smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CC(=O)c3ccccc3)CC2)cc1 57111051 GDRODOHRNKPDHB-UHFFFAOYSA-N 502.575 1.647 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O 1529051567 KRZBCHWVBQOTNZ-KVMWAVKISA-N 516.455 1.030 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 9019287 VFYIUAQXTNDZNE-DFSFMLJYSA-N 515.617 1.562 10 40 KDCB CC[C@@H](C)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 9240362 YUEMAVXKPJHJRD-STWLCTNKSA-N 507.547 1.509 10 40 KDCB O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1cccnc1 100035166 NJHMIFJYENCFAT-REPBSQRQSA-N 518.662 1.701 10 40 KDCB COC(=O)[C@@H]1c2cc3c(cc2[C@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@](C)(OC)[C@@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@H]([N+](C)(C)[O-])[C@@H]1O 254144373 JTRPMLGIWQJPIB-SOCMZHRJSA-N 787.812 1.445 10 40 KDCB [N-]=[N+]=NCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(=O)O 888086840 WDEYOYQVZPSNFR-UHFFFAOYSA-N 623.705 1.533 10 40 KDCB CCOC(=O)/C=c1\s/c(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)n1CC(=O)N1CCC(C)CC1 102959466 CVPVWHTUPGKDCX-FQQDEDBRSA-N 544.630 1.086 10 40 KDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N2CCN(C)CC2)n(C)c(=O)n3C)C1=O 408534437 QVVRSQBXJRPOHK-FOCLMDBBSA-N 519.562 1.216 10 40 KDCB COc1ccccc1/C=C1/SC(=S)N([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C1=O 254515927 OCFHPJUJYJNEHW-QCMPKVFGSA-N 581.621 1.980 10 40 KDCB O=C1/C(=C/c2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 9330625 GMYQGXRZUDHVQY-IYWFSZBXSA-N 501.634 1.819 10 40 KDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(CCO)CC3)nc12 13563136 QPPLDIHJXMYIEH-SQFNAUOLSA-N 515.661 1.497 10 40 KDCB CC[C@]1(O)C[C@@H](O[C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC 38147304 ZJBMQVPEJHVSQA-ZTEVRYMESA-N 585.606 1.864 10 40 KDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1 54313911 IMMFPCZQLGVNRS-DEOSSOPVSA-N 522.606 1.131 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3nnnn3-c3ccccc3)CC2)cc1 97957510 VFXRLIJOIUVRTA-UHFFFAOYSA-N 574.671 1.537 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 100861995 OBXHPUVUUYXVBL-WISAJEAXSA-N 545.643 1.109 10 40 KDCB COCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S 100858825 ZBHCPWYPYHHAKP-BQGMYUGNSA-N 545.643 1.109 10 40 KDCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)N=C1S 101366002 FYJLHBITUFEPJX-MATYYMKSSA-N 538.630 1.997 10 40 KDCB COc1c(O)cc(C(=O)O[C@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C[C@@H](CO)[C@@H](O)[C@H]2O)cc1O 584567091 ICUQMQMFKIFGTO-PLWGXLJMSA-N 628.539 1.409 10 40 KDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 9096687 WHNLDFZDGQGLIY-NRFANRHFSA-N 507.012 1.577 10 40 KDCB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 9850836 GPTMYWQENPJGCK-NTEUORMPSA-N 504.527 1.672 10 40 KDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(N)=O)c(OC)c3)C2=O)cc1 409223087 GHMRQJFYAWDZMN-VGOFMYFVSA-N 504.293 1.997 10 40 KDCB Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccccc5O)CCN4C3=O)O2)cn1 253399127 ILQYMIMPAMRLHI-HGAMEBRSSA-N 575.666 1.927 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c(OC)c1 104800575 QFVLQXHSSYLRFN-KVYPJNOGSA-N 611.647 1.988 10 40 KDCB CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257346729 PIFZLLZQOSVACN-JSWGAGIDSA-N 596.592 1.879 10 40 KDCB O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O)C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H]1O 100037219 IYXQRCXQQWUFQV-ZSGFIFMUSA-N 516.455 1.030 10 40 KDCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=C[C@@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C 2356096501 PTOFMVRVTDBZKK-SFHVURJKSA-N 518.529 1.868 10 40 KDCB CCCCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 9579561 XSHVZPOGTAIYED-DQSGYLJSSA-N 522.562 1.423 10 40 KDCB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)C1=O)N1CCOCC1 100380534 UEVOJXSHJRNVLD-STZFKDTASA-N 547.590 1.163 10 40 KDCB O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O 4349727 NBAZENYUDPJQIH-JPMJWMMMSA-N 610.524 1.431 10 40 KDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765178 ZWCRERZGTAQCAK-UHFFFAOYSA-N 526.277 1.883 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 9232421 STQGQHZAVUOBTE-TYHGLCHBSA-N 527.526 1.029 10 40 KDCB biogenic COc1c(O)cc(C(=O)O[C@@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C[C@H](CO)[C@H](O)[C@@H]2O)cc1O 150345734 ICUQMQMFKIFGTO-DYSNUFBUSA-N 628.539 1.409 10 40 KDCB COC(=O)C[C@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 100889199 RJVMTWXHYLTSPD-BQGMYUGNSA-N 527.628 1.706 10 40 KDCB COCCNC(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 8777577 XFMMRKFVROXAGQ-HAHDFKILSA-N 538.626 1.942 10 40 KDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408753447 IVIDYPVGQOPOEE-UHFFFAOYSA-N 526.277 1.883 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 2520537 AMZFJNMGTHMAMT-CNYBTUBUSA-N 515.617 1.482 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1 5493201 QAFPIRVGDWNCDV-HBYHRTCUSA-N 528.510 1.063 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(N/C=C4\C(=O)NC(=O)N(C5CCCCC5)C4=O)ccc3N3CCC[C@@H]32)C1=O 97968156 SGWPAJUVAKZTBG-JENJNIGESA-N 548.600 1.955 10 40 KDCB COc1c(O)c(CN2CCC(Cc3ccccc3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 170622011 CWRHIBCQSUKTCK-URKLEXGHSA-N 515.559 1.254 10 40 KDCB CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 254407557 LDZMLSWJYIOGHW-JWSWWCNQSA-N 551.595 1.971 10 40 KDCB CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 101462027 PIFZLLZQOSVACN-XWPYXPDRSA-N 596.592 1.879 10 40 KDCB COC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 