N 301.386 3.569 10 40 DHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCC(C)C 103917668 LSZADPCDPDLRMI-LGMDPLHJSA-N 317.408 3.848 10 40 DHCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(F)cc1 1266341 ZNVLHRHFLIYZLO-LCYFTJDESA-N 316.382 3.627 10 40 DHCB CCN1C(=O)C2(Nc3cccc4cccc(c34)N2)c2ccccc21 49947083 RHYWUNGSRJIHSS-UHFFFAOYSA-N 315.376 3.897 10 40 DHCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2F)o1 8053899 VPJBZLIEBGNCQE-GHXNOFRVSA-N 305.355 3.575 10 40 DHCB OC1=NC(=S)S/C1=C\c1ccc(N2CCCC2)c(F)c1 5753823 JCCUETRZVRERKD-WQLSENKSSA-N 308.403 3.755 10 40 DHCB Cc1cc(C=O)c(C)n1-c1ccc(Br)cc1[N+](=O)[O-] 8733459 JMSQPCMHQJCFTL-UHFFFAOYSA-N 323.146 3.577 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(F)cc1F 44826981 QQIIYXAOARNQQK-UVTDQMKNSA-N 313.307 3.683 10 40 DHCB CCCCc1nc2sc(C(=O)OCC)c(N)c2c2c1CCC2 2219466 PFZXDVIATJUWGU-UHFFFAOYSA-N 318.442 3.887 10 40 DHCB Cc1c(C(=O)O)cc(C(C)(C)C)n1-c1ccc2c(c1)OCCO2 113671 LTFRXLQUOHJACP-UHFFFAOYSA-N 315.369 3.553 10 40 DHCB CCn1c(NC(=O)Nc2cccc(OC)c2)nc2ccccc21 27923386 QNHPVULCHBEDNF-UHFFFAOYSA-N 310.357 3.709 10 40 DHCB Oc1cccc([C@@H](c2ccc3cccnc3c2O)N2CCCC2)c1 38242 GDKJUKABSCEYAQ-IBGZPJMESA-N 320.392 3.831 10 40 DHCB COc1ccc(NC(=O)CSc2nccs2)cc1Cl 47241399 FRPPIOYCFYIHJB-UHFFFAOYSA-N 314.819 3.536 10 40 DHCB Nc1nc(Cc2ccccc2)nc(N)c1/N=N\c1ccccc1 4661421 OVQCZGRJLLMYIO-FCQUAONHSA-N 304.357 3.647 10 40 DHCB COC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4959628 SWLJYNVOYXCVAQ-JJRVBVJISA-N 306.365 3.695 10 40 DHCB Cc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(O)c(C(=O)O)c1 5707188 NRODMGAIVPLJNR-FOCLMDBBSA-N 301.258 3.722 10 40 DHCB CN(Cc1cccc(Br)c1O)C(=O)OC(C)(C)C 96034529 XCNBUZVNYGAUFM-UHFFFAOYSA-N 316.195 3.522 10 40 DHCB Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccs1 2788821 OCMGDNWATXYVQX-UHFFFAOYSA-N 311.428 3.686 10 40 DHCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)s1 96346676 VATXULREZWTICZ-CSKARUKUSA-N 312.847 3.858 10 40 DHCB Cc1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1 13284517 ZLJOJODCTQNUBE-UVTDQMKNSA-N 312.419 3.796 10 40 DHCB COc1ncnc2c1N=C1CC(C)(C)CC(NC(C)C)=C1S2 20676537 LZGUGKMUXHAKLJ-UHFFFAOYSA-N 318.446 3.693 10 40 DHCB CN(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 18215090 DUBZNQFXYBGJDK-UHFFFAOYSA-N 322.330 3.701 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21 4450160 SXQGNZRWBGBQJY-ZQIUZPCESA-N 323.352 3.825 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1O 39715104 SQHBXGAEPSCJOA-GDNBJRDFSA-N 312.756 3.852 10 40 DHCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccncc3)S2)c1C 5547576 FUYUDVRKYBLKSM-GDNBJRDFSA-N 309.394 3.781 10 40 DHCB CCN(CC)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 139590484 ZPQGSNSAEGYYET-UHFFFAOYSA-N 314.404 3.531 10 40 DHCB Cc1cccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 35038714 IIUSEYTYGKXCSJ-NTEUORMPSA-N 315.419 3.989 10 40 DHCB COC(=O)C1=CS/C(=C\C(=S)c2ccc(OC)cc2)S1 382857 KYOMZAZMMHCCLL-NTUHNPAUSA-N 324.448 3.749 10 40 DHCB O=C(Nc1ccc(Cl)cn1)c1sc2ccccc2c1O 480534 TYQAKUJEKMDBAW-UHFFFAOYSA-N 304.758 3.908 10 40 DHCB COc1ccc(-c2ccc(CCC(=O)O)n2CC(C)C)cc1 559559 OLIQQBAXDXHYNM-UHFFFAOYSA-N 301.386 3.837 10 40 DHCB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C)C(=O)OC 223829968 YJGYKJMLINPIIF-OLZOCXBDSA-N 305.418 3.739 10 40 DHCB CCOC(=O)c1ccccc1NCc1cc(Cl)ccc1O 36891587 ZZZUZMZIIKWIMJ-UHFFFAOYSA-N 305.761 3.834 10 40 DHCB CCc1nnc(CN(Cc2ccccc2O)C2CCCCC2)o1 69329031 DCZQMYJLEITCRH-UHFFFAOYSA-N 315.417 3.673 10 40 DHCB COc1ccc(C2=C/C(=C\c3ccc(OC)cc3C)C(=O)O2)cc1 408743296 RYQLIHMJRAOQQO-LFIBNONCSA-N 322.360 3.994 10 40 DHCB Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc2c(c1)OCO2 3336003 QJQSPEAMESLGCY-UHFFFAOYSA-N 313.382 3.529 10 40 DHCB in-vitro Cc1ccc(C)n1-c1ccc(C(=O)NOCc2ccccc2)cc1 36727617 RWFGCVOTHGCNCP-UHFFFAOYSA-N 320.392 3.956 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ncccc1C 112110324 ZRMXEEKETIRNDS-VBKFSLOCSA-N 324.359 3.638 10 40 DHCB O=C1C[C@H](C2CCCCC2)C(=O)c2cc3cccnc3c(O)c21 13222984 GUMHWBAGAFSDMP-CYBMUJFWSA-N 309.365 3.906 10 40 DHCB CCc1ccc2c(O)c3c(cc2c1)C(=O)c1cccc(O)c1C3=O 3850732 WSIPHNSDFAPIKV-UHFFFAOYSA-N 318.328 3.589 10 40 DHCB biogenic CC[C@H](N[C@H](CC)c1ccccc1O)c1c(C)nn(C)c1C 156104977 FOYSXIPDLAVMHT-CVEARBPZSA-N 301.434 3.935 10 40 DHCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(F)cc1 1160154 CKIPTIMZPQPLCL-MDWZMJQESA-N 316.382 3.627 10 40 DHCB Cc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(Cl)c3)c2n1 101738447 VIOLTJJTQCXMOC-ISLYRVAYSA-N 301.737 3.708 10 40 DHCB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N)cc1 227157058 QGYWRNAGMUANGM-UHFFFAOYSA-N 311.168 3.837 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccncc3)S2)cc1C 5900544 DJERNUSRZKQUQR-XNTDXEJSSA-N 309.394 3.781 10 40 DHCB COc1ccc(N(Cc2cccs2)Cc2nccn2C)cc1 72987692 MCMRRBNHXXWGFJ-UHFFFAOYSA-N 313.426 3.697 10 40 DHCB CC(C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 58866034 HIUDHDNWZSCCOM-UHFFFAOYSA-N 300.354 3.564 10 40 DHCB Cc1cccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccco3)C2=O)c1 9318492 CPAPPXTVTMIKNM-ZFBSGXTPSA-N 322.320 3.651 10 40 DHCB CCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 13114204 ZGGPYLWPUSNHOU-QINSGFPZSA-N 316.426 3.542 10 40 DHCB [N-]=[N+]=NCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 102828861 ULZHESLIJZKWRM-INIZCTEOSA-N 305.341 3.675 10 40 DHCB CCCC(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1O 245272 DLVGGIJXBVWJND-QGZVFWFLSA-N 310.353 3.539 10 40 DHCB O=C1/C(=C/c2ccccc2O)SC(=S)N1c1ccccc1 1082419 SSWOEIJGIJYHNZ-UVTDQMKNSA-N 313.403 3.798 10 40 DHCB COc1cc2c(cc1O)[C@@H](c1ccc(O)c(O)c1)[C@H](C)[C@H](C)C2 35465246 GSOJAKKBDGPDIS-XCJKDKRRSA-N 314.381 3.772 10 40 DHCB biogenic,in-vitro CC(=O)c1ccc(/N=N\[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 104091005 VQNLDKMJLAFONL-SKQREZPOSA-N 320.352 3.764 10 40 DHCB Cc1cc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)on1 8487152 KJZQVBHMIYOXOI-UHFFFAOYSA-N 310.353 3.748 10 40 DHCB COC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 13389602 SWLJYNVOYXCVAQ-CKEIUWERSA-N 306.365 3.695 10 40 DHCB Cc1c(C)c2cc(CN3CCCCCC3)c(O)c(C)c2oc1=O 2130752 YXEMXTOIFXHZOM-UHFFFAOYSA-N 315.413 3.800 10 40 DHCB biogenic COP(=O)(OC)[C@H](Nc1ccccc1)c1ccccc1O 2317100 KNFDYXGBHBLYHO-HNNXBMFYSA-N 307.286 3.989 10 40 DHCB Cc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)n1 33447208 DAAOCHIJYPVGFF-UVTDQMKNSA-N 318.467 3.924 10 40 DHCB Cc1nc(NCc2ccc(N(C)C)cc2)c2c(C)csc2n1 95941826 JLQOFVPIVHAKST-UHFFFAOYSA-N 312.442 3.986 10 40 DHCB O=C1c2ccccc2C(=O)c2c1c(O)c1ccccc1c2Cl 4792018 ATKQRHBIHGHVAY-UHFFFAOYSA-N 308.720 3.974 10 40 DHCB Oc1c([C@@H](c2ccccn2)N2CCCCC2)ccc2cccnc12 20507221 UNSBLTBZUIGZHT-IBGZPJMESA-N 319.408 3.911 10 40 DHCB CCOC(=O)c1sc2nc3c(cc2c1N)CSC(C)(C)C3 327597 SPHQCSBXELMAKP-UHFFFAOYSA-N 322.455 3.623 10 40 DHCB O=C1/C(=C/c2ccccc2F)SC(=S)N1Cc1ccco1 12375279 MHONNHMTGYCTLM-JYRVWZFOSA-N 319.382 3.820 10 40 DHCB CCO/C(O)=C1/SC(c2ccc(Cl)cc2Cl)=NC1=O 100319440 UFWAHAQBZHNURX-FMIVXFBMSA-N 318.181 3.777 10 40 DHCB Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)c(Cl)c1)NCC2 19691552 JDCXDIRUZGBWAK-OAHLLOKOSA-N 310.180 3.640 10 40 DHCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)c[nH]c12 409132615 QPPYNNMZICSFGC-GHXNOFRVSA-N 302.424 3.561 10 40 DHCB CCN1/C(=C2\SC(=S)N(C)C2=O)C=Cc2cc(C)ccc21 1004809 NYDMNSIEGOQRSZ-YPKPFQOOSA-N 316.451 3.550 10 40 DHCB COc1cc(C)c(/C=C2/SC(=S)NC2=O)cc1C(C)C 408848444 ZAQLIXBQLYBOGZ-NTUHNPAUSA-N 307.440 3.616 10 40 DHCB N=C1/C(=C\c2ccco2)C(=O)N=C2SC=C(c3ccccc3)N12 13810172 PXPLXOGHABORSD-UMNMHFGOSA-N 321.361 3.584 10 40 DHCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 13670286 VOXFFBFCGINSNV-UHFFFAOYSA-N 314.816 3.870 10 40 DHCB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O 7616077 SIALIHZXQKGULO-AWEZNQCLSA-N 322.320 3.570 10 40 DHCB O=C1/C(=C/c2ccncc2)SC(=S)N1C1CCCCC1 5478669 JUAACAAMVYLDQS-RAXLEYEMSA-N 304.440 3.616 10 40 DHCB CCCOc1ccccc1/C=C1\SC(N2CCCC2)=NC1=O 13757888 AOQBHQYAKGLEMU-QINSGFPZSA-N 316.426 3.542 10 40 DHCB CCn1c(C)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1C 408967634 WGSQIBLOTRNJLK-PDGQHHTCSA-N 307.397 3.931 10 40 DHCB COc1ccc(OC)c(/C=C2\C=C(c3cccs3)OC2=O)c1 409055223 XPWYAUURANTMCW-XYOKQWHBSA-N 314.362 3.747 10 40 DHCB CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nc2ccccc2o1 16607871 COGYCYPMKXHISQ-HNNXBMFYSA-N 323.377 3.711 10 40 DHCB O=C1C2=C(/C=C\c3ccccc3)OCCC2=NN1c1ccccc1 17142840 FCQJNHASUUTYLF-QXMHVHEDSA-N 316.360 3.777 10 40 DHCB CCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21 409328611 YSGCFHXWKQUWFP-NTEUORMPSA-N 316.451 3.882 10 40 DHCB Oc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1 5368589 BWGTWHHJCWHRGN-CQSZACIVSA-N 317.186 3.593 10 40 DHCB Cc1cc(Br)ccc1-n1c(C)cc(C(=O)O)c1C 19991765 LFDPRYLWLMNKGX-UHFFFAOYSA-N 308.175 3.863 10 40 DHCB Cn1ccc([C@H]2CCCCCN2Cc2cc(Cl)ccc2O)n1 12154148 PFAUXGGVVFTGCA-MRXNPFEDSA-N 319.836 3.896 10 40 DHCB COc1cc(C)c(/N=N/c2ccc(S(=O)(=O)O)cc2)c(C)c1 102456537 PAWSBSSIRVXYTQ-WUKNDPDISA-N 320.370 3.974 10 40 DHCB Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(O)cc1 95946081 NEWGJXHXJZULET-UHFFFAOYSA-N 305.399 3.625 10 40 DHCB CCN(CCNC(=S)Nc1ccccc1)c1ccc(C)cc1 225792222 ORZNAYALSMRPFG-UHFFFAOYSA-N 313.470 3.808 10 40 DHCB Cc1cc(O)c(CNc2ccc(Br)cn2)cc1C 89570306 UKQZVHNPQYAWIZ-UHFFFAOYSA-N 307.191 3.779 10 40 DHCB O=C1/C(=C/c2ccccc2)SC(=S)N1c1cccc(O)c1 2451223 XMFRKRXRXVOTLB-ZROIWOOFSA-N 313.403 3.798 10 40 DHCB CCN(CC)c1ccc(/N=N/c2nn(C)c(C)c2[N+](=O)[O-])cc1 100482778 CBTVICGCXKAORE-WUKNDPDISA-N 316.365 3.898 10 40 DHCB CCC[C@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 4859600 JXPZHPSWQBGGPV-JFGNBEQYSA-N 302.330 3.547 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(O)cc1 5334171 HMWWGVDOZWVCQE-WQRHYEAKSA-N 321.380 3.728 10 40 DHCB CCC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1C 23042546 IUHPGQQATUNHTF-KRWDZBQOSA-N 308.381 3.788 10 40 DHCB CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1O 7886033 QSHCCNLOXQWHJV-GOSISDBHSA-N 324.380 3.520 10 40 DHCB Cc1cc(Br)ccc1NC(=O)Cc1ccc(N)cc1 19406561 SHURVXVUXINUKF-UHFFFAOYSA-N 319.202 3.521 10 40 DHCB O=C1/C(=C/Nc2ccccc2)SC(=S)N1Cc1ccco1 618255060 OQMCANHSYYAZIK-LCYFTJDESA-N 316.407 3.593 10 40 DHCB O=C(/C=C/c1cccc2cccnc12)N1CCc2ccccc21 23053312 WUDCTLYPHVQTKL-ZHACJKMWSA-N 300.361 3.837 10 40 DHCB Cc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1C 463407 RCBZOXUWMQBZKD-JYRVWZFOSA-N 311.293 3.786 10 40 DHCB C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](c2ccccc2)O1 84714177 VHEJBRGYNOKZLC-YCRPNKLZSA-N 323.436 3.843 10 40 DHCB CCOc1ccc(OCC)c(NCc2cccc(OC)c2O)c1 44836311 DINJEZCKRRFDTA-UHFFFAOYSA-N 317.385 3.810 10 40 DHCB O[C@H](COc1ccc2ccccc2c1)CSc1nccs1 52914240 CILHAKGTLLYSHX-CQSZACIVSA-N 317.435 3.828 10 40 DHCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OC 5766000 IAXVYPJKYGNFGR-FOWTUZBSSA-N 322.364 3.510 10 40 DHCB CC(=O)Oc1ccccc1/C=C1/C=C(c2ccccc2)OC1=O 17005336 STOJSDLRUBDKEF-WJDWOHSUSA-N 306.317 3.593 10 40 DHCB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1ccc(N(C)C)cc1 18193101 LHODLURAXPMFEE-QGOAFFKASA-N 319.408 3.867 10 40 DHCB c1ccc(CCc2noc(CSc3nccs3)n2)cc1 72541404 YONLZPRIAMTMKJ-UHFFFAOYSA-N 303.412 3.604 10 40 DHCB CCCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21 409346747 OIZDEIWDZZODGG-MDWZMJQESA-N 302.424 3.540 10 40 DHCB CCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CCC 17054341 QDLWVJZILDJJCD-LGMDPLHJSA-N 317.408 3.992 10 40 DHCB Cc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1C 16704922 OAPKAVHACFOAOH-UHFFFAOYSA-N 313.470 3.726 10 40 DHCB CC(=O)Nc1cccc(N=[N+]([O-])c2cccc(NC(C)=O)c2)c1 245240239 OWLCCGJWKWQEJK-UHFFFAOYSA-N 312.329 3.529 10 40 DHCB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1cccc(F)c1 4688153 PHHAJJVDDSTTNX-VGOFMYFVSA-N 316.357 3.557 10 40 DHCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 409161018 SIVVBLBAINUZLC-VBHSOAQHSA-N 306.365 3.915 10 40 DHCB O=C(CSc1nccs1)c1ccc(OC(F)F)cc1 71822608 TZLSHHHQDHCNEG-UHFFFAOYSA-N 301.339 3.720 10 40 DHCB CCO/C(CC)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 9972227 AFDOWMZOLHXMQS-OWBHPGMISA-N 315.398 3.719 10 40 DHCB CCCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 13751901 CQNXQTDTMUQRDD-QINSGFPZSA-N 316.426 3.542 10 40 DHCB CCn1cccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408966562 PDIAAXHKVPTGQH-SDNWHVSQSA-N 314.435 3.914 10 40 DHCB O=Cc1ccc(-c2cccc3c2C(=O)c2ccccc2C3=O)o1 5379242 LKXUSKIHFFJDJC-UHFFFAOYSA-N 302.285 3.535 10 40 DHCB COc1ccc(N2CCN(C(=S)C3CCCCC3)CC2)cc1 3348935 HEBKWHAWJZQGLD-UHFFFAOYSA-N 318.486 3.725 10 40 DHCB Cc1c(C(=O)NCc2ccc(N(C)C)cc2)oc2ccccc12 12533990 NRUPNXNYXUUISW-UHFFFAOYSA-N 308.381 3.737 10 40 DHCB CCCN1C(=O)/C(=C(\C)c2ccc(OC)cc2)SC1=S 54360641 XYOJZCKUKWGIHY-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1cccnc1 408975871 OQDBRWMSLMTWIU-DHDCSXOGSA-N 311.772 3.537 10 40 DHCB CCCCCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 409201340 LQJRXTLAUHVLNU-QINSGFPZSA-N 318.442 3.979 10 40 DHCB Cc1ccc(/C=C2\SC(N3CCCC[C@@H]3C)=NC2=O)cc1 59484575 KHZIWWRLTHRYKA-WZMONFQBSA-N 300.427 3.840 10 40 DHCB Cc1ccc(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1 3202102 MJIUGLIRQODKBM-UHFFFAOYSA-N 324.346 3.950 10 40 DHCB Cc1cc(-n2c(C)cc(C(=O)O)c2C)ccc1Br 19999699 ZSNPEUNUGQJKTD-UHFFFAOYSA-N 308.175 3.863 10 40 DHCB Oc1c([C@@H](c2ccccc2)N2CCOCC2)ccc2ccccc12 31658829 RBAHJVKVIABDMN-HXUWFJFHSA-N 319.404 3.967 10 40 DHCB Cc1ccc(CN(C(=O)Cc2ccc(N)cc2)C2CC2)cc1C 195543612 VKCKENNALQBEFM-UHFFFAOYSA-N 308.425 3.619 10 40 DHCB COC(=O)c1cccc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4959629 SWLJYNVOYXCVAQ-VBQJREDUSA-N 306.365 3.695 10 40 DHCB CCCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)O 4850402 XRNXQDCYAMNUND-UHFFFAOYSA-N 308.378 3.666 10 40 DHCB COc1cc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)ccc1O 4676287 NJUPICVTJONEHJ-OQLLNIDSSA-N 322.360 3.999 10 40 DHCB O=C1/C(=C/N2CCCCC2)SC(=S)N1c1ccc(F)cc1 5634435 WSZGDCZBSQOQBK-RAXLEYEMSA-N 322.430 3.518 10 40 DHCB CCCC(O)(CCC)C(=O)/N=N/c1c(O)[nH]c2ccccc12 4553018 UGGBBXIKZRXTJW-VHEBQXMUSA-N 303.362 3.815 10 40 DHCB Cc1ccc(C2=C/C(=C\c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 5417515 RDGFPXLCLYTEAF-OQLLNIDSSA-N 307.305 3.885 10 40 DHCB Nc1ccc(CCC(=O)Nc2ccccc2Br)cc1 20186825 NFJWSAUKBXZHLG-UHFFFAOYSA-N 319.202 3.603 10 40 DHCB CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CCCCC2 53914802 SOWDUWHZULJYQF-UHFFFAOYSA-N 315.438 3.995 10 40 DHCB CCN(CC)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 223998255 WEKAOGBSFOZOSY-NTCAYCPXSA-N 308.425 3.862 10 40 DHCB Cc1cccc2cc3c(N)c(C(=O)OC(C)C)sc3nc12 1342893 OVYZFMTVXFNMJQ-UHFFFAOYSA-N 300.383 3.905 10 40 DHCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(F)c1 1476260 WBURJPZOCGZBKV-JYRVWZFOSA-N 316.382 3.627 10 40 DHCB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=O)C(=O)[C@@]4(C)CC[C@@H]32)C1 4758132 UQQSMHYSBCNCKW-VEEKTTQZSA-N 316.441 3.712 10 40 DHCB Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccc(OC(F)F)cc1 20285033 PTLRMJXQIFVVOL-FPYGCLRLSA-N 307.296 3.793 10 40 DHCB Oc1c([C@H](c2ccncc2)N2CCCC2)ccc2cccnc12 21486632 VJHSPDJAESZVQY-SFHVURJKSA-N 305.381 3.521 10 40 DHCB CCOc1ccccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 6439863 VNDMZUKMHSESQA-DTQAZKPQSA-N 321.380 3.804 10 40 DHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 409167615 IYWKVPIDJRFTLN-IIDMSEBBSA-N 306.365 3.915 10 40 DHCB CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=S 1233125 MHMKWRMLSVEIRZ-YPKPFQOOSA-N 316.451 3.632 10 40 DHCB COc1ccc(CN(C)Cc2cc3c(cc2O)CCC3)cc1F 32719965 IJCQKESXBHKIBQ-UHFFFAOYSA-N 315.388 3.661 10 40 DHCB CN(C)c1ccc(-c2ncc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 137019 MUVSQKJOIIJTOS-UHFFFAOYSA-N 309.325 3.983 10 40 DHCB COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1 1647728 VCIGMSXFBWIQPP-UHFFFAOYSA-N 323.348 3.650 10 40 DHCB Cc1cc(=O)oc2c(/N=N/c3ccc(C(=O)O)cc3)c(O)ccc12 5006746 YNPJLSGUWJPQMU-VHEBQXMUSA-N 324.292 3.921 10 40 DHCB COc1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1 573228 YVPMTQKQFXYTFI-UHFFFAOYSA-N 314.366 3.974 10 40 DHCB C[C@H](Cc1ccccc1)N/C=C1\C=C(c2ccccc2)OC1=O 18178917 QWGCUVSKLUOBNG-LWFDYCOSSA-N 305.377 3.689 10 40 DHCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2)SC1=S 409193147 CPKHRCMRDIGPTL-GXDHUFHOSA-N 314.435 3.642 10 40 DHCB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)SC1=S 59254487 FUMWYQPVKZUHHT-NTEUORMPSA-N 321.467 3.943 10 40 DHCB CCc1nc(CNc2cc3oc4ccccc4c3cc2OC)n[nH]1 96011656 HABBKBFUBHZSFO-UHFFFAOYSA-N 322.368 3.887 10 40 DHCB C[C@H]([C@H](O)c1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 4468867 ZLTQIYWKLSDOQZ-YURLWJCLSA-N 314.345 3.647 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(O)cc1C 12447758 WILVXRKWFNRENY-GZTJUZNOSA-N 321.380 3.728 10 40 DHCB CC[C@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1 32932633 PCOMWONGFXAOSG-ZDUSSCGKSA-N 315.413 3.628 10 40 DHCB Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 13647856 WWLFWFOKBABBCV-UHFFFAOYSA-N 308.425 3.915 10 40 DHCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(O)cc1 100719688 ZDIMGASNRDKYCW-WJDWOHSUSA-N 309.394 3.912 10 40 DHCB Cc1cc(OCC(=O)Nc2ccc(N)cc2)cc(C)c1Cl 19735976 SKLGFUUGLMCLHQ-UHFFFAOYSA-N 304.777 3.557 10 40 DHCB CCOc1c(/N=N\c2cccc(Cl)c2)c(C)nn1C(N)=S 17141895 VMNPIXAEEJVBNR-MSUUIHNZSA-N 323.809 3.751 10 40 DHCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccnc3)cc2)C1 260888568 BLZDCQRYPJFZEL-HOTGVXAUSA-N 323.440 3.809 10 40 DHCB COc1ccc(/N=N/C(=S)NNc2ccc(OC)cc2)cc1 17860681 AADKNNLBLFUNGR-HTXNQAPBSA-N 316.386 3.689 10 40 DHCB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 7886432 VVBRECIRPRGPCD-SFHVURJKSA-N 309.413 3.729 10 40 DHCB Cc1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)c([N+](=O)[O-])c1 4803975 XVVOGVLPDYKFBO-FOCLMDBBSA-N 301.258 3.722 10 40 DHCB O=C1c2cccc(Cl)c2C(=O)c2c1c(O)c1ccccc1c2O 5604841 UMDJFRONBUXDNO-UHFFFAOYSA-N 324.719 3.680 10 40 DHCB O=C1N=C(Nc2ccccc2O)S/C1=C/c1ccc(F)cc1 11640029 WGJUIQOAYOWIDA-NTEUORMPSA-N 314.341 3.614 10 40 DHCB COc1cc(/N=N\c2c(C)nc(N)nc2C)c(OC)cc1Cl 16930751 BAQZWBLJIQOAKS-VXPUYCOJSA-N 321.768 3.762 10 40 DHCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(C)C1=O 409329227 CLPRWPDZVCLOCA-AVMBBCFPSA-N 307.440 3.695 10 40 DHCB Cc1cc(N)ccc1/N=N\c1cccc(S(=O)(=O)O)c1C 17302768 JZDDDTSHVXRSMG-MSUUIHNZSA-N 305.359 3.548 10 40 DHCB CN(CC(=O)O)c1ccc(/C=C/c2ccnc3ccccc23)cc1 1600582 QAJCAHJKOXUFFT-RMKNXTFCSA-N 318.376 3.926 10 40 DHCB Cc1cccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)c1 12637678 QHPYRYHBJJCZAQ-UHFFFAOYSA-N 322.452 3.512 10 40 DHCB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S 409351349 UDMHUMLWBGYQKN-KAMYIIQDSA-N 318.467 3.508 10 40 DHCB O=C1c2ccccc2C(=O)c2sc(Nc3ccc(F)cc3)nc21 72194231 BEZQFBVXOONKTN-UHFFFAOYSA-N 324.336 3.801 10 40 DHCB Nc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 227157898 FMITXWTYJBQQQL-XCVCLJGOSA-N 317.186 3.683 10 40 DHCB Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)n1-c1ccccc1 5689542 VSWMXSURWFGGSY-UHFFFAOYSA-N 313.397 3.866 10 40 DHCB CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12 20288884 GPGWGTNBTXZUPV-UHFFFAOYSA-N 321.804 3.700 10 40 DHCB aggregator COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1 4991172 PNDWCLAARZUDLE-UHFFFAOYSA-N 309.413 3.760 10 40 DHCB Cc1ccccc1N[C@H]1SC(=S)N(c2ccccc2)C1=O 4663532 PSWDRJHRJKHYHR-AWEZNQCLSA-N 314.435 3.798 10 40 DHCB FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cncs1 95468650 TZGUTOXBZKMQLF-UHFFFAOYSA-N 314.332 3.995 10 40 DHCB COc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1C 96291369 DRXUEJWWTKNSEF-XNTDXEJSSA-N 316.426 3.506 10 40 DHCB CC(C)N1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 408962515 YUXTUAMIDMTGPX-PTNGSMBKSA-N 316.426 3.732 10 40 DHCB O=C1N=C(Nc2ccccn2)S/C1=C\c1c[nH]c2ccccc12 20227133 CRGHUUDZYWQNPP-ZROIWOOFSA-N 320.377 3.645 10 40 DHCB Cc1c(-c2ccccc2)c(=O)oc2c(CN(C)C)c(O)ccc12 4353824 GXKUVMPKQJZEOA-UHFFFAOYSA-N 309.365 3.536 10 40 DHCB biogenic O=C1c2ccccc2C(=O)C1c1cc(Cl)c(O)c(Cl)c1 104196883 YLAFYOHFPBEWEM-UHFFFAOYSA-N 307.132 3.862 10 40 DHCB O=C(NCCCSc1nccs1)c1ccc2cc[nH]c2c1 79310600 WSRXOMPAZIGZEO-UHFFFAOYSA-N 317.439 3.537 10 40 DHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CC3)c2C)cc1 3392696 BLZOKFJOGRZOIG-UHFFFAOYSA-N 311.381 3.538 10 40 DHCB COC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 223705367 CVXLDKZIFYALEO-UHFFFAOYSA-N 308.175 3.643 10 40 DHCB Cn1c(=O)c(N=Nc2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 299804371 XXSLVBDPACXUDO-UHFFFAOYSA-N 324.296 3.568 10 40 DHCB Cc1cc(S(=O)(=O)Cc2ccc(N)cc2)c(C)cc1Cl 120049 RFGXQZBPWAITDJ-UHFFFAOYSA-N 309.818 3.513 10 40 DHCB COc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 5363107 XIIQXIHMOPFYOV-PDGQHHTCSA-N 321.380 3.722 10 40 DHCB COc1cccc(NCc2cc(Br)ccc2O)c1 40477089 HRVYUWPZKSGSFO-UHFFFAOYSA-N 308.175 3.775 10 40 DHCB CCc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 44826948 BTHVVPASWADLHM-QGOAFFKASA-N 305.381 3.968 10 40 DHCB CCN(CC)c1ccc(CNC(=O)Cc2ccccc2F)cc1 225452556 ADXLMAPVKXWJNQ-UHFFFAOYSA-N 314.404 3.531 10 40 DHCB COc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 39157 XVNIREYOHAWVPY-NTCAYCPXSA-N 316.426 3.542 10 40 DHCB C[C@@H]([C@@H](O)c1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 4468870 ZLTQIYWKLSDOQZ-WVNGTRPVSA-N 314.345 3.647 10 40 DHCB COC(=O)c1c(C)oc2ccc(O)c(CN3CCCC[C@@H]3C)c12 5182517 FGHUJSZNMQGDEF-NSHDSACASA-N 317.385 3.608 10 40 DHCB COc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)c(O)c1 12185851 XPZASMBEGBSPHH-KRWDZBQOSA-N 316.401 3.815 10 40 DHCB O=C(O)[C@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@@H]2C=CC[C@H]12 2213181 ANQJNJFYWVQYNR-BUYFANAVSA-N 317.694 3.897 10 40 DHCB Cc1ccc(-c2cnc(SCC(=O)c3ccc[nH]3)n2C)cc1 8012863 YIBYXVDLYMNZEI-UHFFFAOYSA-N 311.410 3.699 10 40 DHCB Cc1nc(N)nc(C)c1/N=N\c1ccccc1Br 100458942 ISJKOJCOKJISML-ZCXUNETKSA-N 306.167 3.854 10 40 DHCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1CCC1CCCC1 409140504 FBLSADGCPFADAQ-RAXLEYEMSA-N 306.456 3.796 10 40 DHCB CN(C)/N=N/c1ccccc1C(=O)NCc1ccc(Cl)cc1 3331531 QRACZCFXTPDMRK-FMQUCBEESA-N 316.792 3.830 10 40 DHCB Cc1ccc(N[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1 4560338 PCYDAWWLYHRWOW-AWEZNQCLSA-N 314.435 3.798 10 40 DHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccn1 48350258 JMZAGAQQKDOJLQ-UHFFFAOYSA-N 324.428 3.736 10 40 DHCB COC(=O)c1cccc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21 6247665 OUDFEIPIMJHWNE-ZQIUZPCESA-N 306.365 3.695 10 40 DHCB Cc1ccc(CNCc2cc(Br)ccc2O)cc1 58158240 DZEVDPNSCGCFMF-UHFFFAOYSA-N 306.203 3.753 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1C)OCO2 408963627 CWVANDNTUYUXJM-SXGWCWSVSA-N 320.348 3.530 10 40 DHCB O=C1N=C(N2CCCC2)S/C1=C\c1c(F)cccc1Cl 13749491 MDGKBNTVPBGUCW-WQLSENKSSA-N 310.781 3.545 10 40 DHCB CSc1ccc(C)c(C(=O)N(C)Cc2ccccc2O)c1 77258361 FUKSSDXVLHEPAD-UHFFFAOYSA-N 301.411 3.695 10 40 DHCB COc1cccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)c1O 409052028 FRPUCUDFJWCUMM-MHWRWJLKSA-N 322.360 3.999 10 40 DHCB CCN(CC)c1ccc(NNCc2ccc(N(C)C)cc2)cc1 1671900 VTSYMDOKOIWJCW-UHFFFAOYSA-N 312.461 3.716 10 40 DHCB Cc1cc(N2CCCC2)ccc1/C=C\c1onc(C)c1[N+](=O)[O-] 13844279 SFKPQSMEGAZWMS-VURMDHGXSA-N 313.357 3.970 10 40 DHCB Cc1cc(=O)oc2c(CN3CCCCCC3)c(O)c(Cl)cc12 19791725 XGOLNCNVZLNMMX-UHFFFAOYSA-N 321.804 3.836 10 40 DHCB Oc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1O 12113845 NEEBQBMLKNKKIY-UHFFFAOYSA-N 324.384 3.552 10 40 DHCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Cc1ccco1 35040347 SGBVRHBQLOZUHM-MDWZMJQESA-N 319.382 3.820 10 40 DHCB COC(=O)c1cc(C)n(-c2ccc(C)cc2Br)c1C 223704926 NNNMGGLYXFBRMS-UHFFFAOYSA-N 322.202 3.952 10 40 DHCB CCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1Cl 408531405 PTJUSMPVYWJNMX-XFFZJAGNSA-N 313.831 3.618 10 40 DHCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 409160050 SEZXZEIICNDHAK-QWQRMKEZSA-N 306.365 3.915 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1cccs1 103916412 AEVLRNLUVDQAHK-VBKFSLOCSA-N 311.410 3.534 10 40 DHCB CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(F)cc3)c12 520221 NQMAAEGVAYTWRH-UHFFFAOYSA-N 313.328 3.570 10 40 DHCB COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(C)o2)S1 35646903 YGQGZUMTUJHWKF-ZROIWOOFSA-N 314.366 3.679 10 40 DHCB O=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccco1 96669470 YPFKVGUFVBNJEX-IZZDOVSWSA-N 307.421 3.743 10 40 DHCB CCCNC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225774727 OSHUWBSGIBTYFF-HUUCEWRRSA-N 303.450 3.693 10 40 DHCB CC(C)Oc1ccccc1/C=C1/SC(N2CCCC2)=NC1=O 531074 MMKKHUOAARANLH-RVDMUPIBSA-N 316.426 3.540 10 40 DHCB O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1 31091167 MOXHXFAOSGTWRP-UHFFFAOYSA-N 313.376 3.748 10 40 DHCB O=C1/C(=C\c2ccco2)SC(=S)N1c1cccc(F)c1 4491796 QDEBEOKUWAGXNV-XYOKQWHBSA-N 305.355 3.825 10 40 DHCB CCOc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 5250298 LVEWYBOBHFOMMV-AQTBWJFISA-N 321.380 3.804 10 40 DHCB Cc1cc(C)c2c3c1[C@@H]1C=CC[C@@H]1CN3[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 248332695 JAJKMVIDKDCQDH-RMWBKXBUSA-N 321.420 3.910 10 40 DHCB O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1cccnc1 1447304 VNZYSPRQSHAOEC-JYRVWZFOSA-N 315.785 3.817 10 40 DHCB CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S 5889361 ICMOSPLTTAVPEY-JXMROGBWSA-N 315.366 3.509 10 40 DHCB CCOc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1 40139753 YEJVNGDAEUJCTM-QINSGFPZSA-N 316.426 3.542 10 40 DHCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\N1CCCCC1 408526630 CSRCQKUFZQMEGR-PTNGSMBKSA-N 317.820 3.741 10 40 DHCB Cc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1C 97152196 KCRAPEYCRFVTIB-XNTDXEJSSA-N 300.427 3.806 10 40 DHCB COCCCNCc1cc(C)n(-c2cccc(Cl)c2)c1C 223671205 SZVZIQOPQGZOTK-UHFFFAOYSA-N 306.837 3.874 10 40 DHCB CCCCc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12 20332014 VHRDZSZXCHXPTP-UHFFFAOYSA-N 309.793 3.556 10 40 DHCB C[C@H](Sc1nccs1)C(=O)Nc1cccc2ncccc12 52914421 OEBMKGHXHDAPIX-JTQLQIEISA-N 315.423 3.811 10 40 DHCB COc1ccc(C2=C/C(=C/c3ccc(C)cc3)C(=O)O2)c(OC)c1 408723658 ZBXWQXVTKLWONH-GDNBJRDFSA-N 322.360 3.994 10 40 DHCB FC(F)(F)c1ccc(NC(=S)NCc2ccccn2)cc1 225329514 XXSDYUGGEGJUMC-UHFFFAOYSA-N 311.332 3.587 10 40 DHCB O=C1/C(=C\c2ccco2)SC(=S)N1Nc1ccccc1 5181769 XEGLJGATOFUDDR-FMIVXFBMSA-N 302.380 3.508 10 40 DHCB O=[N+]([O-])c1ccc(NNC(=S)/N=N/c2ccccc2)cc1 18101538 RLDAWAIBFRAAJF-JQIJEIRASA-N 301.331 3.580 10 40 DHCB CC(C)CCN1C(=O)/C(=C\Nc2cccc(O)c2)SC1=S 102480532 BSRHTLPPRZOAPA-UKTHLTGXSA-N 322.455 3.552 10 40 DHCB CCOc1ccccc1/N=N\c1c(C)nc(N)nc1OCC 104237249 CFKDMTUDBVHWCW-VXPUYCOJSA-N 301.350 3.580 10 40 DHCB COc1ccc(C2=C/C(=C\c3ccc(OC)c(C)c3)C(=O)O2)cc1 408742275 OCCDKMZIPKLEIW-LFIBNONCSA-N 322.360 3.994 10 40 DHCB COc1ccccc1/C=C1\SC(=S)N(C2CCCC2)C1=O 13787681 DFIRHUILQJBSOW-UVTDQMKNSA-N 319.451 3.839 10 40 DHCB O=[N+]([O-])c1ccc(NCc2ccc3cccnc3c2O)c(F)c1 585135269 OMKJOZGMLIKPHF-UHFFFAOYSA-N 313.288 3.600 10 40 DHCB Cc1cc(/N=N/c2ccc(C)c(S(=O)(=O)O)c2)c(C)cc1N 4523121 AQDZNHQTOUHUAY-ISLYRVAYSA-N 319.386 3.856 10 40 DHCB CC(C)Oc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 13757772 VXCJFJSQEZQDEC-PTNGSMBKSA-N 316.426 3.540 10 40 DHCB CCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O 408904699 NGIRWEHDVWKKJX-FOWTUZBSSA-N 322.364 3.597 10 40 DHCB CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1Cl 9234529 CALOACBZJKXTJP-YRNVUSSQSA-N 313.831 3.570 10 40 DHCB Cc1ccc2c(c1)C1(Nc3cccc4cccc(c34)N1)C(=O)N2 55142552 MGBXUXNYSLQIFZ-UHFFFAOYSA-N 301.349 3.791 10 40 DHCB Cn1cccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O 2447009 OSTTUSRLFZDUOT-JLHYYAGUSA-N 306.456 3.559 10 40 DHCB CC(C)(C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 9927847 SAWXHRQFGOMCKO-DHZHZOJOSA-N 322.411 3.595 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(F)cc1 13468700 UIQZODJZUIIYQL-GZTJUZNOSA-N 309.344 3.853 10 40 DHCB Nc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 20186761 VTKIPLPFKJTYSY-UHFFFAOYSA-N 319.202 3.603 10 40 DHCB CN(C)c1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1 35040871 MGAJVJBORAJJIV-JLHYYAGUSA-N 320.483 3.752 10 40 DHCB COc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)c(OC)c1 208326 CAWORDKXNAEUOJ-XNTDXEJSSA-N 308.333 3.685 10 40 DHCB Cc1ccc(-n2c(C)cc(C(=O)NCc3ccccn3)c2C)cc1 5452132 RPUZEYWSHFNHLC-UHFFFAOYSA-N 319.408 3.728 10 40 DHCB O=c1[nH]c(-c2sc3ccccc3c2O)nc2ccsc12 6585800 BWDWYDWFUNGWCQ-UHFFFAOYSA-N 300.364 3.572 10 40 DHCB Cc1nc(N)sc1-c1csc(NCc2ccccc2)n1 813419 RMMSGACHNAARPR-UHFFFAOYSA-N 302.428 3.769 10 40 DHCB Cn1cc([C@H]2CCCCCN2Cc2cc(Cl)ccc2O)cn1 19290609 HBFBXRXWXMKFIB-MRXNPFEDSA-N 319.836 3.896 10 40 DHCB O=C1N=C(Nc2ccccc2O)S/C1=C\c1ccc(F)cc1 5770715 WGJUIQOAYOWIDA-ZROIWOOFSA-N 314.341 3.614 10 40 DHCB CCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1806821 BCCDAQSERWUFRY-XFXZXTDPSA-N 322.411 3.596 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(C#N)cc3)S2)cc1 7164980 CMOPIHXCOXTOIZ-MHWRWJLKSA-N 319.389 3.949 10 40 DHCB CCN1C(=O)/C(=C/c2c(O)ccc3ccccc23)SC1=S 8654292 FSGWGLZRFPMSCL-ZROIWOOFSA-N 315.419 3.767 10 40 DHCB COC(=O)c1c(C)oc2ccc(O)c(CN3CCCC[C@H]3C)c12 5182520 FGHUJSZNMQGDEF-LLVKDONJSA-N 317.385 3.608 10 40 DHCB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 3892283 HUCSTTBAJMDOKB-IBGZPJMESA-N 321.424 3.840 10 40 DHCB CN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1 5529344 SXQWORXTAKPWCV-UHFFFAOYSA-N 320.845 3.523 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 5730507 YGPLBYMHBLFPEX-LFIBNONCSA-N 321.336 3.709 10 40 DHCB CC[C@H](N[C@H](CC)c1c(C)nn(C)c1C)c1ccccc1O 156105096 FOYSXIPDLAVMHT-JKSUJKDBSA-N 301.434 3.935 10 40 DHCB COc1ccccc1NC1=NC(=O)/C(=C/c2cccs2)S1 7276549 IVQLYPHHQCBHBY-LCYFTJDESA-N 316.407 3.839 10 40 DHCB O[C@@H](COc1ccc2ccccc2c1)CSc1nccs1 52914239 CILHAKGTLLYSHX-AWEZNQCLSA-N 317.435 3.828 10 40 DHCB CCn1c(O)c(/N=N/C(=O)C(O)(CC)CC)c2ccccc21 4553023 DAVZPCIUYSTLAE-ISLYRVAYSA-N 303.362 3.528 10 40 DHCB CCn1cnc2cc(NCc3cccc(OC)c3OC)ccc21 423355 XZYUTHUIZNPACI-UHFFFAOYSA-N 311.385 3.686 10 40 DHCB Cc1ccc([N+](=O)[O-])cc1/N=N/c1ccc(O)c(C(=O)O)c1 4771356 KQSFXPRHJQDGEW-FOCLMDBBSA-N 301.258 3.722 10 40 DHCB Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)cc1Cl)NCC2 19691296 BKSZHUYQRBSSEN-OAHLLOKOSA-N 310.180 3.640 10 40 DHCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1O 16161056 JSVTUXGXXGNNKO-KAMYIIQDSA-N 309.394 3.912 10 40 DHCB CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)SC1=S 19818305 PTOPTYYLWJIVMK-MDWZMJQESA-N 302.424 3.697 10 40 DHCB CCN(CC)c1ccc(/C=C2/SC(=S)N=C2O)c(O)c1 5261334 CJCFRERQOQYCMK-KPKJPENVSA-N 308.428 3.568 10 40 DHCB COc1ccccc1N1C(=O)/C(=C\c2ccco2)SC1=S 6674864 HUZGINKNISFYFR-UKTHLTGXSA-N 317.391 3.694 10 40 DHCB CN1C(=O)C2(Nc3cccc4cccc(c34)N2)c2ccccc21 49947082 HEPMBURYWVERGC-UHFFFAOYSA-N 301.349 3.507 10 40 DHCB OCc1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 226031808 CIHQFGOQPYKUIL-UHFFFAOYSA-N 301.773 3.866 10 40 DHCB COc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1 18063985 ABLLHEDHTSWWKQ-FMIVXFBMSA-N 307.440 3.695 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CCCCCC1 112108531 FFHSFLUVBBTRFX-JXAWBTAJSA-N 311.429 3.996 10 40 DHCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 7987130 IBWVHJMYDXDYQI-INIZCTEOSA-N 319.408 3.980 10 40 DHCB CN(C)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 8171674 DPLUIWFMKHAKPG-UHFFFAOYSA-N 318.420 3.765 10 40 DHCB CC1(C)OC(=O)C(=Cc2sc3ccccc3c2Cl)C(=O)O1 1405736 POAOOPFQZRRYAA-UHFFFAOYSA-N 322.769 3.774 10 40 DHCB COC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3 13579081 VCLNNIHWHAFBFS-SNVBAGLBSA-N 318.442 3.816 10 40 DHCB Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 96970983 ADNGVFVDYSBQQL-IBGZPJMESA-N 311.425 3.882 10 40 DHCB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1ccc(O)cc1O)N2 818044 WAIAVJLUQWOKKT-LJQANCHMSA-N 321.380 3.859 10 40 DHCB Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccco2)cc1 36634371 LVQFSPKQVVJDDG-UHFFFAOYSA-N 308.381 3.959 10 40 DHCB COc1c(Cl)cc(C(=O)Nc2ccc(N)cc2)cc1Cl 227157310 NSBQIEPWTWVCHB-UHFFFAOYSA-N 311.168 3.837 10 40 DHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(C)cc1 408737510 UCXLKPTWUCYGEL-GZTJUZNOSA-N 321.336 3.709 10 40 DHCB COC(=O)c1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1 409054126 ROERSUUHDMROHL-UKTHLTGXSA-N 312.346 3.516 10 40 DHCB O=C1/C(=C\c2cccs2)SC(=S)N1c1cccnc1 4567490 BAUDZONDFZALKO-YRNVUSSQSA-N 304.421 3.549 10 40 DHCB O=C(NCCc1ccc(O)c(O)c1)Nc1cccc2ccccc12 6864961 OYRFGAJYOBQBAP-UHFFFAOYSA-N 322.364 3.615 10 40 DHCB Oc1c([C@@H](c2ccccn2)N2CCCC2)ccc2cccnc12 19680908 OOOTUUPATQUCJO-SFHVURJKSA-N 305.381 3.521 10 40 DHCB Cc1c(C)c2cc(Cl)c(O)c(CNC3CCCC3)c2oc1=O 20573628 KPTJWQHQOZUUCW-UHFFFAOYSA-N 321.804 3.801 10 40 DHCB COC(=O)c1cccc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21 58850739 PPIHFWSJOAJAKG-XAYKYTGQSA-N 306.365 3.695 10 40 DHCB Cc1nc2ccccc2[n+](C)c1/C=C/c1ccc(N(C)C)cc1 75402883 BEPAVZVALIMEBC-UHFFFAOYSA-N 304.417 3.604 10 40 DHCB Cc1ccccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 408808283 DTYGEROPDMQPBT-DHDCSXOGSA-N 312.394 3.726 10 40 DHCB CC(=O)Oc1cccc(/C=C2/C=C(c3ccccc3)OC2=O)c1 1889102943 JLAPMQUTSJCTAX-YBEGLDIGSA-N 306.317 3.593 10 40 DHCB Cc1ccccc1N[C@@H]1SC(=S)N(c2ccccc2)C1=O 4663533 PSWDRJHRJKHYHR-CQSZACIVSA-N 314.435 3.798 10 40 DHCB CN(CCNC(=S)Nc1ccccc1Cl)c1ccccc1 16704909 NZWXNCVSFHVEKC-UHFFFAOYSA-N 319.861 3.763 10 40 DHCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccccc1F 5376121 DWGXRIGNCHTMMW-UKTHLTGXSA-N 316.382 3.627 10 40 DHCB CC(C)(C)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 5551892 KNQWLJABINGKQC-FLIBITNWSA-N 322.411 3.595 10 40 DHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccccc1O 6556665 OYEUAWADGAMQPS-RVDMUPIBSA-N 321.380 3.728 10 40 DHCB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)no2)c(O)c1 12154149 MLEYWUWQPDTSLN-MRXNPFEDSA-N 316.401 3.815 10 40 DHCB CCN1C(=O)/C(=C/c2cccn2-c2ccccc2)SC1=S 409376091 UGTJUMCJNWBOJG-KAMYIIQDSA-N 314.435 3.698 10 40 DHCB Cc1sc2ncnc(NCc3ccc(N(C)C)cc3)c2c1C 7366225 SACSCXYWQSCFSU-UHFFFAOYSA-N 312.442 3.986 10 40 DHCB Nc1ccc(Oc2cccc(I)c2)cc1 34962937 QZORNRHZIGWLSE-UHFFFAOYSA-N 311.122 3.666 10 40 DHCB Cc1ccc(/N=N\c2ccc(O)c(C(=O)O)c2)c([N+](=O)[O-])c1 104366274 XVVOGVLPDYKFBO-NXVVXOECSA-N 301.258 3.722 10 40 DHCB Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1ccc(F)cc1 7784859 QAXGVDOWIAQOGE-UHFFFAOYSA-N 309.344 3.881 10 40 DHCB Cc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1 225794816 IRYBNCSEXYNHRA-UHFFFAOYSA-N 313.470 3.726 10 40 DHCB O=C1N=C(Nc2cccnc2)S/C1=C/c1c[nH]c2ccccc12 5375844 ATIHMJYNJALXAA-OVCLIPMQSA-N 320.377 3.645 10 40 DHCB Cn1c(Cl)cnc1CN(Cc1ccccc1O)C1CCCC1 84303828 CAOKFFMQWJJVFT-UHFFFAOYSA-N 319.836 3.724 10 40 DHCB O=[N+]([O-])c1ccccc1NNC(=S)Nc1ccc(Cl)cc1 5602689 NLFDUTHFIPBYMU-UHFFFAOYSA-N 322.777 3.562 10 40 DHCB COc1cccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)c1 18063991 AQDYENAIQCXVRE-FMIVXFBMSA-N 307.440 3.695 10 40 DHCB O=C1NC(=S)S/C1=C\c1ccc(N2CCCCCC2)cc1 7155217 HVFOUXXFFOYVKM-KAMYIIQDSA-N 318.467 3.556 10 40 DHCB FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cccnc1 95949223 HQLWLLKRWMAEGX-UHFFFAOYSA-N 308.303 3.933 10 40 DHCB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O 