2194050 QPCFMGYAJWNYAQ-MKRLJBPISA-N 501.590 1.172 10 40 KDCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 8858035 VDWQIWDCFBPANK-LVJOQWRQSA-N 515.617 1.562 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3C[C@H](O)COc3cccc(C)c3)CC2)cc1 97993333 ZELIEZSNZMJRJA-NRFANRHFSA-N 534.617 1.517 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC 257346717 ANSYEHGCEWSTSC-LQFKQCPZSA-N 611.647 1.988 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)OC1[C@@H](O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H]1O 4918963 IYXQRCXQQWUFQV-MMACTXJOSA-N 516.455 1.030 10 40 KDCB COc1c(O)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O 170622037 XGFMWAPENHISKM-AIFCFFMESA-N 571.410 1.428 10 40 KDCB CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OCC)nc3ccc(C)cn3c2=O)SC1=S 100840520 PKVSYBAROFWNDG-FDIDWWNZSA-N 529.644 1.872 10 40 KDCB CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1 102958088 GVZLFFMMHWPJBX-PWKIUMOWSA-N 565.586 1.814 10 40 KDCB CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257346750 AMQDJPMOQFQPQJ-JOMNBKSRSA-N 595.604 1.700 10 40 KDCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S 100861755 OTHWZLAQZYDHQZ-OOIIRUBYSA-N 529.644 1.871 10 40 KDCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 409124688 KDNRCEJHTKBGLV-XDHOZWIPSA-N 504.590 1.637 10 40 KDCB CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC 85560460 VJRAUFKOOPNFIQ-KBYSOXQUSA-N 845.892 1.626 10 40 KDCB CCOC(=O)/C=c1\s/c(=C/c2ccc(N(C)C)cc2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 97993911 QCMZGSJCEXTDSH-XFMFAQHNSA-N 511.556 1.971 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](OC)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O 5329640 VHJWDTPKSIFZBV-DGNWOUMMSA-N 588.562 1.038 10 40 KDCB in-vitro COC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 2196013 UWHVRJKMUQKKQF-KGTJKXQDSA-N 529.644 1.728 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](OC)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O 5329641 VHJWDTPKSIFZBV-AJHIHQTHSA-N 588.562 1.038 10 40 KDCB in-vitro CCOCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 20149791 UNIGZUGQRROBMR-CYVLTUHYSA-N 517.677 1.745 10 40 KDCB COc1c(I)cc(I)cc1C=C1C(=O)NC(=S)NC1=O 6905784 XWGRYOPZDNTMFO-UHFFFAOYSA-N 514.082 1.819 10 40 KDCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=C[C@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C 2356096500 PTOFMVRVTDBZKK-GOSISDBHSA-N 518.529 1.868 10 40 KDCB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)SC1=S)NCCCN1CCOCC1 150406958 KAPVXJYOJIYUOF-WCWDXBQESA-N 686.948 1.156 10 40 KDCB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(OC)cc3)CC2)C[C@](O)(COc2cccc(F)c2)C1 585283749 ULHATFYARWMDDQ-MUUNZHRXSA-N 531.625 1.766 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O 5329634 VHJWDTPKSIFZBV-LTCSEEJLSA-N 588.562 1.038 10 40 KDCB in-vitro CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 257346728 PIFZLLZQOSVACN-HGLRGHGCSA-N 596.592 1.879 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)Cc1ccccc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150384241 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CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101572445 LDZMLSWJYIOGHW-YJZJDUAOSA-N 551.595 1.971 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC 104800583 ANSYEHGCEWSTSC-AEFVESQCSA-N 611.647 1.988 10 40 KDCB COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@](C)(OC)[C@@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@H](N(C)C)[C@@H]1O 245239545 KGTDRFCXGRULNK-XBFYTQOJSA-N 787.812 1.138 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@H](O)C(OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1 33633541 IYXQRCXQQWUFQV-UINGAZMTSA-N 516.455 1.030 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC 101462009 ANSYEHGCEWSTSC-SZAZGADMSA-N 611.647 1.988 10 40 KDCB O=C(c1cc(CN2CCOCC2)c(O)c([N+](=O)[O-])c1)c1cc(CN2CCOCC2)c(O)c([N+](=O)[O-])c1 4721600 MAHHOOXGHANFQR-UHFFFAOYSA-N 502.480 1.810 10 40 KDCB CCN(CC)[C@H]1C[C@@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O 95749627 UZLYSBZOMMNIJF-MACHLXQMSA-N 599.633 1.384 10 40 KDCB COc1c(O)cc(C(=O)O[C@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C[C@H](CO)[C@H](O)[C@@H]2O)cc1O 150345737 ICUQMQMFKIFGTO-WTTARSIWSA-N 628.539 1.409 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@@H](O[C@H]2CCCCO2)[C@H](C)O1 584566997 KMSKQZKKOZQFFG-FQSDZSELSA-N 627.643 1.552 10 40 KDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N2CCOCC2)c(I)c1 409398764 CMSOSJSCAKMIIK-ATVHPVEESA-N 533.322 1.990 10 40 KDCB COc1c(O)c(CN2CCC(Cc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC2=O 503926978 CWRHIBCQSUKTCK-RNPKDMTRSA-N 515.559 1.254 10 40 KDCB biogenic C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C[C@H](C)O1 102798371 OZXKAEDGCWSYQE-GJZGRUSLSA-N 542.592 1.270 10 40 KDCB CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5396010 AMQDJPMOQFQPQJ-YWITXERDSA-N 595.604 1.700 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccncc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 104196514 LHWXXWBYLCHBTF-KZQWFXRWSA-N 552.583 1.366 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 8035323 STQGQHZAVUOBTE-GVTUGOAOSA-N 527.526 1.029 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)[C@H](O)[C@H](C)O1 72131095 STQGQHZAVUOBTE-YBYNTDGZSA-N 527.526 1.029 10 40 KDCB CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC 256006730 VJRAUFKOOPNFIQ-UJHBGGCHSA-N 845.892 1.626 10 40 KDCB Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 20134664 HPAHTABYCQHACN-NFBGKYEXSA-N 515.661 1.497 10 40 