7616078 SIALIHZXQKGULO-CQSZACIVSA-N 322.320 3.570 10 40 DHCB COCCCNCc1cc(C)n(-c2ccccc2Cl)c1C 223670647 IHQYEOLRCVSXEB-UHFFFAOYSA-N 306.837 3.874 10 40 DHCB COCCCNCc1cc(C)n(-c2cc(C)ccc2C)c1C 223667711 MITBGTAZPQTLLW-UHFFFAOYSA-N 300.446 3.837 10 40 DHCB Cc1cc2ccccn2c1C(=O)C(=O)c1c(C)cc2ccccn12 6667973 IRTJGPBLMYLCGP-UHFFFAOYSA-N 316.360 3.874 10 40 DHCB CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=S 13304773 FKHRDSDKJXQOAR-ACCUITESSA-N 322.480 3.668 10 40 DHCB CC(C)CN1C(=O)[C@H](Cc2ccc(Cl)cc2)SC1=S 6326110 BCDHZOWSQYNJAW-LBPRGKRZSA-N 313.875 3.767 10 40 DHCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1 112110016 RHUMADYCCYAALS-AQTBWJFISA-N 321.380 3.804 10 40 DHCB CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 4704739 SFCJROSYVDTCPG-PTNGSMBKSA-N 316.426 3.651 10 40 DHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1C1CCCCC1 23410554 KFLMWXXXDWJDCL-UVTDQMKNSA-N 319.451 3.926 10 40 DHCB CCOC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 37308136 AJGISEVHMUSAFN-UHFFFAOYSA-N 305.761 3.834 10 40 DHCB O=C1c2ccccc2C(=O)C12O[C@H]2c1cccc2ccccc12 552218 HQOXAKDEPRGBGD-IBGZPJMESA-N 300.313 3.729 10 40 DHCB Cc1ccc(C)c(CC(=O)NCc2ccc(N3CCCC3)cc2)c1 44846915 URSFQMKMPBQMOP-UHFFFAOYSA-N 322.452 3.763 10 40 DHCB Cc1cccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1 59135076 FUXGAPPARNERSG-XNTDXEJSSA-N 324.311 3.641 10 40 DHCB C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](c2ccccc2)O1 84714175 VHEJBRGYNOKZLC-QVKFZJNVSA-N 323.436 3.843 10 40 DHCB COc1ccccc1-n1c(C)cc(C(=O)NCc2ccco2)c1C 95476609 CURODYOOWOIWGB-UHFFFAOYSA-N 324.380 3.626 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)C[C@H](C)O2 408710781 KEYBVETXBVYDDV-CYUIRQCWSA-N 318.376 3.816 10 40 DHCB CCn1cnc2cc(NCc3ccc(OC)c(OC)c3)ccc21 423357 PYPDPHLWBSFGBH-UHFFFAOYSA-N 311.385 3.686 10 40 DHCB CCc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 4852815 SPVANIMKLPFLES-SXGWCWSVSA-N 320.344 3.959 10 40 DHCB Cc1cccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)c1 5797637 NYAQEGQTPLOURV-GXDHUFHOSA-N 312.419 3.796 10 40 DHCB COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 4743709 DOIRTVSKOLKWKZ-PDGQHHTCSA-N 306.365 3.810 10 40 DHCB COC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 879494 SWLJYNVOYXCVAQ-JKIFEVAISA-N 306.365 3.695 10 40 DHCB CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 3812939 YMVWGSQGCWCDGW-UHFFFAOYSA-N 324.384 3.660 10 40 DHCB investigational CCOc1ccccc1/C=C1\SC(NC2CCCC2)=NC1=O 20987389 PCPXKQSBWRUMIO-PTNGSMBKSA-N 316.426 3.588 10 40 DHCB CCOc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(F)c1 102447893 HCNNFMJZYRLUFS-WUKNDPDISA-N 324.333 3.887 10 40 DHCB COc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1OC 130004 BAHDPRXJBVKEAI-XNTDXEJSSA-N 308.333 3.685 10 40 DHCB CCc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12 20267003 RZNGOKRIFJADQX-UHFFFAOYSA-N 321.804 3.700 10 40 DHCB O=C(O)[C@@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@H]2C=CC[C@H]21 5024520 ANQJNJFYWVQYNR-MVKOHCKWSA-N 317.694 3.897 10 40 DHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 409167618 IYWKVPIDJRFTLN-RVKKMQEKSA-N 306.365 3.915 10 40 DHCB Cc1cc(Cl)c(C=C2C(=O)OC(C)(C)OC2=O)c(Cl)c1 1682774 MWYVRLNCGYFEFX-UHFFFAOYSA-N 315.152 3.521 10 40 DHCB CSc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 32722614 DVSKOMSONQSJIQ-UHFFFAOYSA-N 314.454 3.747 10 40 DHCB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1 55050587 QUDDEUPHAMQJGY-UHFFFAOYSA-N 314.322 3.797 10 40 DHCB CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CCC3 520990 KDROOZVOLAYLFO-UHFFFAOYSA-N 304.415 3.667 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5333859 JSAKBOOFKBJQSJ-UYRXBGFRSA-N 319.408 3.867 10 40 DHCB CN1CCN(C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)CC1 104359411 XRTOJWBQQPMCIX-MRCUWXFGSA-N 323.400 3.881 10 40 DHCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(O)c1 2451222 XMFRKRXRXVOTLB-NTEUORMPSA-N 313.403 3.798 10 40 DHCB O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccccc1 199821 GAHSXWJRAXSBGC-ATVHPVEESA-N 320.417 3.715 10 40 DHCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(F)c1 2258704 LCPBDAYLCQXUKF-LCYFTJDESA-N 316.382 3.627 10 40 DHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374624 FNZAZZSPSLYWCE-LCYFTJDESA-N 300.408 3.729 10 40 DHCB CCN(CCO)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)cc1 100530736 FOQABOMYTOFLPZ-ZCXUNETKSA-N 314.345 3.829 10 40 DHCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(F)c(F)c1 8322950 XJDSNJUYCOFPQG-ZROIWOOFSA-N 322.380 3.857 10 40 DHCB Cc1cc2n(n1)[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 13132428 HIBWKMQYVONBLF-IBGZPJMESA-N 304.397 3.897 10 40 DHCB CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O 89947916 GJROKUHUZCAWPH-IKGGRYGDSA-N 313.372 3.902 10 40 DHCB CC[C@H](Nc1ccc(NC(C)=O)cc1OC)c1ccccc1O 157455872 IUWBNAFOWHQAIE-HNNXBMFYSA-N 314.385 3.922 10 40 DHCB Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1cccnc1 409111946 ARSNBXYNWUSCEK-WQRHYEAKSA-N 315.376 3.982 10 40 DHCB COc1ccc(/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1 348489 SXNUSBFIUZRCSL-AQTBWJFISA-N 306.365 3.891 10 40 DHCB CN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S 58457474 KUCQGMRSWOXUMY-RMKNXTFCSA-N 303.330 3.536 10 40 DHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(N(C)C)cc1 100622156 HSRDYOVPKGBRPQ-NHKNDPDJSA-N 321.384 3.628 10 40 DHCB CN(C)c1ncc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)s1 255190697 YWPKBLLHANFNLT-UHFFFAOYSA-N 312.462 3.929 10 40 DHCB Cc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 7558650 NTSLHRYLLBYDQF-UHFFFAOYSA-N 313.470 3.808 10 40 DHCB COc1ccc(OC)c(C2=C/C(=C/c3ccc(C)cc3)C(=O)O2)c1 408723207 RBYPHGLXQKYDDX-GDNBJRDFSA-N 322.360 3.994 10 40 DHCB CCCCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 5215142 HBKHUEJCWDSVNU-SDNWHVSQSA-N 304.415 3.589 10 40 DHCB OCc1ccc(CCc2ccccc2)n1Cc1ccc(F)cc1 226028943 RFJXRWNPQQQSBF-UHFFFAOYSA-N 309.384 3.953 10 40 DHCB O=Nc1cc2c3c(c1C(=O)O)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 253574810 TWLSIDZOBGEBAW-UMSGYPCISA-N 322.364 3.936 10 40 DHCB Cc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1 3065609 RCBMCYDIJCNXTE-MDWZMJQESA-N 301.392 3.744 10 40 DHCB O=C1N[C@@H](c2ccc(N3CCCCC3)cc2)Nc2ccccc21 9379431 ZQKMFMRNULUOTF-SFHVURJKSA-N 307.397 3.531 10 40 DHCB C[C@@H](Cc1ccccc1)N/C=C1\C=C(c2ccccc2)OC1=O 17746428 QWGCUVSKLUOBNG-JZBMNUFDSA-N 305.377 3.689 10 40 DHCB Cc1ccc(/C=C2/SC(N3CCCC[C@@H]3C)=NC2=O)cc1 83332615 KHZIWWRLTHRYKA-JMRXEAOASA-N 300.427 3.840 10 40 DHCB O=C1c2ccccc2C(=O)C1c1ccccc1Br 100099851 XCYYDNADXPFCBU-UHFFFAOYSA-N 301.139 3.612 10 40 DHCB CN1C(=O)c2c(sc3c2CCCC3)N[C@H]1c1ccccc1O 548015 XTTLCCJIPCNMHW-OAHLLOKOSA-N 314.410 3.529 10 40 DHCB CN(C)c1ccc(CNc2ncnc3sc4c(c23)CCC4)cc1 6831774 DUOVULUZBGTYQB-UHFFFAOYSA-N 324.453 3.858 10 40 DHCB CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(O)cc1 13774154 ZDIMGASNRDKYCW-LFIBNONCSA-N 309.394 3.912 10 40 DHCB Cc1nc(N)nc(C)c1/N=N\c1ccc(Br)cc1 100183536 FPZAEQYEVHHLCO-ZCXUNETKSA-N 306.167 3.854 10 40 DHCB Oc1ccc2cc(Br)ccc2c1CN1CCCC1 3363035 UEDJRPIVEPAUPP-UHFFFAOYSA-N 306.203 3.904 10 40 DHCB O=C1[C@@H](Nc2ccc(F)cc2)SC(=S)N1c1ccccc1 4600505 QSRSTDLALZLGTF-ZDUSSCGKSA-N 318.398 3.629 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4450138 RCGSYABGPBFABC-JJRVBVJISA-N 323.352 3.825 10 40 DHCB CN(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 12524382 FLWZWNRWEXTXJU-VBKFSLOCSA-N 324.405 3.994 10 40 DHCB COc1ccc(C2=C/C(=C/c3ccccc3)C(=O)O2)cc1OC 4852792 REETZCQUPAMSCW-GDNBJRDFSA-N 308.333 3.685 10 40 DHCB CCOc1ccccc1/N=N/c1c(C)nc(N)nc1OCC 17141832 CFKDMTUDBVHWCW-FMQUCBEESA-N 301.350 3.580 10 40 DHCB CCc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1 20987444 ARGPYZSCIGEJFM-PTNGSMBKSA-N 300.427 3.752 10 40 DHCB CCCN(Cc1ccccc1O)C(=O)Cc1cccc(F)c1 58179129 ZGNVDMASRDFCRR-UHFFFAOYSA-N 301.361 3.513 10 40 DHCB CC(C)(C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 58866036 OKFFQBYXBVEAKF-UHFFFAOYSA-N 314.381 3.738 10 40 DHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 409163607 UWTQABIYVHYTGX-IIDMSEBBSA-N 306.365 3.915 10 40 DHCB CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=S 4119374 KPGJMYTVWMEGCB-BAQGIRSFSA-N 320.222 3.530 10 40 DHCB Cn1cccc1/C=C1/SC(Nc2ccccc2Cl)=NC1=O 2416760 XUCLSTPHKRPBIL-UKTHLTGXSA-N 317.801 3.761 10 40 DHCB Cc1ccc(N(Cc2ccco2)C(=O)/C=C/c2cnn(C)c2)cc1 23270898 CGPXEWHKDMLFFK-JXMROGBWSA-N 321.380 3.568 10 40 DHCB Cc1cc(=O)oc2c(C)c(O)c(CN(C)Cc3ccccc3)cc12 2130878 RUXKGCNDQRGTJA-UHFFFAOYSA-N 323.392 3.747 10 40 DHCB biogenic CCN(CC)c1ccc(/N=N/c2cn(C)nc2[N+](=O)[O-])cc1 4728839 OGDLPYIWBLDENU-FOCLMDBBSA-N 302.338 3.590 10 40 DHCB Cn1cccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 50590690 OSTTUSRLFZDUOT-RAXLEYEMSA-N 306.456 3.559 10 40 DHCB COCCCNCc1cc(C)n(-c2cc(C)cc(C)c2)c1C 223668903 ZILQNLQOTZEGJO-UHFFFAOYSA-N 300.446 3.837 10 40 DHCB COc1ccccc1Nc1nc(-c2ccc(O)c(O)c2)cs1 573290 YTMMUBJPDWUYOG-UHFFFAOYSA-N 314.366 3.974 10 40 DHCB CCC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccccc1O 95115930 SEHNDQRZQWGTFS-QGZVFWFLSA-N 308.381 3.788 10 40 DHCB CCOc1ccccc1/N=N/c1cc(CO)c(O)c(OC)c1 70462000 UCYDFMUXLUGUQB-ISLYRVAYSA-N 302.330 3.707 10 40 DHCB CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cc1 58268171 KWVHKDXNANTTSH-UHFFFAOYSA-N 314.385 3.845 10 40 DHCB CN(C)c1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)cc1 184072 OFYWCLPPONVQKJ-LQZBDKQGSA-N 318.376 3.762 10 40 DHCB O=S(=O)(O)c1ccc(/N=N\c2ccnc3ccccc23)cc1 17147046 HTVVKZNGOGTJES-ZCXUNETKSA-N 313.338 3.897 10 40 DHCB CC[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccccc1O 155135952 KQFLAFIBRUUSGV-SFHVURJKSA-N 324.424 3.760 10 40 DHCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 13130005 PEDXHPZSFZQYMI-WJDWOHSUSA-N 322.364 3.510 10 40 DHCB O=Nc1c(Br)ccc2c1C(=O)c1ccccc1C2=O 255190788 ZKSNKBBSWVZNDY-UHFFFAOYSA-N 316.110 3.622 10 40 DHCB CCCNC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260802890 OSHUWBSGIBTYFF-GJZGRUSLSA-N 303.450 3.693 10 40 DHCB Oc1c([C@@H](c2cccnc2)N2CCCCC2)ccc2cccnc12 20507225 GBDARHXDRCOYPX-LJQANCHMSA-N 319.408 3.911 10 40 DHCB Oc1c([C@H](c2ccccc2)N2CCOCC2)ccc2ccccc12 31658826 RBAHJVKVIABDMN-FQEVSTJZSA-N 319.404 3.967 10 40 DHCB C[C@H](NCc1ccccc1O)c1nc2cc(Cl)ccc2[nH]1 69814294 KMNGPURDNSZZKZ-JTQLQIEISA-N 301.777 3.773 10 40 DHCB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2[C@H](C)C(=O)OC 260722496 PFLHFBBTFYPYFH-CYBMUJFWSA-N 303.402 3.649 10 40 DHCB CCOc1ccc(-n2c(C)cc(C(=O)O)c2C)cc1OCC 20284807 VHBVWASPJZDXQZ-UHFFFAOYSA-N 303.358 3.590 10 40 DHCB COc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 5371316 ABLLHEDHTSWWKQ-XFXZXTDPSA-N 307.440 3.695 10 40 DHCB COc1cccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1O 4458730 MFZMOQWCDMCBOI-IBGZPJMESA-N 321.380 3.854 10 40 DHCB CN(C)c1ccc(/C=C(\c2ccccc2)c2nnc(N)s2)cc1 408718138 LYUXBLQEEXSPGI-FOWTUZBSSA-N 322.437 3.775 10 40 DHCB O=C1c2ccccc2C(=O)C12O[C@@H]2c1cccc2ccccc12 552220 HQOXAKDEPRGBGD-LJQANCHMSA-N 300.313 3.729 10 40 DHCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C/C=C/c1ccco1 4291514 FARBORZZVJAVDC-GSPDUGTFSA-N 312.350 3.624 10 40 DHCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1 28329767 VLVKKFYPHLXVEZ-UHFFFAOYSA-N 319.408 3.698 10 40 DHCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 35646906 WTYKHIMTDJVPCD-ZROIWOOFSA-N 314.366 3.679 10 40 DHCB Oc1c([C@H](Nc2ncccn2)c2ccco2)ccc2cccnc12 86363 QSDHABQFUBXYAT-INIZCTEOSA-N 318.336 3.525 10 40 DHCB CCCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 5043018 CQNXQTDTMUQRDD-NTCAYCPXSA-N 316.426 3.542 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C/C1=Cc2ccccc2OC1 100895347 QKVSJTYZNOUENV-LDADJPATSA-N 316.360 3.812 10 40 DHCB Cc1cc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)no1 5259751 UODGTQQSFANDQJ-UHFFFAOYSA-N 310.353 3.748 10 40 DHCB CCCNC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260802891 OSHUWBSGIBTYFF-LSDHHAIUSA-N 303.450 3.693 10 40 DHCB CC(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1 333367 UIOJEXKUHMUQHC-UHFFFAOYSA-N 310.441 3.838 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 4450136 RCGSYABGPBFABC-GRDNDAEWSA-N 323.352 3.825 10 40 DHCB Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 96398853 ROKQKIDRUDIHEA-NTEUORMPSA-N 312.419 3.796 10 40 DHCB Cc1cc(=O)oc2c1ccc1c(O)c(CN3CCCCC3)ccc12 9547887 QBGQNRFUPKJKNN-UHFFFAOYSA-N 323.392 3.946 10 40 DHCB CCCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 3156603 AVKJLYHKAYUVBF-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/C=C/c2ccco2)C1=O 8969861 XAMHEBJNOQXSOV-DBBRDBGQSA-N 322.320 3.651 10 40 DHCB CCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 4892215 XTXVNQPEWHXUAW-SDNWHVSQSA-N 320.483 3.754 10 40 DHCB O=C1N=C(Nc2cccc(Cl)c2)S/C1=C\c1ccncc1 8642628 WMNAKIDQHRXXPY-JYRVWZFOSA-N 315.785 3.817 10 40 DHCB Cc1cn2c(/C=C/C(=O)N3CCc4ccccc43)c(C)nc2s1 10741061 YWHSKDAKQPJLEW-BQYQJAHWSA-N 323.421 3.615 10 40 DHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCCC1 39995682 LPIDBUSSIBNDCS-UHFFFAOYSA-N 300.446 3.826 10 40 DHCB Oc1ccc(Br)cc1CNc1ccc2[nH]ncc2c1 1430583 WLEXOISNVITPQX-UHFFFAOYSA-N 318.174 3.643 10 40 DHCB Oc1cc2c(cc1CN1CCC[C@H]1c1cccs1)OCO2 7143258 IQDSRDYOOMTNAC-LBPRGKRZSA-N 303.383 3.520 10 40 DHCB CC(C)[C@@H](NCc1ccc(N(C)CCO)cc1)c1cccs1 48310709 PGSCLLMHVKSQLR-GOSISDBHSA-N 318.486 3.664 10 40 DHCB CC(C)N1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S 8869949 LFHUADMZJWEJQT-WULZRQGASA-N 319.451 3.620 10 40 DHCB CCOc1c(/N=N\c2ccc(Cl)cc2)c(C)nn1C(N)=S 104237525 WTAQWZSVBPRAAY-MSUUIHNZSA-N 323.809 3.751 10 40 DHCB CN(C)c1ccc(CNC(=O)c2cc3ccccc3cc2O)cc1 18215086 BKEHNNKIAIVQEG-UHFFFAOYSA-N 320.392 3.541 10 40 DHCB COCCCNCc1cc(C)n(-c2cccc(C)c2C)c1C 223666504 OZLUWUJJSNGFDT-UHFFFAOYSA-N 300.446 3.837 10 40 DHCB O=C1N[C@H](c2ccc(N3CCCCCC3)cc2)Nc2ccccc21 9471199 VIDCKLDHEVHEDL-LJQANCHMSA-N 321.424 3.921 10 40 DHCB O=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21 9609090 XBLHKQFYLHBIAP-ZDUSSCGKSA-N 309.152 3.553 10 40 DHCB Oc1cc2c(cc1O)[C@H](c1c(Cl)cccc1Cl)NCC2 19691290 YZFLIUNMFUXOHW-OAHLLOKOSA-N 310.180 3.640 10 40 DHCB COc1cccc(CNc2cccc(OC(F)(F)F)c2)c1O 40477106 JTCOMBJTTKPATM-UHFFFAOYSA-N 313.275 3.912 10 40 DHCB CN(CCCNC(=S)Nc1ccc(F)cc1)c1ccccc1 7558589 SNXQODXPWMGQHH-UHFFFAOYSA-N 317.433 3.639 10 40 DHCB O=C(Nc1ccccn1)N(Cc1ccco1)Cc1ccccc1O 89813915 DOQJOOVZIZRCBI-UHFFFAOYSA-N 323.352 3.615 10 40 DHCB COc1ccc2[nH]cc(/C=C/c3oc4ccccc4[n+]3C)c2c1 8739697 INQKQTBZJRQPPY-UHFFFAOYSA-O 305.357 3.918 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C)c2ccccc12 12577276 LDXSNVKQYCIAAK-PDGQHHTCSA-N 315.376 3.984 10 40 DHCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1cccs1 18085551 NCDWDTOWQJGHJG-XYOKQWHBSA-N 304.371 3.970 10 40 DHCB Nc1cccc2c1C(=O)c1cccc(Nc3ccccc3)c1C2=O 26770627 PDOVOESYDFLDBC-UHFFFAOYSA-N 314.344 3.788 10 40 DHCB CCOc1cccc(CNCc2ccc(SC)cc2)c1O 40477130 CBNDXUDKBRKQMF-UHFFFAOYSA-N 303.427 3.803 10 40 DHCB COc1ccc(C(C)(C)NC(=O)CCC2CCCC2)c(O)c1 95451307 QNGDULIVWFTNQH-UHFFFAOYSA-N 305.418 3.723 10 40 DHCB CCCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 4579216 OFNGKBLYLQYFGP-FMIVXFBMSA-N 322.411 3.596 10 40 DHCB CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12 20328250 GKHAULKKQBSAIH-UHFFFAOYSA-N 323.820 3.946 10 40 DHCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 409161019 SIVVBLBAINUZLC-VFVRVIDISA-N 306.365 3.915 10 40 DHCB O=C(O)[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@@H]21 35534081 UNJQLAQMGOQLCR-OKTBNZSVSA-N 317.694 3.897 10 40 DHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(F)c1 49740470 ISGACOLLQZLXCO-UHFFFAOYSA-N 312.388 3.746 10 40 DHCB COCCCNCc1cc(C)n(-c2ccc(Cl)cc2)c1C 223671785 JNWIZIFZRRBTQS-UHFFFAOYSA-N 306.837 3.874 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 112110331 DDLOAIQJWYLCJC-ATVHPVEESA-N 324.359 3.638 10 40 DHCB Cc1ccc(/N=N/c2c(N)nn3cc4c(nc23)CCCC4)cc1 16958955 BIOBOUAUSSZFBX-QZQOTICOSA-N 306.373 3.914 10 40 DHCB CCc1cc2c(C)cc(=O)oc2c(CN2CCCCCC2)c1O 56122 PMPAJTZXUQQNGZ-UHFFFAOYSA-N 315.413 3.745 10 40 DHCB Cc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 20483864 FQDFRDJJEWDECM-UHFFFAOYSA-N 322.452 3.844 10 40 DHCB O=C1/C(=C\c2ccccc2O)SC(=S)N1c1ccccc1 13476490 SSWOEIJGIJYHNZ-GXDHUFHOSA-N 313.403 3.798 10 40 DHCB Cc1cc([N+](=O)[O-])ccc1/N=N\c1ccc(O)c(C(=O)O)c1 104219676 NRODMGAIVPLJNR-NXVVXOECSA-N 301.258 3.722 10 40 DHCB COCCNCc1cc(C)n(-c2cc(Cl)ccc2C)c1C 223673385 HZQCAWWPNJMZIM-UHFFFAOYSA-N 306.837 3.792 10 40 DHCB Cc1n[nH]c(C)c1/N=N/c1ccc(Br)cc1C(=O)O 5955817 MLLYFQGKTWABES-WUKNDPDISA-N 323.150 3.903 10 40 DHCB COc1ccc(C(=O)C(=O)c2ccc(C)cc2Cl)cc1OC 409207444 XAEQKQCEKVMIJZ-UHFFFAOYSA-N 318.756 3.731 10 40 DHCB CN(C)c1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 18174740 IVKQWHDTCYRBJP-UHFFFAOYSA-N 303.793 3.728 10 40 DHCB CCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 409086366 QNVSBFVYUSYTKH-QGOAFFKASA-N 306.365 3.891 10 40 DHCB CC(=O)Nc1cccc(/N=[N+](\[O-])c2cccc(NC(C)=O)c2)c1 3845315 OWLCCGJWKWQEJK-VXPUYCOJSA-N 312.329 3.529 10 40 DHCB CCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)SC1=S 409127353 POEOVNIMYZLTNN-ZROIWOOFSA-N 316.451 3.882 10 40 DHCB Cc1cc([C@@H]2CCCN2Cc2c(O)ccc3ccncc23)on1 40555900 OGJUHXOTBHFMTB-INIZCTEOSA-N 309.369 3.574 10 40 DHCB CCCNC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 225774549 CMYNILHMZLMWEP-HNNXBMFYSA-N 303.450 3.693 10 40 DHCB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCCCC1 500189 TTWKCVCGGYFKMC-VHEBQXMUSA-N 300.362 3.829 10 40 DHCB O=C1NC(=S)S/C1=C/c1ccc(Oc2ccccc2)cc1 1483581 DNXCXYIPCYQEBG-GXDHUFHOSA-N 313.403 3.968 10 40 DHCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(F)cc1 13601411 ONVLDJVHCFBWJQ-ZSOIEALJSA-N 316.357 3.557 10 40 DHCB CCCCNc1nc(N)nc(N)c1/N=N/c1ccc(Cl)cc1 18213062 COBLUDPHKHGQBQ-QURGRASLSA-N 319.800 3.922 10 40 DHCB O=C1CSC(=S)N1c1ccc(Cl)cc1C(F)(F)F 4745806 XQSDRQKJICYALJ-UHFFFAOYSA-N 311.737 3.724 10 40 DHCB CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cccc(Cl)c1 5726159 BOEACIFSAZZRLL-MRXNPFEDSA-N 314.772 3.743 10 40 DHCB Cc1ccc(C(=O)C(=O)c2ccc(Br)cc2)cc1 60222721 AYXTYJUQIFFTQM-UHFFFAOYSA-N 303.155 3.823 10 40 DHCB O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(Cl)cc1 3337587 VWJZGZIZUNRLCR-UKTHLTGXSA-N 306.818 3.843 10 40 DHCB COc1cccc2c1C(=O)c1ccc3cc(C)cc(O)c3c1C2=O 4654727 YCYXQISGHUDFRO-UHFFFAOYSA-N 318.328 3.638 10 40 DHCB biogenic,in-vitro CCCN(Cc1ccccc1O)C(=O)Nc1cccc(OC)c1 58277616 VMYCBJCIJUPNDM-UHFFFAOYSA-N 314.385 3.845 10 40 DHCB COc1ccc(N2CCOc3nc4c(C)cccc4cc3C2)cc1 57710251 BPNZFAAOTJUZGA-UHFFFAOYSA-N 320.392 3.951 10 40 DHCB CSc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 4151846 PVBVTSBZGUUZKE-UHFFFAOYSA-N 318.394 3.552 10 40 DHCB COc1cccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1O 818024 MFZMOQWCDMCBOI-LJQANCHMSA-N 321.380 3.854 10 40 DHCB COc1ccc(/C=C2/SC(N3CCCC[C@@H]3C)=NC2=O)cc1 59475385 YMSUFAWJYMOSOW-YGRGUWMTSA-N 316.426 3.540 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NCc1ccccc1 100922836 QWQLHPCGQRXSJM-UYRXBGFRSA-N 319.408 3.700 10 40 DHCB Cc1ccc2c(/N=N\c3ccc(C(=N)N)cc3)ccc(O)c2n1 104231144 FWWWZMVEKAEMES-DQRAZIAOSA-N 305.341 3.948 10 40 DHCB COc1ccc(/N=N\C(=S)NNc2ccc(OC)cc2)cc1 104380880 AADKNNLBLFUNGR-ZPHPHTNESA-N 316.386 3.689 10 40 DHCB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1cccc(O)c1O)N2 818083 SYQNJAHDJFLKCN-IBGZPJMESA-N 321.380 3.859 10 40 DHCB C[C@@H](NCc1ccccc1O)c1nc2cc(Cl)ccc2[nH]1 69814295 KMNGPURDNSZZKZ-SNVBAGLBSA-N 301.777 3.773 10 40 DHCB COc1cccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1O 818129 HUDGKGLZCWMWQE-LJQANCHMSA-N 321.380 3.854 10 40 DHCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1C1CCCC1 13788020 FRAKJCYCCGYXHZ-LCYFTJDESA-N 307.415 3.970 10 40 DHCB CCCN1C(=O)/C(=C/c2ccc(C)c(OC)c2)SC1=S 409332558 QGCCRIILSCYNBZ-LCYFTJDESA-N 307.440 3.615 10 40 DHCB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1ccc(O)c(O)c1)N2 817725 UMLQWORIGGAHPP-GOSISDBHSA-N 307.353 3.551 10 40 DHCB CC1=CC(C)(C)N(C)c2ccc(/C=C3/SC(=O)NC3=O)cc21 208447941 WJBVCIWKTKSWCX-RIYZIHGNSA-N 314.410 3.642 10 40 DHCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1 975495 VVYUJGLIMFJYFM-OQLLNIDSSA-N 312.394 3.726 10 40 DHCB CCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CCC 103917648 CUEFXERFJHZMSI-VBKFSLOCSA-N 303.381 3.602 10 40 DHCB COc1ccc(C2=C/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 447587 GDXKSZFFEWOAOF-UVTDQMKNSA-N 323.304 3.585 10 40 DHCB COc1cc(/N=N\c2ccc(C(=O)N(C)C)cc2)c(C)cc1N 102838331 QVGOZIMKODUACB-VXPUYCOJSA-N 312.373 3.703 10 40 DHCB Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408973011 RHKLHLWOKNWWDB-LCYFTJDESA-N 320.270 3.937 10 40 DHCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3/SC(=O)NC3=O)cc21 208200995 YEQMANMCZPZQTO-WWNSAXIVSA-N 316.426 3.733 10 40 DHCB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 409159080 MLWSFEFOMDCJBZ-QWQRMKEZSA-N 306.365 3.915 10 40 DHCB CN1/C(=C/c2ccc3ccccc3[n+]2C)C=C[C@H]2C=CC=C[C@H]21 4276970 QGCJGCLODWUMIL-OXQOHEQNSA-N 301.413 3.618 10 40 DHCB CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 18119736 HNUOEUITWDCQQZ-PDGQHHTCSA-N 319.364 3.608 10 40 DHCB CN(C)c1ccc([C@H]2CC(c3ccc(Cl)s3)=NN2)cc1 1554502584 PODACJJHZWNNBG-GFCCVEGCSA-N 305.834 3.906 10 40 DHCB CCc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1 5561622 ULUSEVUAVCDMEV-VBKFSLOCSA-N 314.454 3.951 10 40 DHCB O=C(O)[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@H]12 35534078 UNJQLAQMGOQLCR-PTZCXBDSSA-N 317.694 3.897 10 40 DHCB CCOc1ccccc1/C=C1\SC(=S)N(CC(C)C)C1=O 409043308 DUPRFIVPTWECJT-ZROIWOOFSA-N 321.467 3.943 10 40 DHCB COc1ccc(C(=S)/C=C2/SC=C(C(=O)O)S2)cc1 17172943 KAWADYVCZDRWCY-SDQBBNPISA-N 310.421 3.661 10 40 DHCB Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1 96970984 ADNGVFVDYSBQQL-LJQANCHMSA-N 311.425 3.882 10 40 DHCB Nc1nn2cc3c(nc2c1/N=N\c1ccc(Cl)cc1)CCC3 104226595 HTTPMVXMOFJCSV-VXPUYCOJSA-N 312.764 3.869 10 40 DHCB Cn1cccc1/C=C1/SC(Nc2ccc(Cl)cc2)=NC1=O 2402985 HJBCFFKWTPRMHC-UKTHLTGXSA-N 317.801 3.761 10 40 DHCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccs2)SC1=S 409197470 GGDTXGIHQSHPHA-XYOKQWHBSA-N 320.464 3.704 10 40 DHCB C[C@H](CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12 6036518 OMMVCTMDWJLPLM-GFCCVEGCSA-N 324.384 3.658 10 40 DHCB COc1ccc2ccccc2c1/C=C1\SC(S)=NC1=O 8166545 YGHRMTBYJMUQLI-JYRVWZFOSA-N 301.392 3.749 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 5339959 XOJUOPLHELTGCW-BOPFTXTBSA-N 321.336 3.709 10 40 DHCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 13306753 VFWDOUPBVKMFTG-GHXNOFRVSA-N 305.355 3.575 10 40 DHCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCOCC1 43189348 DWGZOPNZMWWDQR-FMQUCBEESA-N 310.357 3.966 10 40 DHCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 409331696 PAEYTHKZJVQYNS-QQMDNXKGSA-N 307.440 3.695 10 40 DHCB CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]c2ccccc12 69324130 YRCZVICSPZCVOO-UHFFFAOYSA-N 322.408 3.855 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)cc1C 5797476 KXVOHUYXORHCBP-OQLLNIDSSA-N 309.394 3.781 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 112107967 IGGBFLRUDOGGGG-ATVHPVEESA-N 309.344 3.934 10 40 DHCB Oc1cccc([C@H](c2ccc3cccnc3c2O)N2CCCC2)c1 38243 GDKJUKABSCEYAQ-LJQANCHMSA-N 320.392 3.831 10 40 DHCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OC 12412901 IAXVYPJKYGNFGR-VBKFSLOCSA-N 322.364 3.510 10 40 DHCB COc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(C)c1C 72242356 YPZCSUIHDRSZFA-WUKNDPDISA-N 320.370 3.974 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccccc1 103916263 KQSUFEOIHAZXCZ-AQTBWJFISA-N 323.371 3.612 10 40 DHCB O=C1N=C(Nc2cccc(Cl)c2)S/C1=C/c1cccnc1 5855463 NRHVFZPIDQQNNR-NTUHNPAUSA-N 315.785 3.817 10 40 DHCB CCN(CC)c1ccc(CNC(=O)CCc2ccccc2)cc1 225660094 QCRWCLKMXYRXRH-UHFFFAOYSA-N 310.441 3.782 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@H]21 4450156 YHPMYMRNRYNJQI-GDZNZVCISA-N 323.352 3.825 10 40 DHCB CCN1C(=O)/C(=C\c2ccccc2OC(C)C)SC1=S 5981362 WUTQOVUZIDTROY-UKTHLTGXSA-N 307.440 3.695 10 40 DHCB CCCCCCN1C(=O)N=C(O)/C(=C/C=C/c2ccco2)C1=O 17028108 FCUYGRITXHDZNB-UZCZQPMLSA-N 316.357 3.718 10 40 DHCB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N)cc1 19736819 SCOZGMCVLCVKBB-ZDUSSCGKSA-N 312.413 3.972 10 40 DHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNc1ccc(C)cc1 408535024 XEWHCAXXAWGJHT-PDGQHHTCSA-N 320.396 3.527 10 40 DHCB CCCN1C(=O)/C(=C\c2cccc(OCC)c2)SC1=S 409332814 RJYOFTAPUDMHOO-JLHYYAGUSA-N 307.440 3.697 10 40 DHCB CCCOc1ccccc1/C=C1/SC(N2CCCC2)=NC1=O 2397952 AOQBHQYAKGLEMU-NTCAYCPXSA-N 316.426 3.542 10 40 DHCB CNC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 8986711 AJGHHNDVBIZUCP-GOSISDBHSA-N 306.365 3.564 10 40 DHCB O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ccccc34)CC2)nc1 32871912 YMJQTMDKLGXXQR-UHFFFAOYSA-N 320.352 3.765 10 40 DHCB CCOC(=O)c1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1 70462691 GSGOAMBBAFAPIH-ISLYRVAYSA-N 314.297 3.683 10 40 DHCB CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 32862334 PSEKNRRDKDVTEK-UHFFFAOYSA-N 303.450 3.617 10 40 DHCB CN(Cc1ccccc1O)C(=O)c1cc2ccccc2cc1O 42117888 TZHKGMFQNXMKPY-UHFFFAOYSA-N 307.349 3.523 10 40 DHCB C[C@@]12C(=O)C(=O)[C@]3(C)[C@@H]4C(C5[C@@H]1[C@H]1CCC[C@@H]1[C@H]53)[C@@H]2[C@H]1CCC[C@@H]14 104294370 UVLJRCWQJOYTNR-BVHFDJHHSA-N 324.464 3.735 10 40 DHCB O=C1N=C(Nc2cccnc2)S/C1=C\c1c[nH]c2ccccc12 5478708 ATIHMJYNJALXAA-NVNXTCNLSA-N 320.377 3.645 10 40 DHCB CC1=NN(c2ccccc2)C(=S)/C1=C(\NO)c1ccccc1 100989672 KIXRIBRMGPUKMI-NXVVXOECSA-N 309.394 3.600 10 40 DHCB CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 1446606 IBEHYIFSXLGAMD-LCYFTJDESA-N 301.392 3.778 10 40 DHCB CCN(CC)c1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1 3163893 DUWOBRRJCAUKCA-SAPNQHFASA-N 311.429 3.688 10 40 DHCB Cc1ccccc1-n1c(C)cc(C(=O)Cn2ccnc2C)c1C 95444427 SZVJDJQYNJRVLL-UHFFFAOYSA-N 307.397 3.790 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 100222384 QXKBEGVLFBOHNO-GHRIWEEISA-N 321.380 3.686 10 40 DHCB COc1ccc(N2CCC(NCc3ccsc3)CC2)cc1 78979909 SSCVNSPOYXOBJN-UHFFFAOYSA-N 302.443 3.515 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccccc1 103916339 AWYWPUUVAJQBHT-CYVLTUHYSA-N 319.408 3.515 10 40 DHCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 409331698 PAEYTHKZJVQYNS-YWEFTTLKSA-N 307.440 3.695 10 40 DHCB CCn1cnc2cc(NCc3ccc(OC)cc3OC)ccc21 423352 UQGAJKDYQCRFMH-UHFFFAOYSA-N 311.385 3.686 10 40 DHCB Cc1ccsc1/C=C1\SC(NC2CCCCC2)=NC1=O 7209211 KTAFFHLLOJAJFY-LCYFTJDESA-N 306.456 3.949 10 40 DHCB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(N)cc2)C1 225473037 UNLKZYLDNGCCAT-SCLBCKFNSA-N 312.388 3.560 10 40 DHCB CN(C)CCCNc1c2ccccc2nc2ccc([N+](=O)[O-])cc12 4991173 YBGPLGCFHRTAJZ-UHFFFAOYSA-N 324.384 3.660 10 40 DHCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1 6634226 OKVQEYDMYJQXDD-UHFFFAOYSA-N 308.761 3.586 10 40 DHCB O=C1/C(=C\c2ccco2)SC(=S)N1c1ccccc1F 5201264 YYEGFUCZMFDAJS-XYOKQWHBSA-N 305.355 3.825 10 40 DHCB COC(=O)c1cccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1 70462721 OERBFGWCKAGPOE-ISLYRVAYSA-N 314.297 3.601 10 40 DHCB COC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 223705511 BMZSRJMKPPEGPD-UHFFFAOYSA-N 308.175 3.643 10 40 DHCB Oc1c([C@H](c2cccnc2)N2CCCCC2)ccc2cccnc12 20507223 GBDARHXDRCOYPX-IBGZPJMESA-N 319.408 3.911 10 40 DHCB Cc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 223452353 NOFVGDSRXJGYSK-UHFFFAOYSA-N 322.452 3.763 10 40 DHCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374577 CRBHZDUFEBNLHC-HKLRHMNMSA-N 314.435 3.977 10 40 DHCB Cc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C 28336639 GFHCNOYHTYCYPH-UHFFFAOYSA-N 308.425 3.834 10 40 DHCB O=C1N=C(Nc2cccnc2)S/C1=C/c1ccccc1Cl 442327 JPXZEVRHSZTDGJ-MDWZMJQESA-N 315.785 3.817 10 40 DHCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccco1 103918021 XNUZHSNCZVTZBO-JXAWBTAJSA-N 323.396 3.846 10 40 DHCB C=CCOc1cccc(/C=C2\SC(=S)N(CCC)C2=O)c1 107738307 LUWICPKVRUILNW-KAMYIIQDSA-N 319.451 3.863 10 40 DHCB CN(Cc1ccccc1)c1ccc(/N=N/[C@H]2N(C)C=NN2C)cc1 31334360 MQTXAODTLDHXHR-MKSIGINJSA-N 322.416 3.511 10 40 DHCB CCN(Cc1ccc(COC)cc1)Cc1ccc(N(C)C)cc1 95453783 CXGBXOSKUSWZTJ-UHFFFAOYSA-N 312.457 3.921 10 40 DHCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 408605085 WTHKAHQGOVTHEM-SDQBBNPISA-N 323.345 3.714 10 40 DHCB Cc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 4745651 IIUSEYTYGKXCSJ-ZROIWOOFSA-N 315.419 3.989 10 40 DHCB CCN(CC(=O)NC(C)(C)C)Cc1cc(C(C)C)c(C)cc1O 12883446 CAMPIFRAUOZWEM-UHFFFAOYSA-N 320.477 3.561 10 40 DHCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3/SC(=O)NC3=O)cc21 208201031 YEQMANMCZPZQTO-CEITULEQSA-N 316.426 3.733 10 40 DHCB CN(C)c1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 5372145 MGAJVJBORAJJIV-RAXLEYEMSA-N 320.483 3.752 10 40 DHCB O=C(Cc1cccs1)NCc1ccc(N2CCCCC2)cc1 49740472 FIBIIKCSOHRFHK-UHFFFAOYSA-N 314.454 3.597 10 40 DHCB CCCNCc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3 13682093 LQSQTDKPTSBPNY-UHFFFAOYSA-N 321.804 3.530 10 40 DHCB CCCCCSc1scc(-c2ccc(O)c(O)c2)[n+]1C 2346485 DRSLEYRDPDQVOI-UHFFFAOYSA-O 310.464 3.933 10 40 DHCB CCOC(=O)c1sc2ncc3c(c2c1N)CCCCCC3 5585748 PCRWBCCXIQLQSY-UHFFFAOYSA-N 304.415 3.714 10 40 DHCB Cc1n[nH]cc1CN1CCCc2cc(OC(F)(F)F)ccc21 96003673 QJMWKOUKQMBJEU-UHFFFAOYSA-N 311.307 3.570 10 40 DHCB COc1ccc(N2C(=O)/C(=C\c3ccoc3)SC2=S)cc1 4578427 DGLMQNGGORPARV-MDWZMJQESA-N 317.391 3.694 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 4623312 CDJYFDJQABAREX-QFSBIZTOSA-N 323.352 3.825 10 40 DHCB Cc1cc(C=O)c(C)n1-c1cc([N+](=O)[O-])ccc1OC(C)C 8702399 YQBOBMKSIUBATI-UHFFFAOYSA-N 302.330 3.602 10 40 DHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccccc1 1005474 ZFGGWTSPWIUVKH-UVTDQMKNSA-N 313.403 3.798 10 40 DHCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccco2)cc1 6804317 SJJUCZCACOFFSF-UHFFFAOYSA-N 324.380 3.781 10 40 DHCB CCOc1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1O 55211539 VKGYRFKOXCRQAY-IBGZPJMESA-N 320.392 3.774 10 40 DHCB CCOc1cccc([C@H]2NCc3ccccc3-n3cccc32)c1O 55211538 VKGYRFKOXCRQAY-LJQANCHMSA-N 320.392 3.774 10 40 DHCB CN(C)c1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 4824572 HBAWWNWQLGRCOK-YHYXMXQVSA-N 308.341 3.708 10 40 DHCB COc1cccc(CN[C@@H](c2ccccc2)c2ccco2)c1O 95350761 FIGZEHCGCZLBOZ-SFHVURJKSA-N 309.365 3.873 10 40 DHCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(C)C1=O 409329228 CLPRWPDZVCLOCA-PEHNMLCRSA-N 307.440 3.695 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12 100006820 JLTZOAZBWCMUCX-GZTJUZNOSA-N 301.349 3.974 10 40 DHCB Cc1ccc(CN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 409054120 RNROFSLPYOFADF-ZROIWOOFSA-N 315.419 3.989 10 40 DHCB CC1=NN(c2ccccc2)C(=S)/C1=C/NCc1ccccc1 13590627 NRDXKLCWFRBYFE-GHRIWEEISA-N 307.422 3.884 10 40 DHCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc(F)c1 16268547 PHHAJJVDDSTTNX-AUWJEWJLSA-N 316.357 3.557 10 40 DHCB CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1OC 65584749 QMCIXXLXPUPUMB-UHFFFAOYSA-N 314.385 3.845 10 40 DHCB CN(/N=N\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 100535334 SOAWPNGIWQTSEH-PFONDFGASA-N 301.262 3.638 10 40 DHCB O=S(=O)(O)c1ccc(/N=N/N2CCCCC2)c2ccccc12 4831843 PBEQUKDQAFGWOP-WUKNDPDISA-N 319.386 3.571 10 40 DHCB Oc1ccc2ccncc2c1CN1CCC[C@@H](C(F)(F)F)C1 21965030 DLOVYEMGARDRKE-GFCCVEGCSA-N 310.319 3.715 10 40 DHCB O=S(=O)(O)c1ccc(/N=N\c2ccc(O)c(Cl)c2)cc1 104366252 NXCHQDZAQDBOSZ-PFONDFGASA-N 312.734 3.708 10 40 DHCB CC(C)(C)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235953 PIHXZRXGTIVESL-FLIBITNWSA-N 317.439 3.563 10 40 DHCB CN(CCCNC(=S)Nc1cccc(F)c1)c1ccccc1 225747865 CHIRPXGHCMOZKL-UHFFFAOYSA-N 317.433 3.639 10 40 DHCB Cc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)o1 1112294 FMTPBROQWDSGOJ-KPKJPENVSA-N 305.380 3.582 10 40 DHCB CCCCC1C(=O)N2c3ccccc3-c3ccccc3N2C1=O 1710120 VLJWATVEPCEBEN-UHFFFAOYSA-N 306.365 3.768 10 40 DHCB Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 31091161 SUVZJAPLDSZJBU-UHFFFAOYSA-N 309.413 3.917 10 40 DHCB CC(=O)Nc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1F 96485495 XGBRZLISRJTTPG-UHFFFAOYSA-N 319.355 3.601 10 40 DHCB COc1cccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)c1 5371298 AQDYENAIQCXVRE-XFXZXTDPSA-N 307.440 3.695 10 40 DHCB O=Nc1cc2c3c(c1C(=O)O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 59489763 TWLSIDZOBGEBAW-FVCCEPFGSA-N 322.364 3.936 10 40 DHCB COc1ccc(C2=C/C(=C\c3ccccc3OC)C(=O)O2)cc1 33409643 JFGYSJOKBZHUTR-RVDMUPIBSA-N 308.333 3.685 10 40 DHCB CCN1C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)SC1=S 409148125 YEIDUTQWXQPMNH-JYRVWZFOSA-N 306.456 3.661 10 40 DHCB COc1cccc(/C=C2\C=C(c3cccs3)OC2=O)c1OC 409053736 OXGCANGYNGJHEX-FMIVXFBMSA-N 314.362 3.747 10 40 DHCB COc1cc(C)ccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 9011872 FETDBYYKQPCITI-VBKFSLOCSA-N 321.380 3.722 10 40 DHCB O=C(NCc1ccc(N2CCCCC2)cc1)NC1CCCCC1 49740476 MNZJYJVCTGABIX-UHFFFAOYSA-N 315.461 3.809 10 40 DHCB CCN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 483107 RXHWJDZQPLXMFY-XMHGGMMESA-N 319.408 3.949 10 40 DHCB CN(CC(=O)O)c1ccc(/C=C\c2ccnc3ccccc23)cc1 17162424 QAJCAHJKOXUFFT-TWGQIWQCSA-N 318.376 3.926 10 40 DHCB Oc1ccc(Br)cc1[C@@H]1CC(c2ccccc2)=NN1 20390571 YRJFRUONZWYCFR-AWEZNQCLSA-N 317.186 3.593 10 40 DHCB CCOC(=O)c1sc2nc(CC(C)C)c3c(c2c1N)CCC3 554461 HNTNAANASYHTEV-UHFFFAOYSA-N 318.442 3.742 10 40 DHCB CCCCN(C)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12 19791722 JKNQLGYLESHUPX-UHFFFAOYSA-N 309.793 3.692 10 40 DHCB CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1 32666151 GNMLAMGWIJFCNT-GOSISDBHSA-N 324.380 3.520 10 40 DHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc2ccccc12 58866149 IHMZJZYQGURQDY-UHFFFAOYSA-N 308.333 3.594 10 40 DHCB COc1ccc(/C=C2/SC(N3CCCC[C@H]3C)=NC2=O)cc1 59475384 YMSUFAWJYMOSOW-PKVLTRFUSA-N 316.426 3.540 10 40 DHCB Cc1cccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c1 5374625 ZGBJFBORRYMPNJ-LCYFTJDESA-N 300.408 3.729 10 40 DHCB O=C1C2=C(/C=C/c3ccccc3)OCCC2=NN1c1ccccc1 5663285 FCQJNHASUUTYLF-VAWYXSNFSA-N 316.360 3.777 10 40 DHCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc(F)c1 1151198 GMDTUSXWTGYHHK-WQLSENKSSA-N 304.371 3.560 10 40 DHCB CCCC(=O)N[C@H](c1ccco1)c1ccc2cccnc2c1O 245261 DLVGGIJXBVWJND-KRWDZBQOSA-N 310.353 3.539 10 40 DHCB Cc1cc2n(n1)[C@@H](c1cccc(O)c1O)Nc1c(C)cccc1-2 382404 ABYCEAJCZRBCBO-SFHVURJKSA-N 307.353 3.551 10 40 DHCB Cc1cccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1 2432512 SYFBDAIOUTXVJH-UVTDQMKNSA-N 314.435 3.739 10 40 DHCB CN(C)c1cccc(NC(=O)c2ccccc2Br)c1 20215760 PZQGBYMRWNFMQJ-UHFFFAOYSA-N 319.202 3.767 10 40 DHCB Cc1occc1C(=O)N(Cc1ccco1)Cc1ccccc1O 71808907 YBJOGLJAZGNZEA-UHFFFAOYSA-N 311.337 3.729 10 40 DHCB COc1cc(/N=N/c2ccc(C(=O)N(C)C)cc2)c(C)cc1N 18033133 QVGOZIMKODUACB-FMQUCBEESA-N 312.373 3.703 10 40 DHCB CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 2572998 PVTMCEXSFQBUFM-RAXLEYEMSA-N 307.440 3.784 10 40 DHCB Cc1ccsc1/C=C1/SC(N2CCC[C@@H](C)C2)=NC1=O 3636029 AYOMMTVPKBYFPR-SEEODLKFSA-N 306.456 3.759 10 40 DHCB O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCCC[C@@H]12 2204207 FFHVQJJCJBEJJW-GOSISDBHSA-N 317.388 3.667 10 40 DHCB COc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)c(OC)cc1N 104084179 KBJGBAOGDZOYIZ-MSUUIHNZSA-N 302.290 3.610 10 40 DHCB