KDCB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1 100972440 QXTSZKQHCHMGIY-VJWVTMRQSA-N 556.647 1.858 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 108562866 JNULUORZABBMIG-LDHAAXQRSA-N 529.644 1.952 10 40 KDCB C[C@]1(O)CC2(CCN(Cc3cc(CC(=O)O)ccc3O)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O 257324053 WMYDOELOXVMAEQ-AVRDEDQJSA-N 538.395 1.791 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 97946198 MIOIZAHCTUCLNA-OVGQPCSFSA-N 557.654 1.333 10 40 KDCB COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@](C)(OC)[C@@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@H]1O 245239543 KGTDRFCXGRULNK-LBBCSJKCSA-N 787.812 1.138 10 40 KDCB O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 27559811 UFCLZKMFXSILNL-BVZNTSJQSA-N 516.455 1.030 10 40 KDCB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1 5396014 JQTATGPAKLXPCI-NBSSJLCUSA-N 611.647 1.988 10 40 KDCB CC[C@]1(O)C[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 85881948 CADJZGPRUYOSGU-NZDDMJNGSA-N 557.552 1.261 10 40 KDCB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O 150437154 NFHCKNWFZUFPRO-ILHPLJRJSA-N 847.879 1.080 10 40 KDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCN(C)CC3)n(C)c(=O)n4C)C2=O)c(C)c1 408535490 YOMMKRDQQHDRNQ-OBGWFSINSA-N 517.590 1.824 10 40 KDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(N)=O 409219704 PEURSKJWYVAKIT-NTUHNPAUSA-N 521.267 1.830 10 40 KDCB COc1c(O)c(CN2CCC(Cc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 85874732 CWRHIBCQSUKTCK-AFOYLGMVSA-N 515.559 1.254 10 40 KDCB biogenic CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OCC)nc3ccccn3c2=O)SC1=S 8858083 UAYAMPLQOVISNH-JORMNFRLSA-N 515.617 1.564 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@H](O)[C@H](C)O1 150342554 OYMYUBNGSRQGOS-AAVABEHESA-N 896.004 1.100 10 40 KDCB in-vitro COc1cc(/C=C2/SC(=S)NC2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 113830734 AZDRXSNPBYNMEQ-GHRIWEEISA-N 516.605 1.835 10 40 KDCB COc1c(O)c(CN2CCC(Cc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1OC2=O 503926979 CWRHIBCQSUKTCK-RXRULMFGSA-N 515.559 1.254 10 40 KDCB biogenic COc1ccccc1/C=C1/SC(=S)N([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C1=O 101462018 OCFHPJUJYJNEHW-DCLKTYMISA-N 581.621 1.980 10 40 KDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(N)=O 409227330 XRQFMXAWCYNGDL-WLRTZDKTSA-N 566.264 1.739 10 40 KDCB 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CC1=NN(C(=O)CC(=O)NC(=O)CC(=O)Nc2ccccc2F)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 104293038 BLNUOIYFXDGPAX-UMQBKLLPSA-N 511.426 1.993 10 40 KDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(N)=O 409217804 BUHPIIVWHIORRU-VGOFMYFVSA-N 551.293 1.926 10 40 KDCB CCOC(=O)/C=c1\s/c(=C/c2ccc(N(CC)Cc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1 102964454 JXNHAQIHWZRQAS-CVRWBSSWSA-N 535.666 1.968 10 40 KDCB CO[C@@H]1[C@@H](O[C@@H]2C[C@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@H]2O[C@@]3(C)[C@H](O)[C@H](N(C)C)[C@@H]2O)O[C@@H](C)[C@@H](OC)[C@@]1(C)OC 253638184 NNEGMXMRXKXKMQ-DDUOADALSA-N 729.776 1.424 10 40 KDCB COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 6135858 ZELWXUXPURPJJT-NRFANRHFSA-N 540.602 1.770 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(N/C=C4/C(=O)NC(=O)N(Cc5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O 97968230 MABXQLSVATWTGG-MNJKBJKMSA-N 556.579 1.823 10 40 KDCB COC(=O)[C@@H]1c2cc3c(cc2[C@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@](C)(OC)[C@@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@@H]([N+](C)(C)[O-])[C@@H]1O 254144362 JTRPMLGIWQJPIB-CUNLMRJLSA-N 787.812 1.445 10 40 KDCB CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C(\C)c3ccco3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 104196459 DSEOOPSSKVYEFC-QQKJUVJBSA-N 555.583 1.954 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 100839542 LEBTWECYRYNVEV-MUBYSKIDSA-N 545.643 1.190 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 100861924 DAWIXAAALMOZOL-FEEIMYBTSA-N 545.643 1.109 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100928959 AMQDJPMOQFQPQJ-BOOINBAISA-N 595.604 1.700 10 40 KDCB COc1c(O)cc(C(=O)O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C[C@H](CO)[C@@H](O)[C@H]2O)cc1O 255978246 ICUQMQMFKIFGTO-DNGWVUCTSA-N 628.539 1.409 10 40 KDCB biogenic CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101572391 PIFZLLZQOSVACN-OCRRQNCRSA-N 596.592 1.879 10 40 KDCB COCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3ccc(C)cn3c2=O)SC1=S 100871287 LKUSOJYNOISYLD-FDIDWWNZSA-N 545.643 1.109 10 40 KDCB COC(=O)C[C@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 100871278 UWHVRJKMUQKKQF-SLHXSTLSSA-N 529.644 1.728 10 40 KDCB CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-] 1542984422 GLHQFKXMGGQWSP-UHFFFAOYSA-N 509.597 1.771 10 40 KDCB COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OS(C)(=O)=O 41085270 WLHSUIUQRHZZMO-AQINLTQESA-N 500.580 1.681 10 40 KDCB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(OC)cc3)CC2)C[C@@](O)(COc2cccc(F)c2)C1 585283753 ULHATFYARWMDDQ-NDEPHWFRSA-N 531.625 1.766 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)Cc1ccccc1)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@@H](C)O1 150384244 FHYLIUSRKUAYTQ-MZCRKNMHSA-N 661.660 1.795 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 100839540 LEBTWECYRYNVEV-UDLNKVAWSA-N 545.643 1.190 10 40 KDCB CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N[C@H]3C[C@@H](C(=O)NC[C@H]1O2)N(Cc1ccccc1O)C3 514287428 BHUSGHOFKRWPAJ-NPCORKRRSA-N 572.684 1.129 10 40 KDCB COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc2)nc(OC)n1 