COc1ccc(/C=C2\C=C(c3cccs3)OC2=O)c(OC)c1 409050848 BEFSOKMTERJOSO-XYOKQWHBSA-N 314.362 3.747 10 40 DHCB COC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 5611409 UNGJHSQEHLFSCF-UHFFFAOYSA-N 318.785 3.986 10 40 DHCB C[C@@]12C(=O)C(=O)[C@]3(C)[C@@H]4C(C5[C@@H]1[C@H]1CCC[C@@H]1[C@H]53)[C@H]2[C@H]1CCC[C@@H]14 104294374 UVLJRCWQJOYTNR-RRVNFCQKSA-N 324.464 3.735 10 40 DHCB Cc1cc(/N=N/c2ccccc2)ccc1NCS(=O)(=O)O 4822127 UOFIQVXGMCMCSS-WUKNDPDISA-N 305.359 3.668 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 33285557 BIRNYNDGPHXWQJ-LDADJPATSA-N 323.371 3.698 10 40 DHCB Cc1cc(/N=N/c2ccc(C(=O)O)cc2)cc(C(=O)O)c1O 70462714 DCFKIQNDSCQESS-WUKNDPDISA-N 300.270 3.512 10 40 DHCB Cc1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1 1817162 YGJRHBRFJRPKEX-ZROIWOOFSA-N 312.419 3.796 10 40 DHCB Cn1cc([C@@H]2CCCCCN2Cc2cc(Cl)ccc2O)cn1 19290607 HBFBXRXWXMKFIB-INIZCTEOSA-N 319.836 3.896 10 40 DHCB CCN(CC)c1ccc(CNc2ncn(C(C)(C)C)n2)cc1F 97143595 NPBNTTFMOCYCSK-UHFFFAOYSA-N 319.428 3.631 10 40 DHCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1 95932261 LVBPHLAXVQTNMV-GHRIWEEISA-N 323.396 3.932 10 40 DHCB CCc1oc2ccccc2c1CN(C)C(=O)Cc1ccc(N)cc1 225469802 ISVCWVXDSVKVQE-UHFFFAOYSA-N 322.408 3.779 10 40 DHCB Oc1c([C@H](c2ccncc2)N2CCCCC2)ccc2cccnc12 21486916 HQZGAUZNJLVVJU-IBGZPJMESA-N 319.408 3.911 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1O 100929722 CRIAPAQJXSBRAC-WJDWOHSUSA-N 321.380 3.728 10 40 DHCB Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 5588245 PMAKCBWGHBBQRK-GXDHUFHOSA-N 312.419 3.796 10 40 DHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409022389 MTOVMMVPETZHJT-RVDMUPIBSA-N 318.442 3.978 10 40 DHCB O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21 9609087 XBLHKQFYLHBIAP-CYBMUJFWSA-N 309.152 3.553 10 40 DHCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 13778997 CRXOJRNQJIRQAN-LCYFTJDESA-N 318.398 3.570 10 40 DHCB CC(=O)Nc1nn(-c2ccccc2)nc1/N=N/c1ccccc1 5378290 DAGMVLWLYVCNGL-VHEBQXMUSA-N 306.329 3.641 10 40 DHCB COc1cc([C@H]2CCNc3ccccc3N2)cc(OC)c1OC 6732209 DIXYUTKQPLAJAR-CYBMUJFWSA-N 314.385 3.681 10 40 DHCB Cc1cc2n(n1)[C@H](c1cccc(O)c1O)Nc1c(C)cccc1-2 382403 ABYCEAJCZRBCBO-GOSISDBHSA-N 307.353 3.551 10 40 DHCB Cc1cccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)c1C 5547732 WRIPNMBMBOXCID-OQLLNIDSSA-N 309.394 3.781 10 40 DHCB COCCn1c(-c2ccccc2)cnc1NCc1ccccc1O 4679253 ORVDWSNWAIHHFF-UHFFFAOYSA-N 323.396 3.514 10 40 DHCB Cc1oc2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc1-2 4785917 XEMFSKXFWNHKIS-UHFFFAOYSA-N 316.312 3.865 10 40 DHCB aggregator O=C(Nc1cccc(Cl)c1)c1sc2ncccc2c1O 8717089 HGSIMJDWUSUPID-UHFFFAOYSA-N 304.758 3.908 10 40 DHCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2)S1 35644114 SQZLMBXBUAINEV-RVDMUPIBSA-N 310.378 3.778 10 40 DHCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 357266 KZYVUYRZKKNESR-UHFFFAOYSA-N 313.378 3.655 10 40 DHCB Cc1ccc2c(c1Br)C(=O)c1ccccc1C2=O 3845303 IIBQNLHDOXRQTQ-UHFFFAOYSA-N 301.139 3.533 10 40 DHCB biogenic Cc1cc([C@H]2CCCN2Cc2c(O)ccc3ccncc23)on1 40555902 OGJUHXOTBHFMTB-MRXNPFEDSA-N 309.369 3.574 10 40 DHCB C[C@@H](Sc1nccs1)C(=O)Nc1cccc2ncccc12 52914422 OEBMKGHXHDAPIX-SNVBAGLBSA-N 315.423 3.811 10 40 DHCB COc1cc(/N=N/c2c(C)nc(N)nc2C)c(OC)cc1Cl 100401907 BAQZWBLJIQOAKS-FMQUCBEESA-N 321.768 3.762 10 40 DHCB Cc1c(C)c2cc(CN3CCC(C)CC3)c(O)c(C)c2oc1=O 2131903 SITNFQMQLXAIEH-UHFFFAOYSA-N 315.413 3.656 10 40 DHCB biogenic CCCCSc1nnc2c(n1)OC(C)=Nc1ccccc1-2 6721541 CRSOEZCBSBDFQX-UHFFFAOYSA-N 300.387 3.873 10 40 DHCB C[C@H](NC(=O)c1cccnc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225431249 BLZDCQRYPJFZEL-CVEARBPZSA-N 323.440 3.809 10 40 DHCB Oc1cc2c(cc1CN1CCC[C@@H]1c1cccs1)OCO2 7143261 IQDSRDYOOMTNAC-GFCCVEGCSA-N 303.383 3.520 10 40 DHCB CC(=O)c1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 104091010 VQNLDKMJLAFONL-NRTINQSCSA-N 320.352 3.764 10 40 DHCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)C 199195 DQGLNLRLLSVKMR-GZTJUZNOSA-N 323.396 3.783 10 40 DHCB Cn1c(=O)c(/N=N/c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 106409963 XXSLVBDPACXUDO-ISLYRVAYSA-N 324.296 3.568 10 40 DHCB CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O 32101835 SFCJROSYVDTCPG-RVDMUPIBSA-N 316.426 3.651 10 40 DHCB CCN(Cc1ccc(N(C)C)cc1)C(=O)CCSCC(C)C 72280545 QXMGSCMNOJFHGE-UHFFFAOYSA-N 322.518 3.880 10 40 DHCB C[C@@H](NC(=O)c1cccnc1)c1ccc(N2CCCCC2)cc1 225431100 LSMJHVDECHIFJU-OAHLLOKOSA-N 309.413 3.563 10 40 DHCB Cc1cccc(Cl)c1/N=N\c1c(C)nn(C(N)=S)c1C 16928741 SCUVZGPSGSPBET-MSUUIHNZSA-N 307.810 3.969 10 40 DHCB Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1cccc(F)c1 44838784 IFIVEIKRYNCHRQ-UHFFFAOYSA-N 309.344 3.881 10 40 DHCB CN(C)c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1F 97227394 BPQQWKNFMIUJRC-UHFFFAOYSA-N 313.298 3.918 10 40 DHCB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2[C@@H](C)C(=O)OC 223825621 PFLHFBBTFYPYFH-ZDUSSCGKSA-N 303.402 3.649 10 40 DHCB O=C1[C@H](Nc2ccc(F)cc2)SC(=S)N1c1ccccc1 4600504 QSRSTDLALZLGTF-CYBMUJFWSA-N 318.398 3.629 10 40 DHCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13668841 AHPDPMJHHMQATG-UHFFFAOYSA-N 308.425 3.915 10 40 DHCB Oc1ccc(/C=C/CC[C@@H](O)CCc2ccc(O)c(O)c2)cc1 64527818 RECNHCLFPNYLCU-BCMPFUBYSA-N 314.381 3.591 10 40 DHCB biogenic,in-vitro COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 4450172 PMRRCKNRSSPACP-DCGLDWPTSA-N 323.352 3.825 10 40 DHCB CN(C1=NC(=O)/C(=C/C=C/c2ccco2)S1)c1ccccc1 5374558 CUKCJRKMMRNFBS-FICCRWLQSA-N 310.378 3.943 10 40 DHCB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248325 MBPTXYHSJUBASM-AATRIKPKSA-N 320.732 3.693 10 40 DHCB COCCNCc1cc(C)n(-c2cccc(Cl)c2C)c1C 223672279 OEHRRDQOFIQYMH-UHFFFAOYSA-N 306.837 3.792 10 40 DHCB COC(=O)c1sc2c(cnc3c(OC)ccc(Cl)c32)c1O 64874721 GUPXBNWPCUIVDJ-UHFFFAOYSA-N 323.757 3.604 10 40 DHCB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C)C(=O)OC 260726392 YJGYKJMLINPIIF-CHWSQXEVSA-N 305.418 3.739 10 40 DHCB CCc1ccc(NC2=NC(=O)/C(=C/c3cccn3C)S2)cc1 6570424 FZQHVGHLCYXRFF-PTNGSMBKSA-N 311.410 3.670 10 40 DHCB Cc1nc(N)nc(C)c1/N=N/c1ccccc1Br 16930759 ISJKOJCOKJISML-ISLYRVAYSA-N 306.167 3.854 10 40 DHCB Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1 58300290 JPHVCLNHEZOMDK-UHFFFAOYSA-N 308.425 3.616 10 40 DHCB CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 254611702 FOQABOMYTOFLPZ-UHFFFAOYSA-N 314.345 3.829 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 4450161 SXQGNZRWBGBQJY-JJRVBVJISA-N 323.352 3.825 10 40 DHCB CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C 16887576 VXHNRBUTQCOMQU-LGMDPLHJSA-N 306.365 3.891 10 40 DHCB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)c(O)c1)N2 817724 UMLQWORIGGAHPP-SFHVURJKSA-N 307.353 3.551 10 40 DHCB COC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 4959626 SWLJYNVOYXCVAQ-GRDNDAEWSA-N 306.365 3.695 10 40 DHCB Cc1cc2n(n1)[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 13132427 HIBWKMQYVONBLF-LJQANCHMSA-N 304.397 3.897 10 40 DHCB O=C(COC(=O)C1CC1)Nc1ccc(/N=N/c2ccccc2)cc1 18168587 UEGFVGOEWBSEFF-QZQOTICOSA-N 323.352 3.994 10 40 DHCB COC(=O)c1ccccc1/N=N/c1cc(C)c(O)c(C(=O)O)c1 70462726 DTJNRRIWADFGLD-ISLYRVAYSA-N 314.297 3.601 10 40 DHCB COc1ccc(/C=C2\SC(=S)N(C)C2=O)c2ccccc12 1201273 XGQUQIBGTOXAPY-ZROIWOOFSA-N 315.419 3.679 10 40 DHCB CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 5913603 MPYAIWUBRAACFI-VMPITWQZSA-N 304.223 3.824 10 40 DHCB COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1 33028153 NKDAISNZGBJTBZ-UHFFFAOYSA-N 321.380 3.750 10 40 DHCB Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C=CSC4=NC3=O)c2c1 41108260 JJHMXIFGWUWHDO-TUWMJTPHSA-N 322.393 3.562 10 40 DHCB CCOC(=O)c1c(C)n[nH]c1/N=N/c1cc(C)cc(C)c1O 6564680 FBGATGHGYCYTQF-HTXNQAPBSA-N 302.334 3.633 10 40 DHCB C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 25356114 BQRXREOXLWAAQA-INIZCTEOSA-N 320.440 3.789 10 40 DHCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccsc1 8238621 MPTYKPCGDDGZRF-KPKJPENVSA-N 304.371 3.970 10 40 DHCB CCn1c(NC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 27923365 JKYWFAYHRIFPEI-UHFFFAOYSA-N 322.368 3.903 10 40 DHCB Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)CCCC1=N2 102719789 KNNXZODTZZRWQF-HNNXBMFYSA-N 312.325 3.608 10 40 DHCB O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(F)cc1 1210346 NQKUDNSCMNWXLO-XYOKQWHBSA-N 305.355 3.825 10 40 DHCB CCCc1nc2sc(C(=O)OCC)c(N)c2c2c1CCCC2 499222 SBDUHXVQJBTYGG-UHFFFAOYSA-N 318.442 3.887 10 40 DHCB Cn1cccc1C1=NN=C(Nc2ccccc2Cl)SC1 23622531 WZPHVWZZAZPRFO-UHFFFAOYSA-N 304.806 3.598 10 40 DHCB CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 3161188 WSZZFCCDQMIZNK-WTKPLQERSA-N 304.223 3.824 10 40 DHCB Cc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 5371121 RCQKFYDBLLYRCZ-ZROIWOOFSA-N 315.419 3.989 10 40 DHCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Cc1ccco1 27230040 GMDWICZEBUVQOV-NYNQDTEKSA-N 317.391 3.830 10 40 DHCB Nc1ccc(OCCCCCCOc2ccc(N)cc2)cc1 2029748 GRFCDFDVGOXFPY-UHFFFAOYSA-N 300.402 3.869 10 40 DHCB Cc1ccc(C(=O)C(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 8369825 IKYDWZHMTNDSKN-UHFFFAOYSA-N 303.701 3.622 10 40 DHCB Cc1cc(C(=O)NCC2CC2)c(C)n1-c1cccc(Cl)c1 48311632 JRJNZPXGEWADFJ-UHFFFAOYSA-N 302.805 3.887 10 40 DHCB c1ccc(-c2nc(/N=N/c3n[nH]c(-c4ccccc4)n3)n[nH]2)cc1 102417941 SHBNVHHGWQIDJQ-WCWDXBQESA-N 316.328 3.672 10 40 DHCB Cc1cc(NCCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 4774774 YOUNKHUSQXZFNZ-ISLYRVAYSA-N 300.318 3.723 10 40 DHCB CCc1ccccc1NC1=NC(=O)/C(=C/c2cccn2C)S1 6871096 AFICCCIDLMVKLA-PTNGSMBKSA-N 311.410 3.670 10 40 DHCB COc1ccc(-n2c(C)cc(CNCc3cccnc3)c2C)cc1 12549731 YFWGGYHOKOSGBC-UHFFFAOYSA-N 321.424 3.788 10 40 DHCB Cc1ccc(N(C)CCNC(=S)Nc2cccc(C)c2)cc1 225794778 JEWFVUULXJBCOB-UHFFFAOYSA-N 313.470 3.726 10 40 DHCB CCOC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)n1c(C)ccc1C 6783843 MXMHMHHOPWTZIG-INIZCTEOSA-N 316.357 3.556 10 40 DHCB CCN(CC)c1ccc(CNc2nc(-c3ccco3)n[nH]2)cc1 9667695 KHZYIFDJKDVASG-UHFFFAOYSA-N 311.389 3.523 10 40 DHCB Cc1ccsc1C(=O)NCc1ccc(N2CCCC2)cc1 28336872 OHFVQLHKTLCWFM-UHFFFAOYSA-N 300.427 3.587 10 40 DHCB O=C1N[C@H](c2ccc(N3CCCCC3)cc2)Nc2ccccc21 9379430 ZQKMFMRNULUOTF-GOSISDBHSA-N 307.397 3.531 10 40 DHCB Nc1nc(Nc2ccccc2)c(/N=N/c2ccccc2)c(=O)[nH]1 16982817 MALRQTQWILDSIS-QURGRASLSA-N 306.329 3.511 10 40 DHCB CCCCN1C(=O)/C(=C/C=C2/CC(C)(C)CN2C)SC1=S 57838182 UAAVMQTUBLHHRK-AJDRMPRJSA-N 324.515 3.776 10 40 DHCB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(N)cc2)C1 225472962 UNLKZYLDNGCCAT-UGSOOPFHSA-N 312.388 3.560 10 40 DHCB COc1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 59425953 SZXTZERLRYUEPE-VBKFSLOCSA-N 321.376 3.743 10 40 DHCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc2ccccc12 241972 HCZSPKGQHOGVDF-UHFFFAOYSA-N 322.360 3.984 10 40 DHCB COc1cc(C)c([C@@H](C)NCc2ccccc2O)cc1OC 78394096 BFBHRFOBGVMLQX-CYBMUJFWSA-N 301.386 3.569 10 40 DHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 409163608 UWTQABIYVHYTGX-RVKKMQEKSA-N 306.365 3.915 10 40 DHCB O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(Cl)c1 8117787 DXBREFSLQQRPNG-RAXLEYEMSA-N 306.818 3.796 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 12629879 RCGSYABGPBFABC-JKIFEVAISA-N 323.352 3.825 10 40 DHCB Cc1cc(C(=O)NC2CCCCCC2)c(C)n1-c1ccccn1 30585842 DKPHKXSTKBMVAD-UHFFFAOYSA-N 311.429 3.942 10 40 DHCB CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 96782 LEKFXVWEOQBFIN-JXAWBTAJSA-N 320.392 3.877 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(C)c([N+](=O)[O-])c1 993825 KNDZRIPYXWCQIH-MHWRWJLKSA-N 321.336 3.709 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21 1128326 MHUKBXYJDIIFCE-AHIWAGSCSA-N 323.352 3.825 10 40 DHCB COc1ccc(CN2CCCCC[C@H]2c2cc(C)no2)c(O)c1 12154150 MLEYWUWQPDTSLN-INIZCTEOSA-N 316.401 3.815 10 40 DHCB COC(=O)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 223704603 MSDYRKZMZRZAKP-UHFFFAOYSA-N 322.202 3.952 10 40 DHCB CC(C)COc1ccccc1/C=C1\SC(=S)N(C)C1=O 408599649 IRMIRYXYNXKCQJ-JYRVWZFOSA-N 307.440 3.552 10 40 DHCB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1cccc(O)c1O)N2 818084 SYQNJAHDJFLKCN-LJQANCHMSA-N 321.380 3.859 10 40 DHCB CC1=NN(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 3861958 BWLKBNPCIDJFBF-WOJGMQOQSA-N 323.371 3.698 10 40 DHCB CCc1cc2c(C)cc(=O)oc2c(CN2CCC(C)CC2)c1O 137927 VNOSBRBTSMDLFT-UHFFFAOYSA-N 315.413 3.601 10 40 DHCB biogenic COc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 199942 KTGJQVUDYIVYNM-UVTDQMKNSA-N 323.304 3.585 10 40 DHCB Oc1ccccc1C1N=c2c(c3ccccc3c3ccccc23)=N1 10233272 KGZDFIMVQJKIPU-UHFFFAOYSA-N 310.356 3.650 10 40 DHCB COc1ccccc1/C=C1/SC(=S)N(C(C)(C)C)C1=O 35038884 UIALMSLCGUQRAU-FMIVXFBMSA-N 307.440 3.695 10 40 DHCB CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2Cl)cc1 53984089 XQBNAOSIHGBXAY-UHFFFAOYSA-N 321.783 3.867 10 40 DHCB CCN(CC)c1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1 408542136 HKKPBWXZRIYNFZ-FLIBITNWSA-N 301.346 3.908 10 40 DHCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c1 8744368 JBNMIQMGZMHTHX-DHDCSXOGSA-N 312.394 3.726 10 40 DHCB CN(C)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=S)cc1 4109370 KAXXQNWJUOLBJQ-FOWTUZBSSA-N 323.421 3.651 10 40 DHCB Cc1ccc(C(=O)NC(=S)c2c(C)cc3ccccn23)cc1 5446694 IUAHAUYRPYRGMM-UHFFFAOYSA-N 308.406 3.662 10 40 DHCB Cc1ccccc1N1C(=O)/C(=C/c2ccco2)SC1=S 13547364 JCECVTRQIWPIIT-LCYFTJDESA-N 301.392 3.994 10 40 DHCB CN(Cc1ccccc1O)C(=O)Nc1nc2ccccc2s1 45827163 DXITYLQXBYIVQI-UHFFFAOYSA-N 313.382 3.666 10 40 DHCB Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 4649828 ZRFVBXYRDIUDPG-UHFFFAOYSA-N 322.239 3.902 10 40 DHCB COc1ccc(NC2=NC(=O)/C(=C\c3cccs3)S2)cc1 9417718 HQLXSTSIWKJRKI-UKTHLTGXSA-N 316.407 3.839 10 40 DHCB O=C(/C=C/c1ccccc1)NCc1ccc(N2CCCC2)cc1 10113478 WKGVXNVWYCILQT-JLHYYAGUSA-N 306.409 3.616 10 40 DHCB O=C(O)[C@@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@@H]2C=CC[C@@H]12 13140583 ANQJNJFYWVQYNR-OPVBNTEQSA-N 317.694 3.897 10 40 DHCB Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)CCCC1=N2 102719786 KNNXZODTZZRWQF-OAHLLOKOSA-N 312.325 3.608 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4450139 RCGSYABGPBFABC-VBQJREDUSA-N 323.352 3.825 10 40 DHCB Cc1ccc(O)c(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 3861419 FOKSPEFAGGJDHP-CCEZHUSRSA-N 318.245 3.638 10 40 DHCB Nc1nc(O)nc(O)c1/N=N/c1ccccc1Oc1ccccc1 102411764 QQGSOFNKELAVRD-QZQOTICOSA-N 323.312 3.678 10 40 DHCB COc1ccc(C2=C/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 199938 QODKAVSWESEXQB-ZROIWOOFSA-N 323.304 3.585 10 40 DHCB COc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 7275674 HQLXSTSIWKJRKI-LCYFTJDESA-N 316.407 3.839 10 40 DHCB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 13667622 SGKGQZROISVVIP-KPKJPENVSA-N 324.399 3.756 10 40 DHCB CC(C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 58865682 YNCWQAAZYQXENU-UHFFFAOYSA-N 314.381 3.954 10 40 DHCB O=C1/C(=C\c2cc3ccccc3o2)SC(=S)N1C1CC1 96935916 LASRQRXWLGFEQE-MDWZMJQESA-N 301.392 3.796 10 40 DHCB CCC(=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1670328 MSRGRVXYLWGHRV-UHFFFAOYSA-N 310.441 3.930 10 40 DHCB Cc1ccc(/N=N\c2ccc(N)cc2C)c(S(=O)(=O)O)c1 17303044 LYXRCSFUNNIHHV-MSUUIHNZSA-N 305.359 3.548 10 40 DHCB c1cn2c(n1)[C@@H](CNCc1ccc(N3CCCCC3)cc1)CCC2 84403216 KGKBZFZQEZTVMM-GOSISDBHSA-N 324.472 3.541 10 40 DHCB COc1cccc(CN[C@H](c2ccccc2)c2ccco2)c1O 95350762 FIGZEHCGCZLBOZ-GOSISDBHSA-N 309.365 3.873 10 40 DHCB O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(O)c1 31870 BQJJIEPJCRRHGU-UHFFFAOYSA-N 313.378 3.929 10 40 DHCB CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S 1196427 BFNNCOLSVSYEHB-YFHOEESVSA-N 317.357 3.927 10 40 DHCB CCN1C(=O)/C(=C\c2cccc3ccccc23)C(C(=O)OC)=C1C 59435700 IVMKONWTVVDBIZ-ATVHPVEESA-N 321.376 3.532 10 40 DHCB Cc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 59106205 OWSRKPFMQOUSTH-XNTDXEJSSA-N 324.311 3.641 10 40 DHCB CN1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 4792199 XRTOJWBQQPMCIX-QZQOTICOSA-N 323.400 3.881 10 40 DHCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1C 408901477 FSXFFLSJTFEJFH-SFQUDFHCSA-N 306.365 3.810 10 40 DHCB Cc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1 63948 SJICARKOCANLBV-RVDMUPIBSA-N 300.427 3.697 10 40 DHCB Cc1cc2ncn(CN(C)Cc3ccc(N(C)C)cc3)c2cc1C 24980482 GEVBGIYYBRIATN-UHFFFAOYSA-N 322.456 3.809 10 40 DHCB CCC(=O)C[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 100739159 USIUKWAPLPEETC-KRWDZBQOSA-N 306.361 3.835 10 40 DHCB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(N)cc2)C1 225473064 UNLKZYLDNGCCAT-FZKQIMNGSA-N 312.388 3.560 10 40 DHCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)cc2)S1 4467803 YDXUQFBUJVSXOF-XNTDXEJSSA-N 310.378 3.783 10 40 DHCB Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 12625403 ROKQKIDRUDIHEA-ZROIWOOFSA-N 312.419 3.796 10 40 DHCB O=C(CSc1nc2ccccc2s1)c1ccc(O)c(O)c1 5629194 DBTRBCTYKUZFNI-UHFFFAOYSA-N 317.391 3.683 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 4839119 AHNWAWVSPXBKTH-CXUHLZMHSA-N 320.348 3.530 10 40 DHCB COC(=O)c1cc(C)n(-c2ccc(Br)cc2C)c1C 223704421 KVSGRZFBCJDLRD-UHFFFAOYSA-N 322.202 3.952 10 40 DHCB Cc1ccc2c(/N=N/c3ccc(C(=N)N)cc3)ccc(O)c2n1 5518723 FWWWZMVEKAEMES-QURGRASLSA-N 305.341 3.948 10 40 DHCB O=C1/C(=C/c2ccccc2)SC(=S)N1Nc1ccccc1 36613154 WISOPCUPADLRMD-KAMYIIQDSA-N 312.419 3.915 10 40 DHCB CCCN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 409342927 FZFSTGQONRIPDH-ZROIWOOFSA-N 316.451 3.790 10 40 DHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3F)C2=O)cc1 9043169 QIMXCFPNKLRDTG-GXDHUFHOSA-N 324.311 3.641 10 40 DHCB Oc1ccc(-c2csc(NCCc3cccs3)n2)cc1O 22310092 SEZZFYDKEXDMIB-UHFFFAOYSA-N 318.423 3.937 10 40 DHCB COc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 