408532933 NDPKRLLUYXLDHF-DTQAZKPQSA-N 554.541 1.882 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)NC(=O)N(c5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O 2205363 STYWODJOAQNHTJ-CKNGIZQFSA-N 527.537 1.915 10 40 KDCB COc1c(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OC2=O 504253563 YJGFOEMLJCZCLE-SBBLWVKJSA-N 592.645 1.707 10 40 KDCB biogenic COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1 104802282 UTEZYJBATUKDNE-UCPCLBRTSA-N 581.621 1.980 10 40 KDCB COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)nc(OC)n1 8424752 JTDQHKDJFDMAES-LGMDPLHJSA-N 524.515 1.873 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 77286413 STQGQHZAVUOBTE-RPDDNNBZSA-N 527.526 1.029 10 40 KDCB in-vitro COCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S 100858828 ZBHCPWYPYHHAKP-WISAJEAXSA-N 545.643 1.109 10 40 KDCB CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N3CCOCC3)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O 59364644 OPBPMGYBSDKJBT-WXUNVNHESA-N 585.606 1.411 10 40 KDCB COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1O 72319909 BEDSGEULUAVXQH-YGCGHWCOSA-N 560.508 1.341 10 40 KDCB biogenic,in-vitro CN1CCN(c2cc3c(cc2N/C=C2/C(=O)NC(=O)N(c4ccc(Cl)cc4)C2=O)n(C)c(=O)n3C)CC1 408538072 ITUSQDOKAUTBLA-VKAVYKQESA-N 523.981 1.861 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)c(OC)c1 254404029 QFVLQXHSSYLRFN-JDLRDMPDSA-N 611.647 1.988 10 40 KDCB 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[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1775937728 WTVVCWJIXLJVCQ-FUDKSRODSA-N 576.717 1.238 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 100848846 ZMLLFQVWPPHDCQ-FEEIMYBTSA-N 529.644 1.871 10 40 KDCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OS(C)(=O)=O 20207070 OXHVAPNAERGTKF-AQINLTQESA-N 500.580 1.681 10 40 KDCB CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S 12112399 WCWVQRAZJHFABI-DFSFMLJYSA-N 515.617 1.482 10 40 KDCB CN1C(=O)/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C(=O)NC1=S 408913540 VKLLUXAYLTXVJC-FARCUNLSSA-N 572.118 1.616 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@H](C)O1 3995931 STQGQHZAVUOBTE-GKPNIHARSA-N 527.526 1.029 10 40 KDCB in-vitro COc1c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC2=O 503983833 OMRCJXOKYUNZAT-BVQLEYMHSA-N 628.625 1.985 10 40 KDCB biogenic 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CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408913725 NIQQUDJPKAXHAN-BJMVGYQFSA-N 504.302 1.498 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)N=C(S)N(C5CC5)C4=O)ccc3N3CCC[C@@H]32)C1=O 9429126 SXDRLWBLTDPKEK-QIPHDZALSA-N 507.572 1.449 10 40 KDCB COc1c(O)c(CN2CCN(c3cc(Cl)ccc3C)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OC2=O 504110228 MYFHQHLVBUBDLG-ULFYXUDLSA-N 550.992 1.083 10 40 KDCB biogenic CCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 247960256 CZQVKXODOPXMJQ-OYMLAFBASA-N 541.553 1.419 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+](C)(C)C)[C@H](O)[C@H](C)O1 5369385 COYCQUYRQRSTMQ-DQNLOAIHSA-O 570.615 1.776 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(N/C=C4/C(=O)NC(=O)N(Cc5ccccc5)C4=O)ccc3N3CCC[C@H]32)C1=O 97968231 MABXQLSVATWTGG-BARSGRSVSA-N 556.579 1.823 10 40 KDCB CC1=NN(C(=O)CC(=O)NC(=O)CC(=O)Nc2ccccc2F)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 102970570 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627.643 1.552 10 40 KDCB Cc1nnc(-c2ccc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc2)nn1 616568358 PQDMYSBOSSHIPG-UHFFFAOYSA-N 606.681 1.675 10 40 KDCB O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 8872571 UYTDRPMHIGAZTI-VLGSPTGOSA-N 531.660 1.655 10 40 KDCB COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O 245238764 ARHCERKSYCUZKP-ZHKFPRBTSA-N 658.653 1.080 10 40 KDCB COC(=O)C[C@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 2712456 MPZNFFZLHRTTOQ-HEUOVEHFSA-N 515.617 1.420 10 40 KDCB CC[C@@]1(O)C[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 85881951 CADJZGPRUYOSGU-XNSYQJBMSA-N 557.552 1.261 10 40 KDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccco3)CC2)cc1 97990815 NKCRMFYBRSYGNM-DEOSSOPVSA-N 555.657 1.274 10 40 KDCB CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 8858079 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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)O)C[C@@H]3O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@@H](OC)OCCN23)[C@H](C)O1 165837200 QRJDFOACHALIRS-LURYFDOKSA-N 627.599 1.235 10 40 KDCB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 59816425 BNHKOOFYABWCTK-DEOSSOPVSA-N 537.617 1.350 10 40 KDCB COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc4c3=O)CC2)cc1 9434195 PRYANBAVWOZQNB-UHFFFAOYSA-N 512.588 1.520 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@H](O)COc3ccc(C)c(C)c3)CC2)cc1 97993323 GJDKIOLPTDSTIA-NRFANRHFSA-N 534.617 1.815 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)NC(=O)N(CCc5ccccc5)C4=O)ccc3N3CCC[C@@H]32)C1=O 97967925 NFHXWZVNEIKUIZ-BTZCDPCDSA-N 555.591 1.953 10 40 KDCB COc1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4F)CC3)CC2)cc1 12640613 YJWDBWDSLHVBTB-UHFFFAOYSA-N 512.554 1.768 10 40 KDCB COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@](C)(OC)[C@@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@H](N(C)C)[C@H]1O 245239544 KGTDRFCXGRULNK-WAMCHEDRSA-N 787.812 1.138 10 40 KDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408926156 VOUSUHAWBCAGCZ-UHFFFAOYSA-N 509.949 1.989 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 82185312 NKMHRLWNPZSPGM-CZTLBAOOSA-N 728.656 1.289 10 40 KDCB CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1Cl 103567164 MPHIKSIQHHIRHL-GYJAIJNQSA-N 511.969 1.546 10 40 KDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 9926451 VEQNXQGOGHRLAG-OAQYLSRUSA-N 515.954 1.936 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 100861998 OBXHPUVUUYXVBL-BQGMYUGNSA-N 545.643 1.109 10 40 KDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Br)cc3)CC2)cc1 102100693 SBADSJYXOSQJTR-QFIPXVFZSA-N 544.450 1.936 10 40 KDCB COc1c(O)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1OC2=O 503957556 XGFMWAPENHISKM-KHRYZQIISA-N 571.410 1.428 10 40 KDCB biogenic COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1 5493200 QAFPIRVGDWNCDV-VVVOFHFBSA-N 528.510 1.063 10 40 KDCB O=c1cc(-c2ccccc2)oc2c(CN3CCN(CCO)CC3)c(O)c(CN3CCN(CCO)CC3)c(O)c12 22854532 BLNYVUONFXTDPB-UHFFFAOYSA-N 538.645 1.091 10 40 KDCB biogenic COc1c(O)c(CN2CCN(c3cc(Cl)ccc3C)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC2=O 504110227 MYFHQHLVBUBDLG-PDGNBPJKSA-N 550.992 1.083 10 40 KDCB biogenic CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@H]3C(=O)NC[C@H]1O2 253408417 XWJODEMIELQEGI-WCJVPVSSSA-N 536.629 1.670 10 40 KDCB CCOC(=O)COc1c(I)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 408928237 YAJNMYZABYXHAY-UHFFFAOYSA-N 502.261 1.676 10 40 KDCB COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O 100035154 QILBLIUSTIBAMI-AUHRLHRGSA-N 525.694 1.627 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC(C)=O)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@H](C)O1 5766970 CHQMQLOAJJBABN-XLCNCFELSA-N 601.630 1.289 10 40 KDCB O=C(O)CN(CC(=O)O)Cc1cc2c(-c3ccccc3C(=O)O)c3cc(CN(CC(=O)O)CC(=O)O)c(=O)cc-3oc2cc1O 38139390 XIAYFENBYCWHGY-UHFFFAOYSA-N 622.539 1.911 10 40 KDCB biogenic,in-vitro COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1OC)C[C@](C)(O)C3 245240142 OLPGXNLHFAJTBC-OGDCUHENSA-N 530.526 1.118 10 40 KDCB CCCCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9446826 XSHVZPOGTAIYED-FLXZHSAZSA-N 522.562 1.423 10 40 KDCB CN1C(=O)C(=CN[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)O)C(=O)N(C)C1=O 70699984 MOLLPFCWGCWKHC-NSHDSACASA-N 599.119 1.121 10 40 KDCB biogenic CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCC(=O)OC 59139812 DIRIWJCIXFMRSZ-UHFFFAOYSA-N 518.329 1.840 10 40 KDCB CN1C(=O)C(=Cc2cc(I)c(OCC(=O)O)c(I)c2)C(=O)N(C)C1=O 408771341 FVDYJJIKHPYBIA-UHFFFAOYSA-N 570.077 1.793 10 40 KDCB COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CCNCC3)cc1CNCC2=O 958317625 QILBLIUSTIBAMI-JCYRPKCISA-N 525.694 1.627 10 40 KDCB CC[C@H](C)N1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 9429830 XVXDBIZXLQJPLT-WRCNFTOMSA-N 522.562 1.421 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](N(C)C)[C@@H](O)[C@H](C)O1 59364623 MNZPHZWBCGOICS-SWAIZUBDSA-N 555.580 1.632 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 100928957 AMQDJPMOQFQPQJ-HGHLPDOQSA-N 595.604 1.700 10 40 KDCB CNS(=O)(=O)c1cccc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c1 102798553 HZCJRWMMBAJEDK-UHFFFAOYSA-N 520.545 1.939 10 40 KDCB COc1ccc(N2C(=O)/C(=C\NC[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)C(=O)NC2=S)cc1 20411204 LUZAWFWYHUDGEO-UWKDKTGGSA-N 510.572 1.883 10 40 KDCB biogenic CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S 2321938 WCWVQRAZJHFABI-CNYBTUBUSA-N 515.617 1.482 10 40 KDCB O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@]2(C(=O)O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)[C@H]1O2 2060990735 NIILNOCOQHUXGJ-PMLZSKSVSA-N 544.465 1.020 10 40 KDCB CCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 247960264 CZQVKXODOPXMJQ-UZYIQTHDSA-N 541.553 1.419 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@](OC(=O)/C=C\c2ccc(O)c(O)c2)(C(=O)O)C[C@H](O)[C@@H]1O 38150659 YDDUMTOHNYZQPO-GNBGTWALSA-N 516.455 1.030 10 40 KDCB O=C(/C=C/c1ccccc1)OC/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1 150343714 WRSGLSMQZLBGNH-IPROSARMSA-N 808.786 1.627 10 40 KDCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)CSc3nnc(N)n3CC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 102852592 HFDGLRWVRPCKFZ-UHFFFAOYSA-N 580.715 1.667 10 40 KDCB COc1c(O)c(CN2CCC(Cc3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O 170622009 CWRHIBCQSUKTCK-PEIMUEQGSA-N 515.559 1.254 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1OC)C[C@](C)(O)C3 245240141 OLPGXNLHFAJTBC-JJPDZDKISA-N 530.526 1.118 10 40 KDCB COCCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2367149 QVFDSHPQXCYHBV-LGMDPLHJSA-N 501.634 1.942 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)OC1[C@@H](O)CC(OC(=O)/C=C\c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1O 33633537 IYXQRCXQQWUFQV-QAABBGLQSA-N 516.455 1.030 10 40 KDCB COC(=O)C1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 44386723 VEBNYMXKXIIGFX-IYVYCCGLSA-N 530.482 1.118 10 40 KDCB biogenic CCOCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 13564571 YLTJNDVCKFEFPE-MNDPQUGUSA-N 517.677 1.745 10 40 KDCB O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1cccnc1 67879027 XVEMSRMPWHEMSA-ZEQRLZLVSA-N 520.678 1.925 10 40 KDCB COc1cc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(Br)cc54)c(=O)n3C2)cc(OC)c1OC 2252490 KYOPVZPFKMUITB-ZPHPHTNESA-N 531.388 1.904 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@@H](C)O1 3830633 STQGQHZAVUOBTE-OCOSWCCZSA-N 527.526 1.029 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCCn3c(N4CCN(c5ccc(OC)cc5)CC4)nc4c3c(=O)[nH]c(=O)n4C)CC2)cc1 157200449 QPXYTPLEGFLHSV-UHFFFAOYSA-N 766.864 1.311 10 40 KDCB COc1c(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 79193178 YJGFOEMLJCZCLE-IRPRPKMMSA-N 