13675235 VYJLIJRJDSRJJD-UHFFFAOYSA-N 324.424 3.616 10 40 DHCB CCc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1 95446132 MKMIREGFOILJTB-UHFFFAOYSA-N 315.413 3.604 10 40 DHCB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C 408768777 KHRHWSCQFURUCZ-WJDWOHSUSA-N 313.397 3.503 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1 112107964 WDWOGZUJQNSXOS-ATVHPVEESA-N 309.344 3.934 10 40 DHCB O=C1c2ccccc2C(=O)c2c(-c3ccc(Cl)cc3)noc21 1584714 GXMDSHKAXNHJLD-UHFFFAOYSA-N 309.708 3.770 10 40 DHCB CCCCNC(=O)CSc1ncc(-c2ccccc2)n1CC 7125810 IGJXTXBFEUBRIP-UHFFFAOYSA-N 317.458 3.578 10 40 DHCB Nc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 16158606 RWRGFFIAPATXCQ-UHFFFAOYSA-N 321.346 3.614 10 40 DHCB CN(C)c1ccc(CNC(=O)Cc2cccc3ccccc23)cc1 12528368 KFHMBWDGINEPFC-UHFFFAOYSA-N 318.420 3.765 10 40 DHCB CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 18215094 TXQKSIGISVMVKE-UHFFFAOYSA-N 323.223 3.989 10 40 DHCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(F)cc2)cc1 225795450 IECYPHWGOLHLCS-UHFFFAOYSA-N 317.433 3.557 10 40 DHCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 4735761 XPFGSMNAXXVRGZ-UHFFFAOYSA-N 319.426 3.799 10 40 DHCB CN(C)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 58165469 RQBGWWUOOHPDGG-UHFFFAOYSA-N 323.484 3.507 10 40 DHCB O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc(F)c1 970591 QDEBEOKUWAGXNV-WQLSENKSSA-N 305.355 3.825 10 40 DHCB CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 4471572 JVXYFDJBHTVHKL-MDWZMJQESA-N 319.382 3.917 10 40 DHCB Cc1ccc(N(C)CCNC(=S)Nc2cccc(F)c2)cc1 225795676 BDBNTCRVSJMGGG-UHFFFAOYSA-N 317.433 3.557 10 40 DHCB CC(C)c1ccc2c(c1)[C@]1(NN=C(c3ccccc3)S1)C(=O)N2 802420 HAUQIWOBYGUGLK-GOSISDBHSA-N 323.421 3.613 10 40 DHCB COc1ccc(N2CCOc3nc4ccc(C)cc4cc3C2)cc1 57712484 LMLPSNUBIAYALI-UHFFFAOYSA-N 320.392 3.951 10 40 DHCB CCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 112109468 BPQGDHOMFGFZDY-SDXDJHTJSA-N 319.408 3.711 10 40 DHCB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccn1 8644094 XUVCWYDNGHBEHI-NTMALXAHSA-N 304.421 3.549 10 40 DHCB CCOc1c(/N=N/c2ccccc2Cl)c(C)nn1C(N)=S 17141894 KIVRBZDKUOBDTA-WUKNDPDISA-N 323.809 3.751 10 40 DHCB CCC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1C 23042545 IUHPGQQATUNHTF-QGZVFWFLSA-N 308.381 3.788 10 40 DHCB CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1F 69454781 RHUBKMDGNHJYOS-UHFFFAOYSA-N 302.349 3.975 10 40 DHCB CN(CCCNC(=S)Nc1ccccc1F)c1ccccc1 7558637 OSQMITSVXBFDEX-UHFFFAOYSA-N 317.433 3.639 10 40 DHCB Cc1ccc(/C=C2/SC(N3CCCC[C@H]3C)=NC2=O)cc1 83332618 KHZIWWRLTHRYKA-WDGDVPDHSA-N 300.427 3.840 10 40 DHCB Nc1nn2cc3c(nc2c1/N=N\c1ccccc1)CCCCC3 104226624 PIPPPMFXZMNWRO-MRCUWXFGSA-N 306.373 3.996 10 40 DHCB CN1C(=O)/C(=C\c2cnc(-c3cccnc3)s2)c2ccccc21 104266893 OZCCDGDUQFRRSF-DHDCSXOGSA-N 319.389 3.722 10 40 DHCB CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 5003270 IBEHYIFSXLGAMD-UKTHLTGXSA-N 301.392 3.778 10 40 DHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC1CCCC1 12410845 URYUDMZRVKQFNB-VBKFSLOCSA-N 315.392 3.745 10 40 DHCB CCOc1ccc(/N=N/c2c(N)nn(-c3ccccc3)c2N)cc1 103674724 PZSUUASYJLINNN-QZQOTICOSA-N 322.372 3.851 10 40 DHCB CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 4478036 AADLUCXUZROVSP-WEVVVXLNSA-N 304.223 3.824 10 40 DHCB COc1ccc(OC)c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c1 4593018 IFRUTIWJBPIFHF-MHWRWJLKSA-N 322.360 3.994 10 40 DHCB O=[S@]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 6930968 YVXDQYRCKIKARS-OAQYLSRUSA-N 315.463 3.555 10 40 DHCB CC12C(=O)C(=O)C3(C)[C@H]4C(C5[C@@H]1[C@H]1CCC[C@@H]1[C@H]53)[C@@H]2[C@H]1CCC[C@@H]14 104294378 UVLJRCWQJOYTNR-CKLXGZENSA-N 324.464 3.735 10 40 DHCB CCc1cc(CN2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 73868257 UDSUZVLEKSSGKT-UHFFFAOYSA-N 305.462 3.863 10 40 DHCB CN1C(=O)/C(=C/c2c(Cl)nc3ccccn23)c2ccccc21 96792062 BMYRARBGNMVJAL-ZRDIBKRKSA-N 309.756 3.505 10 40 DHCB CC[C@@H](N[C@H](CC)c1c(C)nn(C)c1C)c1ccccc1O 156105205 FOYSXIPDLAVMHT-HZPDHXFCSA-N 301.434 3.935 10 40 DHCB CCOc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O 13547665 PWPJQEHVHBSASE-QINSGFPZSA-N 316.426 3.542 10 40 DHCB CCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 408959601 BTPAVFAODKEERM-QINSGFPZSA-N 316.426 3.733 10 40 DHCB COc1ccc(N2CCC(Nc3cccc(OC)c3)CC2)cc1 585168583 ZPRVTFHHXJMDAL-UHFFFAOYSA-N 312.413 3.785 10 40 DHCB COc1ccc([C@H](C)NCc2cc(Cl)ccc2O)cc1OC 40477054 UGSUMGUBCXHWIP-NSHDSACASA-N 321.804 3.914 10 40 DHCB CC(=O)c1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 104091002 VQNLDKMJLAFONL-NHKNDPDJSA-N 320.352 3.764 10 40 DHCB COCCCNCc1cc(C)n(-c2ccc(C)cc2C)c1C 223667093 YTVRFIBCBVBATL-UHFFFAOYSA-N 300.446 3.837 10 40 DHCB CC(C)CCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 4567324 DOIXXAKDMUWWFL-RVDMUPIBSA-N 318.442 3.835 10 40 DHCB Cc1ccc([N+](=O)[O-])cc1/C=C1\C=C(c2ccccc2)OC1=O 64229 UJQXCNAEMLOKBJ-OQLLNIDSSA-N 307.305 3.885 10 40 DHCB CCOc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 6538210 PCJASZLLJMGWQT-LCYFTJDESA-N 307.440 3.695 10 40 DHCB COc1ccc(OC)c2cc3c(cc12)C(=O)c1ccccc1C3=O 5518765 YMIUBAWIZXSAQT-UHFFFAOYSA-N 318.328 3.632 10 40 DHCB CCn1c(NC(=O)Nc2ccc(OC)cc2)nc2ccccc21 27923423 DJZLOWHNBFUHSV-UHFFFAOYSA-N 310.357 3.709 10 40 DHCB CCC(=O)N[C@H](c1ccc(C)cc1)c1ccc2cccnc2c1O 102655 VINGTFWNMOXCNQ-GOSISDBHSA-N 320.392 3.864 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21 4450131 CDJYFDJQABAREX-XWCIJXRUSA-N 323.352 3.825 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 4450159 SXQGNZRWBGBQJY-GRDNDAEWSA-N 323.352 3.825 10 40 DHCB Cc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)c(C)n1C1CC1 54499077 PCVGGKUMBJGRIU-ZSOIEALJSA-N 318.467 3.803 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(O)cc1C 95481262 WILVXRKWFNRENY-BOPFTXTBSA-N 321.380 3.728 10 40 DHCB CCOc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 96288899 ANPFAWIKQAZBBY-RVDMUPIBSA-N 316.426 3.588 10 40 DHCB COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113060 XVKBFVVXSNKNBM-UHFFFAOYSA-N 324.424 3.616 10 40 DHCB O=C(CCc1ccccc1)NCc1ccc(N2CCCCC2)cc1 13673722 FWFRHZALMZFVQU-UHFFFAOYSA-N 322.452 3.926 10 40 DHCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)c(C)c1 32275501 WUYCUDWZHVRNAI-XYOKQWHBSA-N 311.293 3.786 10 40 DHCB CC(C)c1ccc2c(c1)[C@@]1(NN=C(c3ccccc3)S1)C(=O)N2 802421 HAUQIWOBYGUGLK-SFHVURJKSA-N 323.421 3.613 10 40 DHCB Cc1ccc(O)c(/N=N\c2cc([N+](=O)[O-])ccc2[N+](=O)[O-])c1 104232016 IJAZUBXXBFEHGB-PFONDFGASA-N 302.246 3.932 10 40 DHCB CC(C)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 193405858 ZFKIVXSEAUEDTF-MDWZMJQESA-N 307.440 3.552 10 40 DHCB CC(C)OC(=O)c1sc2nc3c(cc2c1N)CCCCC3 6781910 FAMBCMCHPGGVSC-UHFFFAOYSA-N 304.415 3.713 10 40 DHCB Cc1cc(C)c(O)c(CN2CCN(c3cccc(C)c3C)CC2)c1 89686573 BKJMSLZKBHEEDC-UHFFFAOYSA-N 324.468 3.948 10 40 DHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1cccnc1 1579552 CXCKDYOPDOUJTL-UHFFFAOYSA-N 324.339 3.597 10 40 DHCB biogenic Cc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 88797 QPOLRXUIFOOONE-NVNXTCNLSA-N 306.317 3.705 10 40 DHCB CCc1ccc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1 8085503 HAKRLBBIGRSQPD-AWEZNQCLSA-N 307.484 3.676 10 40 DHCB CCOC(=O)c1nc[nH]c1/N=N/c1c(O)ccc2ccccc12 101522439 QFGQXFPLOJFEDK-FMQUCBEESA-N 310.313 3.861 10 40 DHCB O=C(O)[C@@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@H]2C=CC[C@@H]21 5024518 ANQJNJFYWVQYNR-OKTBNZSVSA-N 317.694 3.897 10 40 DHCB CN(C)c1ccc(CNC(=O)CCc2ccccc2Cl)cc1 29704472 FESWRUHWDUCTIU-UHFFFAOYSA-N 316.832 3.655 10 40 DHCB Nc1ccc(OCCC(F)(F)C(F)(F)Br)cc1 98211075 GLNWBHDWZADVCK-UHFFFAOYSA-N 316.092 3.661 10 40 DHCB CCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 210155070 VXHNRBUTQCOMQU-GHRIWEEISA-N 306.365 3.891 10 40 DHCB Cc1cc2oc(=O)cc(C)c2c(O)c1CN(C)Cc1ccccc1 20412210 SLQVYIQAPFSGEO-UHFFFAOYSA-N 323.392 3.747 10 40 DHCB biogenic COC[C@@H](C)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 25381248 LPQVDJXEKRUJQR-LLVKDONJSA-N 320.820 3.512 10 40 DHCB Cc1ccc(C)n1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 59549618 ROAGSJUUMYHVLZ-UHFFFAOYSA-N 307.397 3.896 10 40 DHCB CC(=O)N1N=C(c2cc(Cl)ccc2O)C[C@@H]1c1ccccc1 545509 KWVGUSFOVWIRGU-MRXNPFEDSA-N 314.772 3.743 10 40 DHCB COc1cccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c1 13547674 OOTKAUBCYBJBQM-QINSGFPZSA-N 316.426 3.542 10 40 DHCB COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C 223080683 ROLVRHLJAJSQMS-UHFFFAOYSA-N 324.424 3.534 10 40 DHCB N=C1/C(=C\c2cccs2)C(=O)N=C2Sc3ccccc3N12 13554267 QGQLPVCFRCQVSW-YDXUAOLHSA-N 311.391 3.617 10 40 DHCB Cc1ccsc1/C=C1\SC(N2CCC(C)CC2)=NC1=O 9188868 AFPUCIXAUXPHDS-LCYFTJDESA-N 306.456 3.759 10 40 DHCB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2Sc3ccccc3N12 13539772 FNRIDRFGENFCSB-BKPRWIHQSA-N 323.352 3.695 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 95276481 UIQZODJZUIIYQL-BOPFTXTBSA-N 309.344 3.853 10 40 DHCB Cc1ccc([N+](=O)[O-])cc1/N=N\c1ccc(O)c(C(=O)O)c1 104167670 KQSFXPRHJQDGEW-NXVVXOECSA-N 301.258 3.722 10 40 DHCB CC(C)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 13113773 OXVDQYDHDVMVMK-PTNGSMBKSA-N 300.427 3.876 10 40 DHCB COc1ccc(N2Cc3ccc(Br)cc3C2)cc1 59503631 PNSGTANSMRAFKV-UHFFFAOYSA-N 304.187 3.978 10 40 DHCB CC(=O)c1ccc(/N=N\[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 104091000 VQNLDKMJLAFONL-FTHOYRMOSA-N 320.352 3.764 10 40 DHCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(O)cc1 1002954 LORXXJYPYYZHRJ-XYOKQWHBSA-N 319.432 3.860 10 40 DHCB CCOc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1 21313813 ANPFAWIKQAZBBY-PTNGSMBKSA-N 316.426 3.588 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)c(C)c1 5850503 LHVHFESUYZABFZ-OQLLNIDSSA-N 309.394 3.781 10 40 DHCB CCN1C(=O)/C(=C/c2cc(C)c(OC)c(C)c2)SC1=S 48984568 LAZIUZAZDDVBMM-WQLSENKSSA-N 307.440 3.533 10 40 DHCB CN1CCC(=C2c3ccccc3C(=O)C(=O)c3sccc32)CC1 1859128 SEWPKRUDHMXTMH-UHFFFAOYSA-N 323.417 3.655 10 40 DHCB in-vitro COc1ccc(N2CCC(N(C)C(=O)CCC(C)C)CC2)cc1 65576248 GONZJERUFUDXLC-UHFFFAOYSA-N 318.461 3.559 10 40 DHCB COc1ccc(N2CCC(NCc3cccs3)CC2)cc1 75126879 RTTDCWTUHUMLQQ-UHFFFAOYSA-N 302.443 3.515 10 40 DHCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccccc1F 20987976 UWUXOKXBLUMFNM-UVTDQMKNSA-N 304.390 3.718 10 40 DHCB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 28462853 QOGAXYMWZKIXRZ-GFCCVEGCSA-N 305.399 3.707 10 40 DHCB O=C(O)COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 72417738 VVECSKYHCDTNFF-UHFFFAOYSA-N 320.348 3.839 10 40 DHCB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc([N+](=O)[O-])cc1 465484 QOMVQFWGVXQADH-LCYFTJDESA-N 311.268 3.715 10 40 DHCB Cc1ccc(C)c(NC(=S)NCCN(C)c2ccccc2)c1 53158242 MTLDGACVRBTWIC-UHFFFAOYSA-N 313.470 3.726 10 40 DHCB O=C1CSC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 1565674 MVPPBDHPYWHYGB-UHFFFAOYSA-N 311.737 3.724 10 40 DHCB CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1 267825 NXZXRPKKYIPBNO-UHFFFAOYSA-N 309.417 3.609 10 40 DHCB Cc1ccc(C(=O)C(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 8369821 ZIOSXYHNEMXAOH-UHFFFAOYSA-N 303.701 3.622 10 40 DHCB Cc1ccc(/N=N/c2ccc(N)cc2C)c(S(=O)(=O)O)c1 4523137 LYXRCSFUNNIHHV-WUKNDPDISA-N 305.359 3.548 10 40 DHCB Cc1[nH]nc(-c2ccc(O)c(O)c2O)c1-c1ccc(Cl)cc1 9411499 GXRUGOOHYOMAMW-UHFFFAOYSA-N 316.744 3.822 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@H]21 4450129 CDJYFDJQABAREX-NVGCLXPQSA-N 323.352 3.825 10 40 DHCB CN(C)c1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1 409053581 NEBKJDCDDCLOEO-RVDMUPIBSA-N 309.340 3.873 10 40 DHCB CN1/C(=C/c2ccc3ccccc3[n+]2C)C=C[C@H]2C=CC=C[C@@H]21 4276968 QGCJGCLODWUMIL-UZLBHIALSA-N 301.413 3.618 10 40 DHCB CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O 89947914 GJROKUHUZCAWPH-ZACQAIPSSA-N 313.372 3.902 10 40 DHCB COc1ccc(/C=C2\SC(S)=NC2=O)c2ccccc12 8116130 KYJIVSTXTVRGBR-JYRVWZFOSA-N 301.392 3.749 10 40 DHCB Nc1ccc(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 225471510 QGGGQURTELXKND-GOSISDBHSA-N 308.425 3.608 10 40 DHCB Cc1cc2n(n1)[C@@H](c1ccc(O)c(O)c1)Nc1c(C)cccc1-2 818094 LODMNBKZYHGTAH-SFHVURJKSA-N 307.353 3.551 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 103916324 KPGQAIHPGXXGTQ-AQTBWJFISA-N 323.371 3.612 10 40 DHCB Cc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 2434718 LZSDQOWOJTXTGO-UVTDQMKNSA-N 314.435 3.739 10 40 DHCB Cc1cc(Br)c2c(c1)C(=O)c1ccccc1C2=O 3845302 BNBMJAGNFSAWAU-UHFFFAOYSA-N 301.139 3.533 10 40 DHCB biogenic O=C1N[C@@H](c2ccc(N3CCCCCC3)cc2)Nc2ccccc21 9471201 VIDCKLDHEVHEDL-IBGZPJMESA-N 321.424 3.921 10 40 DHCB Oc1ccc(Br)cc1CN[C@H]1CCc2ccccc21 40477078 ZNNYXCVAYMTYEI-HNNXBMFYSA-N 318.214 3.932 10 40 DHCB Cc1cc(CN(C)C(=O)c2cc(C)n(-c3ccccc3)c2C)no1 25139446 GEKNLHFMHQYPBW-UHFFFAOYSA-N 323.396 3.663 10 40 DHCB CN(Cc1ccccc1O)C(=O)Nc1cccc2c1ccn2C 69567874 HIVYZIPFYNVUSF-UHFFFAOYSA-N 309.369 3.548 10 40 DHCB COCCCNCc1cc(C)n(-c2ccc(C)c(C)c2)c1C 223668328 BFDVZBYYXPMPJI-UHFFFAOYSA-N 300.446 3.837 10 40 DHCB CN1C(=O)/C(=C/C=C/C=C/Nc2ccccc2)SC1=S 3156616 KRCHBBDFCHMJCX-ZOOGBVTBSA-N 302.424 3.542 10 40 DHCB CC(C)(C)c1ccc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc1 62719586 TVRRWQNGQZCKNK-UHFFFAOYSA-N 322.412 3.930 10 40 DHCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(F)cc1F 96669682 HNPVOLPBKSIBAV-RIYZIHGNSA-N 322.380 3.857 10 40 DHCB CCN(CC)c1ccc(NC(=O)Cc2ccc(N)cc2)c(C)c1 226272408 HDXFPWNPJMOCLC-UHFFFAOYSA-N 311.429 3.605 10 40 DHCB COc1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1OC 409053219 MNWXTIDJRAOGBM-XYOKQWHBSA-N 314.362 3.747 10 40 DHCB Cc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 13671970 ZBCUOZFYVIACKX-UHFFFAOYSA-N 308.425 3.915 10 40 DHCB CCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=S 409006002 ICUZWOODOHOXAT-XFFZJAGNSA-N 313.831 3.570 10 40 DHCB Cc1ccc(-n2c(C)cc(C(=O)O)c2C)c(Br)c1 21503734 OREIFTWRHHFSHN-UHFFFAOYSA-N 308.175 3.863 10 40 DHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccccc3)C2=O)cc1 112110053 WDOXUOGCQKQXHL-AQTBWJFISA-N 321.380 3.804 10 40 DHCB O=C1/C(=C\c2ccco2)C(C(F)(F)F)=NN1c1ccccc1 408968968 DSXWDUHTJLNKDA-XFXZXTDPSA-N 306.243 3.628 10 40 DHCB CCN(CC)c1ccc(CNCc2ccc(C(=O)O)cc2)cc1 6869700 PSLIRVYPGITVCF-UHFFFAOYSA-N 312.413 3.521 10 40 DHCB COc1cc(NCc2cccc(OC)c2O)c(OC)cc1Cl 44836347 BOGDOQMTBWRWGA-UHFFFAOYSA-N 323.776 3.684 10 40 DHCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(F)cc1 5374657 WAWXHCAZLKJIEU-WQLSENKSSA-N 304.371 3.560 10 40 DHCB CC(C)CN1C(=O)[C@@H](Cc2ccc(Cl)cc2)SC1=S 6326153 BCDHZOWSQYNJAW-GFCCVEGCSA-N 313.875 3.767 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C)c2ccccc12 100548404 LDXSNVKQYCIAAK-LDADJPATSA-N 315.376 3.984 10 40 DHCB CCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=S 409329750 IAHDKRPBMGSLNA-XFFZJAGNSA-N 313.831 3.657 10 40 DHCB O=C1/C(=C\c2cccs2)SC(=S)N1Nc1ccccc1 6061679 KRPJKEMQZBSTEM-FMIVXFBMSA-N 318.448 3.976 10 40 DHCB O=C(O)[C@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@H]2C=CC[C@H]12 5024517 ANQJNJFYWVQYNR-HFJPGXAFSA-N 317.694 3.897 10 40 DHCB Cc1cccc(Cl)c1/N=N/c1c(C)nn(C(N)=S)c1C 104112444 SCUVZGPSGSPBET-WUKNDPDISA-N 307.810 3.969 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 60314 XOJUOPLHELTGCW-GZTJUZNOSA-N 321.336 3.709 10 40 DHCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 409160048 SEZXZEIICNDHAK-HBUWYVDXSA-N 306.365 3.915 10 40 DHCB CN1CCN(C(=S)c2ccc(-c3ccccc3Cl)o2)CC1 5529519 WYJNLGQOIPOAFQ-UHFFFAOYSA-N 320.845 3.523 10 40 DHCB CCOc1c(/N=N\c2ccccc2Cl)c(C)nn1C(N)=S 104237513 KIVRBZDKUOBDTA-MSUUIHNZSA-N 323.809 3.751 10 40 DHCB CN(C)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccncc2)cc1 40057790 LGELLDVVGYIBGR-VQFGERMISA-N 321.424 3.525 10 40 DHCB Cn1c(-c2ccccc2)cnc1SCc1nnc(C2CC2)o1 58156752 FEJLBCQZVUCSGQ-UHFFFAOYSA-N 312.398 3.640 10 40 DHCB Cc1ccc(N2C(=O)/C(=C3/C=CC=CN3C)SC2=S)cc1 102138319 YSVYKPREUDJCIO-BUHFOSPRSA-N 314.435 3.587 10 40 DHCB Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 13477021 VQCXIIQLZOGQEQ-UKTHLTGXSA-N 301.392 3.994 10 40 DHCB O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)cccc1Cl 8117782 RHAOVYAUHYNIGW-LCYFTJDESA-N 324.808 3.935 10 40 DHCB Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccccn2)cc1 8702299 GTTOJDCKJMHZGR-UHFFFAOYSA-N 306.365 3.881 10 40 DHCB O=C(c1ccco1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 4292028 VJUDRBLMQHSEQX-OAHLLOKOSA-N 322.320 3.570 10 40 DHCB COC(=O)c1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 4959627 SWLJYNVOYXCVAQ-ZQIUZPCESA-N 306.365 3.695 10 40 DHCB COc1ccccc1/C=C1/SC(Nc2ccccc2)=NC1=O 16695939 QSOXZQMTWVWWEY-RVDMUPIBSA-N 310.378 3.778 10 40 DHCB COc1cccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)c1O 409055474 YWYJOHGIOUXTQB-XNTDXEJSSA-N 322.360 3.999 10 40 DHCB CNC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 8986709 AJGHHNDVBIZUCP-SFHVURJKSA-N 306.365 3.564 10 40 DHCB O=C1/C(=C\c2ccccn2)SC(=S)N1C1CCCCC1 33657841 VZEIXUSHBSSXRK-JLHYYAGUSA-N 304.440 3.616 10 40 DHCB Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C2CC2)c1C 60825934 VZTICIJWMZFXML-UHFFFAOYSA-N 311.381 3.538 10 40 DHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1C=CCC1 39995683 GQTXSVGUCZEVSW-KRWDZBQOSA-N 312.457 3.992 10 40 DHCB Cc1cc(CN2CCCc3cc(OC(F)(F)F)ccc32)on1 97489745 YJNOBOVBEQXDNM-UHFFFAOYSA-N 312.291 3.834 10 40 DHCB Cc1cc(=O)oc2c(CN3CCC(C)CC3)c(O)c(Cl)cc12 19791727 RFTWGDGBJJMPDA-UHFFFAOYSA-N 321.804 3.692 10 40 DHCB biogenic CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1O 27531524 DCKIRNZLXPEESL-LFIBNONCSA-N 322.364 3.597 10 40 DHCB Cc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1 1622094 OBMRKNTWRSFMQZ-UHFFFAOYSA-N 302.462 3.672 10 40 DHCB in-vitro Cc1cc(/C=C/C(=O)N(C)CC2CC2)c(C)n1-c1ccccc1 58414720 