592.645 1.707 10 40 KDCB biogenic COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1 101459502 UTEZYJBATUKDNE-DCLKTYMISA-N 581.621 1.980 10 40 KDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(N)=O 409219713 UERPUTMIXHJVJB-AWNIVKPZSA-N 539.257 1.969 10 40 KDCB CCOC(=O)COc1c(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 655881 HWLMZFAAHAPORL-UHFFFAOYSA-N 518.329 1.840 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@H](C)CSc3ncccn3)CC2)cc1 10249212 NSPBGVMERIADDV-KRWDZBQOSA-N 522.635 1.977 10 40 KDCB CN1C(=O)C(=CNc2cc3c(cc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n3C)C(=O)N(C)C1=O 408526626 BTMGCFWUJAQTJM-UHFFFAOYSA-N 503.563 1.550 10 40 KDCB COc1c(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC2=O 504253561 YJGFOEMLJCZCLE-BVQLEYMHSA-N 592.645 1.707 10 40 KDCB biogenic O=C1/C(=C\c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 25540269 DKNZUNQWWRARKV-WDMNMGCXSA-N 501.634 1.189 10 40 KDCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1 104196443 JQTATGPAKLXPCI-SZAZGADMSA-N 611.647 1.988 10 40 KDCB Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 20134668 HPAHTABYCQHACN-MCRQTXEHSA-N 515.661 1.497 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)N=C(S)N(C5CC5)C4=O)ccc3N3CCC[C@H]32)C1=O 9429130 SXDRLWBLTDPKEK-FYXHJSOBSA-N 507.572 1.449 10 40 KDCB 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551.595 1.971 10 40 KDCB CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OCC 658812 USOPJMJGCWRADI-IZZDOVSWSA-N 518.329 1.888 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+](C)(C)C)[C@@H](O)[C@H](C)O1 5369383 COYCQUYRQRSTMQ-RPFMNGOASA-O 570.615 1.776 10 40 KDCB O=C(OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 85742124 GAWOMYRLBFCSGL-ABMCRHEDSA-N 752.590 1.719 10 40 KDCB biogenic,in-vitro CN1CCN(c2cc3c(cc2N/C=C2\C(=O)NC(=O)N(CCc4ccccc4)C2=O)n(C)c(=O)n3C)CC1 408526298 BNYMRMBCWTZWAN-HTXNQAPBSA-N 517.590 1.246 10 40 KDCB Cn1c(N)c(C(=O)COC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(=O)n(C)c1=O 3233113 KKDPXTFPIWRMJH-RKQKHZQPSA-N 514.585 1.240 10 40 KDCB CCN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)N(CC)C1=O 9015819 FYKWSCLCFUCQNM-IBGZPJMESA-N 507.547 1.462 10 40 KDCB 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CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5396006 PIFZLLZQOSVACN-SXVVZBAKSA-N 596.592 1.879 10 40 KDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 9926452 VEQNXQGOGHRLAG-NRFANRHFSA-N 515.954 1.936 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5396007 PIFZLLZQOSVACN-VXLQEKCDSA-N 596.592 1.879 10 40 KDCB COC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 100889196 RJVMTWXHYLTSPD-WISAJEAXSA-N 527.628 1.706 10 40 KDCB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2 15958930 ZQPXWJIOSBNZKO-CKXGOFNASA-N 513.506 1.990 10 40 KDCB biogenic CCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 2335998 NIEVXUREFZYKBX-ADVGAGMGSA-N 501.590 1.174 10 40 KDCB CCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 8858017 VZRLAHPJFYWRSV-WMJYUBJYSA-N 515.617 1.564 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1cccnc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 150384248 XNPXCAQTDHPAQC-LDYBSKKZSA-N 648.621 1.261 10 40 KDCB O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccc1O)CC2 1548891246 ZBBTZZLDTKACEK-RPWUZVMVSA-N 586.711 1.286 10 40 KDCB CCCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 100902118 DQFMPEIBFIKCOQ-MUBYSKIDSA-N 529.644 1.954 10 40 KDCB O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1O 100158073 IYXQRCXQQWUFQV-PSEXTPKNSA-N 516.455 1.030 10 40 KDCB endogenous,in-man O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 38517271 UFCLZKMFXSILNL-KDBOUVDRSA-N 516.455 1.030 10 40 KDCB biogenic,in-vitro COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccccc1)C[C@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@@H](C)O1 150384255 PCSBRUOROMKFCU-XUTQAFIISA-N 647.633 1.866 10 40 KDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Br)cc3)CC2)cc1 102100698 SBADSJYXOSQJTR-JOCHJYFZSA-N 544.450 1.936 10 40 KDCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCN(C)CC3)n(C)c(=O)n4C)C2=O)c1 408526849 DEPIMDFKZUGEIH-OBGWFSINSA-N 517.590 1.824 10 40 KDCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 665590 IOQKFSASWAXVNP-HEHNFIMWSA-N 559.583 1.807 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 8858077 JVMRZOZENLFYJW-WJQTUHTMSA-N 501.590 1.092 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 100861920 HGLQOLIXHKMUDO-FNTDYBJHSA-N 529.644 1.871 10 40 KDCB C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O 33861410 JFLAOPHOUGDFGC-ILADGKKJSA-N 600.485 1.470 10 40 KDCB biogenic,in-vitro COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1cccnc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150384247 XNPXCAQTDHPAQC-LLWWZGNPSA-N 648.621 1.261 10 40 KDCB CC1=NN(C(=O)CC(=O)NC(=O)CC(=O)Nc2ccccc2F)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 102970567 BLNUOIYFXDGPAX-CWHMERMBSA-N 511.426 1.993 10 40 KDCB CCN(CC)[C@@H]1C[C@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O 95749624 UZLYSBZOMMNIJF-NDAQAYMYSA-N 599.633 1.384 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)C[C@](C)(O)C3 4293359 OLPGXNLHFAJTBC-MOSNIITNSA-N 530.526 1.118 10 40 KDCB COc1c(O)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 170622038 XGFMWAPENHISKM-DBPUZLCNSA-N 571.410 1.428 10 40 KDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1 409074890 NUCLOQJZCWNPQZ-UHFFFAOYSA-N 544.348 1.982 10 40 KDCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 2280304 