NZYWTYCJKVFTPU-VAWYXSNFSA-N 308.425 3.976 10 40 DHCB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C)C(=O)OC 260726399 YJGYKJMLINPIIF-QWHCGFSZSA-N 305.418 3.739 10 40 DHCB Cc1ccc(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 33285960 QPOLRXUIFOOONE-OVCLIPMQSA-N 306.317 3.705 10 40 DHCB CCOCCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 48309320 NEJCOJCZTOEXIP-UHFFFAOYSA-N 314.429 3.559 10 40 DHCB Cc1cc(/N=N\c2ccccc2)ccc1NCS(=O)(=O)O 104050736 UOFIQVXGMCMCSS-MSUUIHNZSA-N 305.359 3.668 10 40 DHCB CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1O 7886034 QSHCCNLOXQWHJV-SFHVURJKSA-N 324.380 3.520 10 40 DHCB CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 40570549 YEBLIDIXWKGPOY-JYRVWZFOSA-N 302.424 3.779 10 40 DHCB O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2[nH]cnc2c1 55356214 BKNCXOXMICNHFE-UHFFFAOYSA-N 320.396 3.806 10 40 DHCB CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21 32699242 VHPJFZGVMAEZKP-NXVVXOECSA-N 324.767 3.569 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCCC1 112108653 FOBMZYMUJNRJGL-ATVHPVEESA-N 315.392 3.745 10 40 DHCB Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 7558596 SXIWSTVTHLDQEB-UHFFFAOYSA-N 313.470 3.808 10 40 DHCB Cc1ccc(C)n1-c1ccc2c(c1)C(=O)c1ccccc1C2=O 408737641 FNQJVHBBNRZLIG-UHFFFAOYSA-N 301.345 3.870 10 40 DHCB COc1ccc(C2=C/C(=C\c3ccc(C)o3)C(=O)O2)c(OC)c1 200019 FVCMLQPCSSVRIX-XYOKQWHBSA-N 312.321 3.587 10 40 DHCB CCOc1cccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c1O 817698 FCCGRUGCOHOBTH-IBGZPJMESA-N 321.380 3.935 10 40 DHCB Cc1cc2c(cc1C)N1C(=N)/C(=C\c3ccco3)C(=O)N=C1S2 4635868 KKDONJIENXVBLJ-LRVNMVSOSA-N 323.377 3.766 10 40 DHCB Cc1cc(C)c2c3c1[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3C[C@H]1CC=C[C@@H]21 229985566 JAJKMVIDKDCQDH-FDQIELQPSA-N 321.420 3.910 10 40 DHCB CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1 584908369 USFUWPIYKAZVQY-ZDUSSCGKSA-N 301.386 3.650 10 40 DHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccccc1O 5334186 CRIAPAQJXSBRAC-LFIBNONCSA-N 321.380 3.728 10 40 DHCB CCOC(=O)CCCSc1ncc(-c2ccccc2)n1C 58291529 MALCTWPRFPJLLV-UHFFFAOYSA-N 304.415 3.523 10 40 DHCB CN1/C(=C/c2ccc3ccccc3[n+]2C)C=C[C@@H]2C=CC=C[C@@H]21 3125986 QGCJGCLODWUMIL-JXFKEZNVSA-N 301.413 3.618 10 40 DHCB COc1ccc(N(C)Cc2cc(-c3ccccc3)no2)cc1OC 63617125 TUBTXDXGJFDEMV-UHFFFAOYSA-N 324.380 3.995 10 40 DHCB O=C(O)[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21 22204552 UNJQLAQMGOQLCR-MVKOHCKWSA-N 317.694 3.897 10 40 DHCB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(Cl)cc1 378492 ALXBEXAMSVWNKU-UHFFFAOYSA-N 314.724 3.522 10 40 DHCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 16887577 SJMILXQGXLBHGQ-AQTBWJFISA-N 306.365 3.891 10 40 DHCB COCCn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 3648214 ROFLDPZHJIYJGN-SFQUDFHCSA-N 318.376 3.780 10 40 DHCB C[n+]1ccccc1/C=C/c1c[nH]c2ccc(Br)cc12 5002321 NZVQHCKHTZVNNJ-UHFFFAOYSA-O 314.206 3.925 10 40 DHCB CCc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 96121201 ARGPYZSCIGEJFM-RVDMUPIBSA-N 300.427 3.752 10 40 DHCB CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 167310259 JKNQQOMINPKVPP-UHFFFAOYSA-N 300.377 3.602 10 40 DHCB CC(=O)Oc1csc2ccc3c(c12)C(=O)c1ccccc1C3=O 3845283 AEHDQOJIEQLZRJ-UHFFFAOYSA-N 322.341 3.602 10 40 DHCB biogenic CCc1noc(CN(Cc2ccccc2)c2ccc(OC)cc2)n1 12607655 ICAVIWFXCKGJFX-UHFFFAOYSA-N 323.396 3.847 10 40 DHCB CC(C)CN1C(=O)/C(=C2\C(=O)Nc3ccccc32)c2ccccc21 34169108 LIHVGKYKPJOYQD-ZCXUNETKSA-N 318.376 3.552 10 40 DHCB CCN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 408961114 RCWRYOUVXVNDKE-QINSGFPZSA-N 316.426 3.733 10 40 DHCB CN(C)c1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 49168870 CKSUCWBDEJKEFB-INIZCTEOSA-N 321.424 3.883 10 40 DHCB biogenic,in-vitro CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1 12915122 SGVQNDYHJSKCIQ-OUKQBFOZSA-N 303.365 3.549 10 40 DHCB CCCCN(CC)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 1780050 VQYGYMGZYBFTEE-UHFFFAOYSA-N 315.413 3.609 10 40 DHCB biogenic Cc1ccc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 40089167 BDSGQMWAGZLNFK-UHFFFAOYSA-N 308.425 3.834 10 40 DHCB CCCc1cc(=O)oc2cc(C)c(CN3CCCCC3)c(O)c12 20290560 DVJVSKDXFCJGTR-UHFFFAOYSA-N 315.413 3.745 10 40 DHCB CCc1ccc(CC(=O)NCc2ccc(N(CC)CC)cc2)cc1 224278757 RVRUBVJMVOUXCL-UHFFFAOYSA-N 324.468 3.954 10 40 DHCB CCCCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 6868966 HBKHUEJCWDSVNU-KAMYIIQDSA-N 304.415 3.589 10 40 DHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(N(C)C)cc1 100622157 HSRDYOVPKGBRPQ-NRTINQSCSA-N 321.384 3.628 10 40 DHCB CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 8707955 OIEBJCUDOQSAAX-UHFFFAOYSA-N 322.330 3.701 10 40 DHCB CCOc1c(/N=N/c2ccc(Cl)cc2)c(C)nn1C(N)=S 17948686 WTAQWZSVBPRAAY-WUKNDPDISA-N 323.809 3.751 10 40 DHCB CC(=O)Nc1cccc2c1CCN(Cc1cc(C)c(C)cc1O)C2 40155857 OJCPIAPSRHUVPV-UHFFFAOYSA-N 324.424 3.526 10 40 DHCB CN1CCC/C1=C/C=C1\SC(=S)N(c2ccccc2)C1=O 4506926 LJMHBXWVMRGNDI-DCKTUCEMSA-N 316.451 3.545 10 40 DHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1 408764919 ANGWHNSKGXJNCO-LGMDPLHJSA-N 319.360 3.564 10 40 DHCB COc1cc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)ccc1O 4600276 PRLZMYIQNOMTRM-OQLLNIDSSA-N 322.360 3.999 10 40 DHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(O)c1 100927462 PZKUERLVGQDEBK-YBEGLDIGSA-N 312.756 3.852 10 40 DHCB Cc1cc(C=O)c(C)n1-c1ccc(OC(C)C)c([N+](=O)[O-])c1 8702396 IXGCURQUGJWPAE-UHFFFAOYSA-N 302.330 3.602 10 40 DHCB Oc1c([C@@H](c2cccnc2)N2CCCC2)ccc2cccnc12 20507269 OLNKPGCDXJMUOP-GOSISDBHSA-N 305.381 3.521 10 40 DHCB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1cccc(O)c1O)N2 818033 PCGGBNUBLOEZOY-SFHVURJKSA-N 307.353 3.551 10 40 DHCB COc1ccc(N(C)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 13561585 IQUGTAIUGBCTMZ-UHFFFAOYSA-N 322.408 3.790 10 40 DHCB CN(Cc1ccccc1O)C(=O)Nc1cccc(Cl)c1F 47362453 RZCCPLBILWHCMJ-UHFFFAOYSA-N 308.740 3.849 10 40 DHCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(O)=NC3=O)o2)cc1 208567895 LWKZIXQUPBUGJQ-RIYZIHGNSA-N 313.334 3.678 10 40 DHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 409170876 XQGBSOPGRHDZAL-GLJUWKHASA-N 306.365 3.915 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(C)ccc1F 44826987 ZDGCVNXYFXBPMO-PTNGSMBKSA-N 309.344 3.853 10 40 DHCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)c1 408903432 XTMLMWWFZGMPEE-LDADJPATSA-N 306.365 3.810 10 40 DHCB Cc1cccc(N2C(=O)/C(=C3/C=CC=CN3C)SC2=S)c1 102138322 HIOPKIWFBBJVHL-BUHFOSPRSA-N 314.435 3.587 10 40 DHCB Cc1cc(C(=O)COc2ccccn2)c(C)n1-c1ccccc1 12525052 BCSSOWLWMNHFCD-UHFFFAOYSA-N 306.365 3.751 10 40 DHCB COc1cc(Cl)c(C)cc1NCc1cccc(OC)c1O 20004533 HZDISMYWYNCYLE-UHFFFAOYSA-N 307.777 3.983 10 40 DHCB CCO/C(O)=C1\SC(c2ccc(Cl)cc2Cl)=NC1=O 100328419 UFWAHAQBZHNURX-XFXZXTDPSA-N 318.181 3.777 10 40 DHCB CC(=O)N1N=C(c2cc(Cl)ccc2O)C[C@H]1c1ccccc1 545510 KWVGUSFOVWIRGU-INIZCTEOSA-N 314.772 3.743 10 40 DHCB CC1=NN(c2ccccc2)C(=S)/C1=C\NCc1ccccc1 50278515 NRDXKLCWFRBYFE-LGMDPLHJSA-N 307.422 3.884 10 40 DHCB CCc1ccc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1 8085487 HAKRLBBIGRSQPD-CQSZACIVSA-N 307.484 3.676 10 40 DHCB Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 408505 ANHRLFGGMHXEDA-UHFFFAOYSA-N 320.373 3.971 10 40 DHCB Oc1c([C@@H](c2ccncc2)N2CCCCC2)ccc2cccnc12 21486917 HQZGAUZNJLVVJU-LJQANCHMSA-N 319.408 3.911 10 40 DHCB COc1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 5333855 CPOURTDYCLRJNS-VBKFSLOCSA-N 321.380 3.722 10 40 DHCB Cc1ccccc1N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 27231140 FNZAZZSPSLYWCE-UKTHLTGXSA-N 300.408 3.729 10 40 DHCB O=C(c1ccco1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 4292027 VJUDRBLMQHSEQX-HNNXBMFYSA-N 322.320 3.570 10 40 DHCB O=C1/C(=C/c2ccco2)SC(=S)N1Cc1ccccc1 1082407 AWTLVOFTBSNDPK-LCYFTJDESA-N 301.392 3.681 10 40 DHCB CC(C)(C)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5551917 SAWXHRQFGOMCKO-FLIBITNWSA-N 322.411 3.595 10 40 DHCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccccn1 4513849 XUVCWYDNGHBEHI-CSKARUKUSA-N 304.421 3.549 10 40 DHCB CCN(CC)c1ccc(CNC(=O)NC2CCCCC2)cc1 225758914 CDNDWPQJKYWWBB-UHFFFAOYSA-N 303.450 3.665 10 40 DHCB COc1ccc2c(c1)CCCN2Cc1ccc(OC)c(OC)c1 96319126 LEDDOJSVHHDEHQ-UHFFFAOYSA-N 313.397 3.665 10 40 DHCB COc1ccc(Nc2cc(C)nc(Nc3ccc(N)cc3)n2)cc1 217504585 UGDZTKMMRFALCY-UHFFFAOYSA-N 321.384 3.863 10 40 DHCB Nc1nn2cc3c(nc2c1/N=N/c1ccccc1)CCCCC3 16958959 PIPPPMFXZMNWRO-QZQOTICOSA-N 306.373 3.996 10 40 DHCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccncc3)S2)cc1 39870235 AJGMYXRNCCOOGW-PTNGSMBKSA-N 309.394 3.726 10 40 DHCB Nc1ccc(CC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 225471481 QGGGQURTELXKND-SFHVURJKSA-N 308.425 3.608 10 40 DHCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2C)SC1=S 2343788 JWGZHCWMRDLAPM-UVTDQMKNSA-N 314.435 3.739 10 40 DHCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccccc1 13655969 HGDVAXSIRLADHC-ZROIWOOFSA-N 314.435 3.583 10 40 DHCB Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 16124012 XVUSXWLICVIRDO-UHFFFAOYSA-N 322.239 3.902 10 40 DHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/C=C1/CCCN1C 100269720 HPVHJVGWOQULRG-IDMWQADZSA-N 315.804 3.598 10 40 DHCB CCCOc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O 199647342 HTLUBVMYSINJOQ-XFFZJAGNSA-N 313.831 3.618 10 40 DHCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 127749 PEDXHPZSFZQYMI-LFIBNONCSA-N 322.364 3.510 10 40 DHCB Cc1ccc(/C=C2\SC(N3CCCC[C@H]3C)=NC2=O)cc1 59484577 KHZIWWRLTHRYKA-LKKYZFDUSA-N 300.427 3.840 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)cc1C 5520389 GHYZZNGAQPUIDR-XNTDXEJSSA-N 311.410 3.724 10 40 DHCB COc1cc([C@@H]2CCNc3ccccc3N2)cc(OC)c1OC 6732208 DIXYUTKQPLAJAR-ZDUSSCGKSA-N 314.385 3.681 10 40 DHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC1CCCC1 100113983 URYUDMZRVKQFNB-FOWTUZBSSA-N 315.392 3.745 10 40 DHCB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccccc1 5156903 SGUDOLPTULDWPK-UHFFFAOYSA-N 324.453 3.653 10 40 DHCB aggregator Cc1ccc(C)n1-c1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 5643827 IAMAWGGWZKESPN-SFHVURJKSA-N 311.381 3.763 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 1435578 NPCOVDCKLJHFBV-GZTJUZNOSA-N 321.336 3.709 10 40 DHCB CN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=S 33925186 KPGJMYTVWMEGCB-FPYGCLRLSA-N 320.222 3.530 10 40 DHCB CC1CCN(c2ccc([C@H](C)NC(=O)c3cccnc3)cc2)CC1 225430894 MWBVJPQKMPRWBC-INIZCTEOSA-N 323.440 3.809 10 40 DHCB Fc1ccc(NNC(=S)Nc2ccccc2Cl)c(F)c1 3286520 KETUSXFCPFNPGJ-UHFFFAOYSA-N 313.760 3.932 10 40 DHCB O=[S@@]1Cc2ccccc2C(=C2CCNCC2)c2ccsc21 6930937 YVXDQYRCKIKARS-NRFANRHFSA-N 315.463 3.555 10 40 DHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCC2)c1 10092944 LHMXTXVBJDFDGU-UHFFFAOYSA-N 302.805 3.984 10 40 DHCB Oc1ccccc1CNCc1ccc(Oc2ccccc2)nc1 78394206 SCMYKCBWGDHCOX-UHFFFAOYSA-N 306.365 3.869 10 40 DHCB Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1cccc[n+]1C 5002325 QHQQYVKXHREPSJ-UHFFFAOYSA-N 304.417 3.543 10 40 DHCB O=c1nc2n(c3ccccc13)CC/C2=C\c1c[nH]c2ccccc12 5451510 SKLCHSFOQDAOOO-ACCUITESSA-N 313.360 3.822 10 40 DHCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1 13670683 JTFUKLPVMBOKHK-UHFFFAOYSA-N 311.454 3.773 10 40 DHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 5363108 NPCOVDCKLJHFBV-BOPFTXTBSA-N 321.336 3.709 10 40 DHCB Nc1nc(-c2ccccc2/N=N/N2CCCC2)nc2ccccc12 18031777 MPVUVXGYWCUFOB-GHVJWSGMSA-N 318.384 3.974 10 40 DHCB CC(=O)c1ccc(N2N=C(C)/C(=C\c3cccs3)C2=O)cc1 100936112 PNNJZSVOLRHLSB-MHWRWJLKSA-N 310.378 3.757 10 40 DHCB CC1(C)Cc2c(ccc3ccccc23)/C(=C\C(=O)N2CCCC2)N1 101181655 CYKQCBDYPHTQAH-CPNJWEJPSA-N 320.436 3.727 10 40 DHCB COc1cccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1O 817689 HTEGCUNVKKQSJV-GOSISDBHSA-N 307.353 3.545 10 40 DHCB c1ccc(-c2nc(/N=N\c3n[nH]c(-c4ccccc4)n3)n[nH]2)cc1 59386669 SHBNVHHGWQIDJQ-VHXPQNKSSA-N 316.328 3.672 10 40 DHCB Cc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)o1 409196439 VLEXVEYPSKGHQC-MDWZMJQESA-N 318.423 3.544 10 40 DHCB CC(C)(C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 5551943 BUMJPMLZLNJEGG-FLIBITNWSA-N 322.411 3.595 10 40 DHCB O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2O)N1C1CC1 7886332 IVLPPDQWRVXKAS-INIZCTEOSA-N 314.772 3.775 10 40 DHCB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C(C)C)cc1 65428 KKAVLDUYQQCNKY-UHFFFAOYSA-N 319.426 3.933 10 40 DHCB Cn1cccc1/C=C1/SC(Nc2cccc(Cl)c2)=NC1=O 2414763 WYJBJRVTVSTWCN-UKTHLTGXSA-N 317.801 3.761 10 40 DHCB CCCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5297251 HFFSWDXKSAEKGD-UHFFFAOYSA-N 307.349 3.591 10 40 DHCB C[C@@H](CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5493361 OMMVCTMDWJLPLM-LBPRGKRZSA-N 324.384 3.658 10 40 DHCB Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccc1 25282717 QPAAQJAGIAELRL-UHFFFAOYSA-N 320.392 3.956 10 40 DHCB CCc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 225717209 NYHLAQIDESTSBN-UHFFFAOYSA-N 322.452 3.708 10 40 DHCB COc1cccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c1O 817688 HTEGCUNVKKQSJV-SFHVURJKSA-N 307.353 3.545 10 40 DHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2o1 7989929 KTTQKEOQKLJOKK-UHFFFAOYSA-N 308.381 3.771 10 40 DHCB Cc1cccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 12610411 XCCAGCPMUDMFQR-UHFFFAOYSA-N 310.441 3.640 10 40 DHCB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S 15011455 TWKOYFGTDBBTBN-SDNWHVSQSA-N 320.483 3.754 10 40 DHCB Cc1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)c1C 79183980 OCVJOCFAKSITAH-VAWYXSNFSA-N 317.392 3.923 10 40 DHCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CCCC1 112108519 VCUOOQXWFKSBPR-JXAWBTAJSA-N 311.429 3.996 10 40 DHCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 420661 OSDYQLZNSWDJNU-UHFFFAOYSA-N 323.421 3.818 10 40 DHCB O=C1/C(=C/C=C/c2ccco2)C(O)=NC(=S)N1c1ccccc1 1253717 LOIILWGTQBFWLE-QXAPVUDZSA-N 324.361 3.507 10 40 DHCB CCN(CC)c1ccc(CNC(=O)c2ccccc2F)cc1 79390072 QAPCAKRXWISBLX-UHFFFAOYSA-N 300.377 3.602 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)c1cccc([N+](=O)[O-])c1 100061321 NREISMZTTLAEJO-ATVHPVEESA-N 321.336 3.791 10 40 DHCB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(N)cc2)C1 225473003 UNLKZYLDNGCCAT-ACJLOTCBSA-N 312.388 3.560 10 40 DHCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccccc1F 5813854 YLIRXJUJPQJXMD-MDWZMJQESA-N 316.382 3.627 10 40 DHCB Oc1c([C@H](c2ccccn2)N2CCCC2)ccc2cccnc12 19680905 OOOTUUPATQUCJO-GOSISDBHSA-N 305.381 3.521 10 40 DHCB Cc1cc(/N=N/c2ccccc2C(=O)O)cc(C(=O)O)c1O 70462727 YHGKGCZZBAQCEO-WUKNDPDISA-N 300.270 3.512 10 40 DHCB Cc1ccc(C)n1NC(=O)c1cccc(-n2c(C)ccc2C)c1 20131522 LELHXVRNFVNIKO-UHFFFAOYSA-N 307.397 3.896 10 40 DHCB O=[N+]([O-])c1ccc(N2CC=C(c3cccnc3)CC2)c(Cl)c1 95467573 FVCFVIIJMCNRPJ-UHFFFAOYSA-N 315.760 3.937 10 40 DHCB Cc1cc2c(cc1C)N1C(=N)/C(=C\c3ccc[nH]3)C(=O)N=C1S2 2223209 SPSWMGCRQDSJLV-LRVNMVSOSA-N 322.393 3.501 10 40 DHCB CN1C(=O)/C(=C/Nc2cccc3ccccc23)SC1=S 618255059 OMGQXRSXIOCZPN-LCYFTJDESA-N 300.408 3.583 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4450174 PMRRCKNRSSPACP-AHIWAGSCSA-N 323.352 3.825 10 40 DHCB CCC[C@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 4859601 JXPZHPSWQBGGPV-JBLDHEPKSA-N 302.330 3.547 10 40 DHCB Cc1cc(O)cc(C)c1/N=N/c1ccc(S(=O)(=O)O)cc1 100999618 GDIOPISJWZEDKM-FOCLMDBBSA-N 306.343 3.671 10 40 DHCB c1cn2c(n1)[C@H](CNCc1ccc(N3CCCCC3)cc1)CCC2 84403214 KGKBZFZQEZTVMM-SFHVURJKSA-N 324.472 3.541 10 40 DHCB CN(C)Cc1cc(/N=N\c2ccccc2)cc(CN(C)C)c1O 104312738 JCIFNCVBECKXEV-VXPUYCOJSA-N 312.417 3.931 10 40 DHCB Cc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 5374628 OVGMBTCNLKRPPQ-LCYFTJDESA-N 300.408 3.729 10 40 DHCB CN(Cc1ccccc1O)C(=O)NCC1CCCCCCC1 83865591 GPGRGUYKLJBZNT-UHFFFAOYSA-N 304.434 3.894 10 40 DHCB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1O)N2 817726 IEIUYDSBEQOTMC-SFHVURJKSA-N 307.353 3.551 10 40 DHCB O=C(Nc1cccnc1)N(Cc1ccco1)Cc1ccccc1O 47565133 AJUOPDAOJBVDDN-UHFFFAOYSA-N 323.352 3.615 10 40 DHCB CN(Cc1ccccc1O)C(=O)c1cc2cc(Cl)ccc2[nH]1 53915908 NGVQPKDJCSYFQT-UHFFFAOYSA-N 314.772 3.799 10 40 DHCB CCCNC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 225774563 CMYNILHMZLMWEP-OAHLLOKOSA-N 303.450 3.693 10 40 DHCB CCOc1ccc([C@H]2CC(c3cc(C)cc(C)c3O)=NN2)cc1 4423348 NJDWGKNBNKSHSM-QGZVFWFLSA-N 310.397 3.846 10 40 DHCB CCN(CC)c1ccc(/N=N/c2n[nH]c(C)c2[N+](=O)[O-])cc1 4737494 IQIHTGPJYXMFMH-FBMGVBCBSA-N 302.338 3.888 10 40 DHCB Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccccc1Cl 6556403 QZTBVFICBYQPJK-UHFFFAOYSA-N 302.713 3.833 10 40 DHCB Cc1cc(C(=O)NCc2ccncc2)c(C)n1-c1ccc(F)cc1 7987324 PYUIQTRUIWSYNK-UHFFFAOYSA-N 323.371 3.558 10 40 DHCB COC(=O)c1cc(C)n(-c2ccccc2Br)c1C 223705182 RZPADSNBYGQDKO-UHFFFAOYSA-N 308.175 3.643 10 40 DHCB Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 19736059 SMSRTLLWGAGWBY-UHFFFAOYSA-N 311.168 3.593 10 40 DHCB CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 3213272 PDVMSIHIZHOYNX-UITAMQMPSA-N 304.223 3.824 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 4623309 CDJYFDJQABAREX-PEBVRCNWSA-N 323.352 3.825 10 40 DHCB O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCOCC3)cc2)cc1 4892328 ORKVMIYGWKFMMX-ISLYRVAYSA-N 312.329 3.847 10 40 DHCB CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]c(C)nc2c1 95996851 SOVGPCKQKLPFDJ-UHFFFAOYSA-N 323.396 3.629 10 40 DHCB O=C1c2ccccc2C(=O)C12O[C@@H]2c1ccc(Cl)cc1Cl 502197 YQNVTWRFEXZXPQ-OAHLLOKOSA-N 319.143 3.883 10 40 DHCB COc1cc(OC)cc(C(=O)C(=O)c2ccc(C)cc2Cl)c1 409198453 GGJBMVVRUJJVRY-UHFFFAOYSA-N 318.756 3.731 10 40 DHCB O=C1/C(=C\c2ccncc2)SC(=S)N1C1CCCCC1 4954202 JUAACAAMVYLDQS-JLHYYAGUSA-N 304.440 3.616 10 40 DHCB C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 25356110 BQRXREOXLWAAQA-MRXNPFEDSA-N 320.440 3.789 10 40 DHCB COc1cccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c1O 83295029 BOFWGDSTHYXSTQ-GDNBJRDFSA-N 308.333 3.691 10 40 DHCB COc1cccc(CNc2ncc(-c3ccc(C)cc3)n2C)c1O 4678424 HPAKTVRSWDOJEF-UHFFFAOYSA-N 323.396 3.722 10 40 DHCB COc1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 36613135 AMDVQFDNXMIONV-UVTDQMKNSA-N 319.451 3.839 10 40 DHCB CC(C)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 36613172 ZBLRUWIGQXOSDL-WDZFZDKYSA-N 313.831 3.655 10 40 DHCB CN(C)c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 44845584 CTUMZUWCSZPGCC-UHFFFAOYSA-N 303.793 3.728 10 40 DHCB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccccc1 970707 PLJSBSQVXCXKKY-XNTDXEJSSA-N 312.394 3.760 10 40 DHCB O=C1C[C@@H](C2CCCCC2)C(=O)c2cc3cccnc3c(O)c21 1582188 GUMHWBAGAFSDMP-ZDUSSCGKSA-N 309.365 3.906 10 40 DHCB Cc1cc(/C=C/C(=O)O)c(C)n1-c1cccc(Br)c1 20285334 BBWLUZQZDBHUDO-VOTSOKGWSA-N 320.186 3.954 10 40 DHCB Oc1ccc2ccccc2c1CN1CCN(C2CCCC2)CC1 26627371 SHJJAWZIJYKQOI-UHFFFAOYSA-N 310.441 3.606 10 40 DHCB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 409170878 XQGBSOPGRHDZAL-LBTNJELSSA-N 306.365 3.915 10 40 DHCB Cc1ccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccco3)C2=O)cc1 86643 KAAOWFYJWYUWIZ-XEXQVEHGSA-N 322.320 3.651 10 40 DHCB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN(C)C 4540330 BWUQACYBSAXYMN-UHFFFAOYSA-N 309.365 3.536 10 40 DHCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374578 CRBHZDUFEBNLHC-UXEDPAHQSA-N 314.435 3.977 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(F)c(F)c1 44826984 VQLHCZCYLBCPRP-UVTDQMKNSA-N 313.307 3.683 10 40 DHCB COC(=O)c1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1 409054838 VTSJKFAGRSNAAA-XNTDXEJSSA-N 324.307 3.594 10 40 DHCB CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 96565163 PUXVWZBGDJMQQN-SDNWHVSQSA-N 304.415 3.589 10 40 DHCB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@@H](C)C(=O)OC 223829917 YJGYKJMLINPIIF-STQMWFEESA-N 305.418 3.739 10 40 DHCB CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cccc(Cl)c1 5726152 BOEACIFSAZZRLL-INIZCTEOSA-N 314.772 3.743 10 40 DHCB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 409159075 MLWSFEFOMDCJBZ-HBUWYVDXSA-N 306.365 3.915 10 40 DHCB Cc1ccccc1/C=C1\SC(=S)N(c2cccnc2)C1=O 7166106 JAAGQNUZQVAVOU-ZROIWOOFSA-N 312.419 3.796 10 40 DHCB CCOC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 70462705 DCDQWPCLRKGQDB-ISLYRVAYSA-N 314.297 3.683 10 40 DHCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 29956463 AUMLCVMCAJZECK-UHFFFAOYSA-N 323.440 3.653 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21 4450162 SXQGNZRWBGBQJY-VBQJREDUSA-N 323.352 3.825 10 40 DHCB O=C1c2ccccc2C(=O)C1c1ccc(N2CCCCC2)cc1 100739247 PRMJMEHBQGTYHE-UHFFFAOYSA-N 305.377 3.840 10 40 DHCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3cccn3C)S2)c1 8410979 NJKYMMHGDKWXKF-GDNBJRDFSA-N 311.410 3.724 10 40 DHCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccnc1 112109391 VPJYKPVMPQMOLY-JXAWBTAJSA-N 320.396 3.970 10 40 DHCB Nc1ccc(Cc2ccc(C(=O)c3ccc(N)cc3)cc2)cc1 2547546 VICUDJNVDRIGNK-UHFFFAOYSA-N 302.377 3.673 10 40 DHCB CC(=O)c1cccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 6417403 JWEKBGZEJVGYNO-PDGQHHTCSA-N 319.364 3.608 10 40 DHCB COC[C@H](C)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 25381252 LPQVDJXEKRUJQR-NSHDSACASA-N 320.820 3.512 10 40 DHCB CCN(C1=NC(=O)/C(=C\c2cccn2C)S1)c1ccccc1 5374476 JMHLJIIGJNGDLS-NTCAYCPXSA-N 311.410 3.522 10 40 DHCB [N-]=[N+]=NCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 102828863 ULZHESLIJZKWRM-MRXNPFEDSA-N 305.341 3.675 10 40 DHCB Cc1c(O)ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c1C 4127673 QRUSUZHYKIOUKW-FOCLMDBBSA-N 306.343 3.671 10 40 DHCB CN(C)c1ccc(/C=C2\N=C(/C=C\c3ccccc3)OC2=O)cc1 8642195 OFYWCLPPONVQKJ-MARCMYERSA-N 318.376 3.762 10 40 DHCB CCc1cc(=O)oc2c(CNc3cccc(C)c3)c(O)ccc12 9306442 UJZHZLUPWCTTNU-UHFFFAOYSA-N 309.365 3.982 10 40 DHCB Cc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 13671916 FJROXRGIVDEAJV-UHFFFAOYSA-N 322.452 3.844 10 40 DHCB CCc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1 16704933 AOIBXLIFZOSYPV-UHFFFAOYSA-N 313.470 3.672 10 40 DHCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1CCCC1 4745817 UDJOVBAVOKQNBT-LCYFTJDESA-N 307.415 3.970 10 40 DHCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)NC3=O)c2C)cc1 408895193 UGCMDEODMBVRSJ-DHDCSXOGSA-N 311.410 3.541 10 40 DHCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 33808220 SJMILXQGXLBHGQ-QGOAFFKASA-N 306.365 3.891 10 40 DHCB CCCc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 72194141 QELDXVFKTAGVAT-UHFFFAOYSA-N 312.321 3.529 10 40 DHCB CCOc1cc(C2=NN(c3ccc(C)cc3)C(=O)CC2)ccc1O 6640211 SXTFYXLEPPNBDQ-UHFFFAOYSA-N 324.380 3.630 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 4450171 PMRRCKNRSSPACP-GDZNZVCISA-N 323.352 3.825 10 40 DHCB O=[N+]([O-])c1ccc(-c2nc(/N=N\c3ccc(O)cc3)n[nH]2)cc1 16675723 ZVORVIVLISRHLW-VLGSPTGOSA-N 310.273 3.501 10 40 DHCB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1C1CCCC1 96234494 HIGCONCOPSPLHB-MDWZMJQESA-N 306.456 3.709 10 40 DHCB 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DHCB Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 4252807 XUDJOVURIXHNRW-UHFFFAOYSA-N 314.344 3.788 10 40 DHCB Nc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 31895930 PBZSVOWGXRGRCP-UHFFFAOYSA-N 311.168 3.593 10 40 DHCB O=[N+]([O-])c1ccc(NNC(=S)/N=N\c2ccccc2)cc1 104092933 RLDAWAIBFRAAJF-PEZBUJJGSA-N 301.331 3.580 10 40 DHCB COc1ccc(C2=C/C(=C/c3ccc(C)cc3)C(=O)O2)cc1OC 281674 UQDXXBLQGAYCKI-YBEGLDIGSA-N 322.360 3.994 10 40 DHCB COc1cc2c(cc1NCc1nc(C)no1)oc1ccccc12 24662068 RUEZLRHMXCNSDP-UHFFFAOYSA-N 309.325 3.898 10 40 DHCB COCCCCNc1ccc2noc3c2c1C(=O)c1ccccc1-3 2292064 YUKBKZBDGPPRNR-UHFFFAOYSA-N 322.364 3.878 10 40 DHCB Oc1c([C@H](c2cccnc2)N2CCCC2)ccc2cccnc12 20507267 OLNKPGCDXJMUOP-SFHVURJKSA-N 305.381 3.521 10 40 DHCB COC(=O)c1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1 70462715 JLBPKTYZKMHCIY-ISLYRVAYSA-N 314.297 3.601 10 40 DHCB O=C1NC(=S)S/C1=C/c1ccc(-c2cccc(F)c2)o1 215917332 GIKDBOYXFNYMKZ-KPKJPENVSA-N 305.355 3.575 10 40 DHCB Oc1ccc2ccncc2c1CN1CCC[C@H](C(F)(F)F)C1 21965034 DLOVYEMGARDRKE-LBPRGKRZSA-N 310.319 3.715 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(C)c([N+](=O)[O-])c1 32193810 KNDZRIPYXWCQIH-YBEGLDIGSA-N 321.336 3.709 10 40 DHCB Cc1nc(N)nc(C)c1/N=N/c1ccc(Br)cc1 17885521 FPZAEQYEVHHLCO-ISLYRVAYSA-N 306.167 3.854 10 40 DHCB Oc1ccc(/C=C/CC[C@H](O)CCc2ccc(O)c(O)c2)cc1 64503465 RECNHCLFPNYLCU-VQRJYJFOSA-N 314.381 3.591 10 40 DHCB biogenic,in-vitro CC[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccccc1O 155136058 KQFLAFIBRUUSGV-GOSISDBHSA-N 324.424 3.760 10 40 DHCB C[C@@H]([C@H](O)c1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 4468862 ZLTQIYWKLSDOQZ-VFVJVORHSA-N 314.345 3.647 10 40 DHCB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N)cc1 19736818 SCOZGMCVLCVKBB-CYBMUJFWSA-N 312.413 3.972 10 40 DHCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccnc3)cc2)CC1 225430853 MWBVJPQKMPRWBC-MRXNPFEDSA-N 323.440 3.809 10 40 DHCB Cc1c(OC[C@@H]2CO2)ccc2c(-c3ccccc3)cc(=O)oc12 30822661 LGSBOEWVFOJPKD-AWEZNQCLSA-N 308.333 3.546 10 40 DHCB Cc1ccc(C)c(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)c1 4832537 HZIOKJDVQBHMIL-WQLSENKSSA-N 311.293 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10 40 DHCB CN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 5248170 PDVMSIHIZHOYNX-WEVVVXLNSA-N 304.223 3.824 10 40 DHCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)cc1 12428935 JREKHXBULNREND-RAXLEYEMSA-N 306.818 3.796 10 40 DHCB COc1ccc(N(C)Cc2ncc(C(C)(C)C)o2)cc1OC 69484450 UQYIXQIOIIFQDQ-UHFFFAOYSA-N 304.390 3.626 10 40 DHCB CCCCNc1nc(N)nc(N)c1/N=N\c1ccc(Cl)cc1 104088586 COBLUDPHKHGQBQ-DQRAZIAOSA-N 319.800 3.922 10 40 DHCB Nc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 20186827 ZUBFGYVDBCPFLQ-UHFFFAOYSA-N 319.202 3.603 10 40 DHCB [N-]=[N+]=CC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 4859416 APAQZGRSBKRLBF-UHFFFAOYSA-N 312.372 3.891 10 40 DHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)C[C@@H](C)O2 408710782 KEYBVETXBVYDDV-FDIDITGRSA-N 318.376 3.816 10 40 DHCB CCCN1CCCc2cc(CNCCCN(CC)CC)ccc21 45796183 QZSIMSPRGWRVGU-UHFFFAOYSA-N 317.521 3.671 10 40 DHCB Nc1nc(O)c(/N=N\c2ccccc2)c(Nc2ccccc2)n1 104341682 MALRQTQWILDSIS-DQRAZIAOSA-N 306.329 3.923 10 40 DHCB COC(=O)c1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 5798273 SWLJYNVOYXCVAQ-KEYYUXOJSA-N 306.365 3.695 10 40 DHCB O=C1N=C(NC2CCCCC2)S/C1=C\c1c(F)cccc1F 8322949 WTGLLULYJRJCTB-ZROIWOOFSA-N 322.380 3.857 10 40 DHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 13669430 CUZUOALPIZWOJJ-UHFFFAOYSA-N 312.388 3.746 10 40 DHCB CCCN1C(=O)/C(=C(\C)c2cccc(OC)c2)SC1=S 54360643 NULUJCKNFDFZHD-RAXLEYEMSA-N 307.440 3.697 10 40 DHCB COc1cccc(CNc2cccc(Br)c2)c1O 19941754 ZVQBKDAKMBXNLD-UHFFFAOYSA-N 308.175 3.775 10 40 DHCB Cc1cn(-c2ccccc2)c(C)c1/C=C1\SC(=S)NC1=O 4798174 VJUPRGMGQSFKCA-ZSOIEALJSA-N 314.435 3.583 10 40 DHCB Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccc(Br)cc1 20284611 PYKWZMCPQMLVPH-FPYGCLRLSA-N 320.186 3.954 10 40 DHCB Cc1ccc(/N=N\c2c(N)nn3cc4c(nc23)CCCC4)cc1 103934413 BIOBOUAUSSZFBX-MRCUWXFGSA-N 306.373 3.914 10 40 DHCB CCN(CC)Cc1c(C)cc2oc(=O)c3c(c2c1O)CCCC3 33917813 KZWZFOCJDWDEPK-UHFFFAOYSA-N 315.413 3.528 10 40 DHCB Cc1cc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N 4851378 ZNFYQSSZNJEGSO-QZQOTICOSA-N 321.384 3.790 10 40 DHCB Cc1cc(C)n2nc(N)c(/N=N/c3cccc(Cl)c3)c2n1 100551314 AYTMKTRTLCIZGP-VHEBQXMUSA-N 300.753 3.997 10 40 DHCB Cc1cc(N)ccc1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 13151851 HRELIOJXTHLJEH-QZQOTICOSA-N 321.384 3.790 10 40 DHCB COc1ccccc1NC(=S)N(C)[C@@H](C)c1ccccc1O 95349215 SIBOQGWHYKYGBQ-LBPRGKRZSA-N 316.426 3.791 10 40 DHCB O=C1/C(=C/c2ccccn2)SC(=S)N1C1CCCCC1 4745811 VZEIXUSHBSSXRK-RAXLEYEMSA-N 304.440 3.616 10 40 DHCB C=C/C=C(\C=C/C)C1(C(=O)Nc2ccc(N)cc2)CCOCC1 26808271 MPXJORKZUNVKLS-KJQUZEEOSA-N 312.413 3.693 10 40 DHCB Cc1ccccc1-n1c(C)cc(C(=O)Nc2ncccc2O)c1C 71814456 KTFLAODJFUNDCK-UHFFFAOYSA-N 321.380 3.755 10 40 DHCB Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1 5730176 RNAXLLWSKZYSFR-UHFFFAOYSA-N 302.713 3.833 10 40 DHCB Cc1ccc(N(C)CCNC(=S)Nc2ccccc2F)cc1 225795417 SZRZNINDDMDJSW-UHFFFAOYSA-N 317.433 3.557 10 40 DHCB COc1ccc(OC)c(/C=C2\C=C(c3ccccc3)OC2=O)c1 130009 FXVFMUTWBISRFZ-XNTDXEJSSA-N 308.333 3.685 10 40 DHCB CCCc1cc(CCC)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O 4025916 TXHVIFZOPAHCGP-UHFFFAOYSA-N 324.376 3.778 10 40 DHCB biogenic CCOc1cccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1O 817699 FCCGRUGCOHOBTH-LJQANCHMSA-N 321.380 3.935 10 40 DHCB Cc1cc2n(n1)[C@@H](c1ccc(O)cc1O)Nc1c(C)cccc1-2 818096 XZMUBUVAESNSBA-SFHVURJKSA-N 307.353 3.551 10 40 DHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC1 2309964 KWILRNZZCKSWRF-VHEBQXMUSA-N 304.325 3.578 10 40 DHCB CCOC(=O)c1sc2nc3c(C)ccc(C)c3cc2c1N 877020 LRPDHFIEFJFUAK-UHFFFAOYSA-N 300.383 3.825 10 40 DHCB Nc1cccc2c1C(=O)c1c(oc3c1ccc1ccccc13)C2=O 5002969 RDUKBTHOKFGFDJ-UHFFFAOYSA-N 313.312 3.944 10 40 DHCB COc1cccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c1O 409051192 AAKRQBZHEJZTPU-UKTHLTGXSA-N 312.296 3.521 10 40 DHCB CCOC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)cc1 100249930 ZAEDVOBWYDGTIB-LGMDPLHJSA-N 321.380 3.688 10 40 DHCB CC[C@H](N[C@@H](CC)c1c(C)nn(C)c1C)c1ccccc1O 156104849 FOYSXIPDLAVMHT-HOTGVXAUSA-N 301.434 3.935 10 40 DHCB O=C(O)[C@@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@@H]2C=CC[C@H]12 102708506 ANQJNJFYWVQYNR-PTZCXBDSSA-N 317.694 3.897 10 40 DHCB O=C1NC(=S)S/C1=C\c1cccc(Oc2ccccc2)c1 2779401 SKRSSNZOVQMETG-UVTDQMKNSA-N 313.403 3.968 10 40 DHCB CN(C)c1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 28287556 FEGYLUSHIDEFKV-UHFFFAOYSA-N 321.380 3.588 10 40 DHCB CCc1ccccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 44965573 DXRARHKFNHNVHO-LGMDPLHJSA-N 305.381 3.968 10 40 DHCB O=Nc1cc2c3c(c1C(=O)O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 253574808 TWLSIDZOBGEBAW-FDYHWXHSSA-N 322.364 3.936 10 40 DHCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1Cl 51532 JQFXMMIKLXBOIH-JLHYYAGUSA-N 306.818 3.796 10 40 DHCB COc1cccc(/C=C2\C=C(c3ccccc3)OC2=O)c1OC 206191503 UDRLNJXPHNTZSQ-RVDMUPIBSA-N 308.333 3.685 10 40 DHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(C)c1 5798965 PUMPORYWQNXEJQ-BOPFTXTBSA-N 309.344 3.853 10 40 DHCB CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccccc1O 95115929 SEHNDQRZQWGTFS-KRWDZBQOSA-N 308.381 3.788 10 40 DHCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1N(C)C 3214713 CDEHLSPJTWXRRS-UHFFFAOYSA-N 312.462 3.709 10 40 DHCB CCOc1ccc(/N=N/c2cc(CO)c(O)c(OC)c2)cc1 70462007 WARIHAMOUBZZPG-ISLYRVAYSA-N 302.330 3.707 10 40 DHCB O=C1c2c(Cl)cccc2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21 4091253 KBVOCALKCZCXKK-UHFFFAOYSA-N 322.103 3.677 10 40 DHCB Cc1nnc(CCCSc2ncc(-c3ccccc3)n2C)o1 89736322 BJGSIQDIGRNHGN-UHFFFAOYSA-N 314.414 3.503 10 40 DHCB Nc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 19736461 YPGRYMYPDGBMGO-UHFFFAOYSA-N 318.376 3.953 10 40 DHCB CNc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 95470935 GCLNXTRXKOMYTL-PDGQHHTCSA-N 320.396 3.755 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 4450137 RCGSYABGPBFABC-ZQIUZPCESA-N 323.352 3.825 10 40 DHCB CN(C)c1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1 9883115 QFIHZTKYYGSFMC-UHFFFAOYSA-N 312.394 3.954 10 40 DHCB CN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 33364684 FUQVXPNRYJFXSG-UTCJRWHESA-N 313.313 3.739 10 40 DHCB CN1CCCc2cc(CNc3cnc4ccccc4n3)ccc21 58555608 MNKXCZWYTIYVDK-UHFFFAOYSA-N 304.397 3.624 10 40 DHCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21 4450158 YHPMYMRNRYNJQI-OGHNNQOOSA-N 323.352 3.825 10 40 DHCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 802456 PMRRCKNRSSPACP-IIYDPXPESA-N 323.352 3.825 10 40 DHCB c1ccc2c(NCCCN3CCOCC3)c3ccccc3nc2c1 4041597 FCCDGCQYPHQHNP-UHFFFAOYSA-N 321.424 3.522 10 40 DHCB CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 1646965 UEODOTJZRJMPBM-UHFFFAOYSA-N 315.369 3.665 10 40 DHCB O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCCC[C@H]12 2204210 FFHVQJJCJBEJJW-SFHVURJKSA-N 317.388 3.667 10 40 DHCB Cn1ccc([C@@H]2CCCCCN2Cc2cc(Cl)ccc2O)n1 12154147 PFAUXGGVVFTGCA-INIZCTEOSA-N 319.836 3.896 10 40 DHCB Nc1ccc(CC(=O)N(Cc2ccccc2)CC2CCC2)cc1 195543343 DULLZUQHNVGMFJ-UHFFFAOYSA-N 308.425 3.640 10 40 DHCB CCCNC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225774705 OSHUWBSGIBTYFF-CABCVRRESA-N 303.450 3.693 10 40 DHCB CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCCC2)cc1 97159312 AEDHUVYTXGROEH-UHFFFAOYSA-N 312.461 3.597 10 40 DHCB CC[C@@H](Nc1ccc(NC(C)=O)cc1OC)c1ccccc1O 157456014 IUWBNAFOWHQAIE-OAHLLOKOSA-N 314.385 3.922 10 40 DHCB CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)SC1=S 47080738 XBEUZPGCSBQKBU-UKTHLTGXSA-N 307.440 3.695 10 40 DHCB CCC(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 100739161 USIUKWAPLPEETC-QGZVFWFLSA-N 306.361 3.835 10 40 DHCB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 147719795 RYVBJIOTKQSEAO-UHFFFAOYSA-N 313.426 3.519 10 40 DHCB CC(C)(C)CC(C)(C)c1cc(O)c(O)c(CN2CCOCC2)c1 31613795 UWDDPACBBFZNAE-UHFFFAOYSA-N 321.461 3.644 10 40 DHCB Cc1ccc(NC(=O)Cc2ccc(N)cc2)c(Br)c1 19404484 IMMLQEDNDWKKFQ-UHFFFAOYSA-N 319.202 3.521 10 40 DHCB COc1ccc([C@@H](C)NCc2cc(Cl)ccc2O)cc1OC 40477055 UGSUMGUBCXHWIP-LLVKDONJSA-N 321.804 3.914 10 40 DHCB Cc1ccc(-c2n[nH]cc2CNCc2ccc(N(C)C)cc2)cc1 12531660 IMIYTAOLEANDSF-UHFFFAOYSA-N 320.440 3.741 10 40 DHCB COc1cccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1O 818130 HUDGKGLZCWMWQE-IBGZPJMESA-N 321.380 3.854 10 40 DHCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccccc1F 2259909 DWGXRIGNCHTMMW-LCYFTJDESA-N 316.382 3.627 10 40 DHCB Cc1cn2c(/C=C3\C(=O)N(C)c4ccccc43)c(C)nc2s1 8719588 MTEYENIQDHFBTE-JYRVWZFOSA-N 309.394 3.530 10 40 DHCB CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 100016068 RBBWCVQDXDFISW-UHFFFAOYSA-N 320.392 3.954 10 40 DHCB in-man CN(Cc1ccccc1O)C(=O)c1cccn1Cc1ccccc1 89363624 QCTFFFIGJMTPJP-UHFFFAOYSA-N 320.392 3.514 10 40 DHCB COc1cc2c(C)nc3c(c2cc1OC)C(=O)c1ccccc1-3 3468828 ACYZEPAMFPKRSG-UHFFFAOYSA-N 305.333 3.772 10 40 DHCB Cn1cccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 13769777 RIHMVSOYZCYQER-LCYFTJDESA-N 318.398 3.570 10 40 DHCB Cc1c(O)c(CN(C)C)cc2c(-c3ccccc3)cc(=O)oc12 116903 BOCRAGMDMVAGKR-UHFFFAOYSA-N 309.365 3.536 10 40 DHCB CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1 32666152 GNMLAMGWIJFCNT-SFHVURJKSA-N 324.380 3.520 10 40 DHCB Nc1ccc(Oc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1 255188899 MJRWLSAKUDFGQO-UHFFFAOYSA-N 319.364 3.896 10 40 DHCB COc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1188366 VVMNXOBYGWFEHH-LCYFTJDESA-N 317.391 3.694 10 40 DHCB Cc1cccc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 22815663 GIFYHONCWKLCLQ-UHFFFAOYSA-N 324.468 3.635 10 40 DHCB Cc1cccc(-n2c(C)cc(C(=O)Nc3ncccc3O)c2C)c1 64458055 LLNRYOJMTWHNEQ-UHFFFAOYSA-N 321.380 3.755 10 40 DHCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccncc3)S2)cc1C 8656971 DJERNUSRZKQUQR-GDNBJRDFSA-N 309.394 3.781 10 40 DHCB Cc1cc(/N=N/c2cccc(C(=O)O)c2)cc(C(=O)O)c1O 70462720 AKJCQYRKOFRGOD-WUKNDPDISA-N 300.270 3.512 10 40 DHCB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 19736800 ASCJIEIWHQGCOU-UHFFFAOYSA-N 312.413 3.974 10 40 DHCB Cc1cc(C(=O)NCc2ccco2)c(C)n1-c1ccccc1F 32906141 JVEPPNGMXIQVIX-UHFFFAOYSA-N 312.344 3.756 10 40 DHCB