VDWQIWDCFBPANK-QDFKPCHESA-N 515.617 1.562 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 3830632 STQGQHZAVUOBTE-HBYHRTCUSA-N 527.526 1.029 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccncc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5389627 LHWXXWBYLCHBTF-CYUIXILWSA-N 552.583 1.366 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC)C[C@](C)(O)C3 103217504 OLPGXNLHFAJTBC-JZTZKYLBSA-N 530.526 1.118 10 40 KDCB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(N2CCOCC2)cc1 223257542 KEEBCDZUFJVBNN-UHFFFAOYSA-N 503.621 1.802 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@@H](C)O1 105414987 STQGQHZAVUOBTE-YOIZVKKVSA-N 527.526 1.029 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](N(C)C)[C@H](O)[C@@H](C)O1 59364624 MNZPHZWBCGOICS-RJXLUZKPSA-N 555.580 1.632 10 40 KDCB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(OC)cc3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585287805 SETKWHRPMGBODA-NDEPHWFRSA-N 549.615 1.905 10 40 KDCB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C[C@H](N3C(=O)/C(=C/c4ccccc4)SC3=S)C2=O)cc1 100972315 YJZORFWQNRNSHO-IUPCOXQMSA-N 530.609 1.301 10 40 KDCB COC(=O)[C@]1(Sc2ccccc2)C[C@H](OC(C)=O)[C@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](CN=[N+]=[N-])OC(C)=O)O1 504234892 YBDMZZOROXIIKI-YUMZJIHHSA-N 624.625 1.590 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)cc1 254769902 UTEZYJBATUKDNE-QCMPKVFGSA-N 581.621 1.980 10 40 KDCB CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)C(=O)O 102622105 OZBOIRPVHRSUAT-SKRLDKQVSA-N 537.641 1.017 10 40 KDCB CCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S 100861964 VOINHGFZMJZFSD-BQGMYUGNSA-N 529.644 1.872 10 40 KDCB CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3cccnc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 104196498 JEMZACCXCHZVTH-LXTODHJJSA-N 552.583 1.366 10 40 KDCB O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O 4349725 NBAZENYUDPJQIH-OAUOQPQSSA-N 610.524 1.431 10 40 KDCB NC1=c2c(O)c(/C=C\c3ccccc3)c(S(=O)(=O)O)cc2=CC(=S(=O)(O)O)C1=[N+]=Nc1ccc([N+](=O)[O-])cc1 409415834 LMPRSEZQGGZJNK-WDZFZDKYSA-O 571.569 1.414 10 40 KDCB COc1c(O)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC2=O 503957555 XGFMWAPENHISKM-HOEVDNKCSA-N 571.410 1.428 10 40 KDCB biogenic CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CN(C)CCN32)C1=O 97968092 DPZSDJSIFQOLBC-GFCAVMEOSA-N 564.643 1.442 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 8858078 JVMRZOZENLFYJW-BUYRESAOSA-N 501.590 1.092 10 40 KDCB CC1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3O)CC2)CC1 102798335 VZUDWOJEHXGHJP-UHFFFAOYSA-N 567.646 1.836 10 40 KDCB O=C(/C=C/c1ccccc1)OC/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 150343718 WRSGLSMQZLBGNH-JOLKNKESSA-N 808.786 1.627 10 40 KDCB biogenic,in-vitro COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1 5396015 JQTATGPAKLXPCI-BWXNPLOHSA-N 611.647 1.988 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)OC1[C@@H](O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1O 4918956 IYXQRCXQQWUFQV-OUGUZLSLSA-N 516.455 1.030 10 40 KDCB O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O[C@H](CO)[C@H](O)[C@@H]1O 584908991 XIKYOEXOYRWIOU-PXRUZPBGSA-N 594.525 1.767 10 40 KDCB biogenic,in-vitro COc1ccc2c3c(n(CCC(=O)NCc4cc(=O)n(C)c(=O)n4C)c(=O)c2c1OC)-c1ccccc1C3=O 604405428 SLEVEFMKLKNXTB-UHFFFAOYSA-N 530.537 1.334 10 40 KDCB biogenic COc1c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1OC2=O 503983863 OMRCJXOKYUNZAT-XCZOVRFTSA-N 628.625 1.985 10 40 KDCB biogenic CNCCN(C)C(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H]4[C@H](O[C@@H]5[C@@H](OC)OCCN45)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 1777699038 XGQVZTMSFDNDRX-KCNAVCIPSA-N 755.774 1.007 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3C[C@@H](O)COc3cccc(C)c3)CC2)cc1 97993332 ZELIEZSNZMJRJA-OAQYLSRUSA-N 534.617 1.517 10 40 KDCB COc1c(O)cc(C(=O)O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C[C@H](CO)[C@H](O)[C@H]2O)cc1O 255978247 ICUQMQMFKIFGTO-HFQZPGMXSA-N 628.539 1.409 10 40 KDCB biogenic O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)SC1=S)N1CCOCC1 101000062 OQTHFZRQBOVDPV-ISLYRVAYSA-N 572.756 1.197 10 40 KDCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O 59091611 ZACGCIJOSAVHQF-MPODBYEKSA-N 609.506 1.446 10 40 KDCB in-vitro CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O 100035262 GWCPWTHLBZADKO-JBXJEGJESA-N 562.715 1.906 10 40 KDCB CCOCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S 100861291 NGLZWNNPAMNMSE-UDLNKVAWSA-N 545.643 1.190 10 40 KDCB CCCN1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9348669 UYXIHRDMOWBAIR-QCUIPMNBSA-N 508.535 1.033 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3cccnc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 104196502 JEMZACCXCHZVTH-HNPNGKAOSA-N 552.583 1.366 10 40 KDCB O=C1NC(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(c3ccccc3)CC2)C(=O)N1 59490016 CKTWXUSNIQCTTQ-UHFFFAOYSA-N 514.520 1.330 10 40 KDCB O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O 95909967 FMIYQZIXXGXUEI-WRHPJKEKSA-N 796.599 1.379 10 40 KDCB biogenic,in-vitro O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N3CCCC3)C2=O)SC1=S)N1CCCC1 8819078 RSNSUZAZORBENW-FOCLMDBBSA-N 512.704 1.944 10 40 KDCB O=C(O)CN(CC(=O)O)Cc1cc2c(c(CN(CC(=O)O)CC(=O)O)c1O)Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21 103666446 LZWYTBDLXMGUEL-PMERELPUSA-N 622.539 1.608 10 40 KDCB CCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OCC)nc3ccccn3c2=O)SC1=S 100833192 BDDZYJLOYGHUCE-MUBYSKIDSA-N 529.644 1.954 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC 101462006 ANSYEHGCEWSTSC-UJFGECBPSA-N 611.647 1.988 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101572397 PIFZLLZQOSVACN-LSXFZMABSA-N 596.592 1.879 10 40 KDCB COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O 85540240 KGTDRFCXGRULNK-JYOBTZKQSA-N 787.812 1.138 10 40 KDCB biogenic,in-man O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2 15958933 ZQPXWJIOSBNZKO-JFRXHZBCSA-N 513.506 1.990 10 40 KDCB biogenic C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C[C@@H](C)O1 102798369 OZXKAEDGCWSYQE-GASCZTMLSA-N 542.592 1.270 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 9019288 VFYIUAQXTNDZNE-CNYBTUBUSA-N 515.617 1.562 10 40 KDCB COCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(OC)cc4)C[C@@H]32)C1=O 8974941 PQIJJPXKKOXSIB-PXDATVDWSA-N 509.519 1.566 10 40 KDCB CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC 38147303 ZJBMQVPEJHVSQA-GQHGESMZSA-N 585.606 1.864 10 40 KDCB biogenic CN1C(=O)C(=Cc2cc(I)c(OCC(=O)O)c(I)c2)C(=O)N(C)C1=S 103856490 ZPOXQBPNPSDDKB-UHFFFAOYSA-N 586.145 1.958 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 248016809 KMSKQZKKOZQFFG-WZTZXAJCSA-N 627.643 1.552 10 40 KDCB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C[C@@H](C)O1 102798372 OZXKAEDGCWSYQE-HUUCEWRRSA-N 542.592 1.270 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 8767831 ABWXKVUICKHTGT-HEUOVEHFSA-N 515.617 1.482 10 40 KDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(N)=O)c(OC)c3)C2=O)cc1 409226810 VWYLTMDMBRWUBN-VGOFMYFVSA-N 551.293 1.839 10 40 KDCB CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 41077836 TZDXHPMCPHFIBB-RRRDMQOJSA-N 506.971 1.698 10 40 KDCB COCC(=O)N1CCN(CC2(O)CCN(c3ccc(OC)cc3)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585287804 SETKWHRPMGBODA-MUUNZHRXSA-N 549.615 1.905 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1 5493202 QAFPIRVGDWNCDV-OCOSWCCZSA-N 528.510 1.063 10 40 KDCB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1 104196438 JQTATGPAKLXPCI-UJFGECBPSA-N 611.647 1.988 10 40 KDCB CCOCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 20080144 WZNNNMKGPKEKGT-VLGSPTGOSA-N 503.650 1.437 10 40 KDCB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 59816419 BNHKOOFYABWCTK-XMMPIXPASA-N 537.617 1.350 10 40 KDCB COc1c(O)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 79190117 XGFMWAPENHISKM-LMDIQUGSSA-N 571.410 1.428 10 40 KDCB biogenic CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCNC(=O)[C@@H]3CC(=O)OC)nc3ccc(C)cn3c2=O)SC1=S 100871276 NVMTYVIAVPJXOL-JZSRGSOXSA-N 529.644 1.871 10 40 KDCB COc1ccccc1/C=C1/SC(=S)N([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C1=O 104800571 OCFHPJUJYJNEHW-ZQDJPSFSSA-N 581.621 1.980 10 40 KDCB CS(=O)(=O)Oc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1Cl 9345367 MPHIKSIQHHIRHL-FHJHWHQUSA-N 511.969 1.546 10 40 KDCB O=C(O)CN(CC(=O)O)Cc1cc(C2(c3ccc(O)c(CN(CC(=O)O)CC(=O)O)c3)OC(=O)c3ccccc32)ccc1O 4284456 QHKMTHBQSIKVAC-UHFFFAOYSA-N 608.556 1.503 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3ncccn3)CC2)cc1 9392064 XHHPUCBKUBBHJJ-UHFFFAOYSA-N 508.608 1.351 10 40 KDCB CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 254407553 LDZMLSWJYIOGHW-JUMCKLOWSA-N 551.595 1.971 10 40 KDCB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21 408535029 SECVDBQQJVUPCW-SSZFMOIBSA-N 510.938 1.946 10 40 KDCB O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@@H](O)[C@H]21)OCCc1ccc(O)c(O)c1 253369256 AIPGFMVNUMXXEM-MATHTASDSA-N 516.499 1.634 10 40 KDCB biogenic,in-vitro COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccccc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 150384253 PCSBRUOROMKFCU-HIVKVFQHSA-N 647.633 1.866 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccccc1)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 150384251 PCSBRUOROMKFCU-LTMDWZNUSA-N 647.633 1.866 10 40 KDCB CCCCN1C(=O)/C(=C/Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)N=C1S 101353334 USHPJNJKZRYBRX-FLXZHSAZSA-N 538.630 1.999 10 40 KDCB CN1C(=O)C(=Cc2ccc3c(c2Cl)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)N(C)C1=O 9510759 JQFPZIQEUYBQHZ-INIZCTEOSA-N 513.938 1.336 10 40 KDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 9926448 UNFVYFVPJDLDCA-NRFANRHFSA-N 526.590 1.401 10 40 KDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(N)=O 409224151 KYSQOFCOZDTUOC-AWNIVKPZSA-N 537.266 1.536 10 40 KDCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OS(C)(=O)=O)c(OC)c3)C(=O)N=C2S1 41084004 MJIHUPZJAATWLR-RRRDMQOJSA-N 506.971 1.698 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 82185319 NKMHRLWNPZSPGM-PDLJOJABSA-N 728.656 1.289 10 40 KDCB CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 257346749 AMQDJPMOQFQPQJ-CWJHOHPISA-N 595.604 1.700 10 40 KDCB COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1OC)C[C@](C)(O)C3 4293357 OLPGXNLHFAJTBC-YEHZAZAOSA-N 530.526 1.118 10 40 KDCB CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6089359 XOXGFKKGRAUKEX-QFIPXVFZSA-N 554.629 1.966 10 40 KDCB O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1ccccn1 100035161 HXSOECQTAZLHEN-OBDFOFBVSA-N 518.662 1.701 10 40 KDCB O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@H](O)[C@H]21)OCCc1ccc(O)c(O)c1 253369255 AIPGFMVNUMXXEM-GEAMXOOPSA-N 516.499 1.634 10 40 KDCB biogenic,in-vitro CCCC(=O)N[C@H]1C[C@@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O 5052409 CBBJXBKRCWMSIQ-PXGNOGGOSA-N 597.617 1.987 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 101462029 PIFZLLZQOSVACN-LLIRCPGMSA-N 596.592 1.879 10 40 KDCB CCCCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OCC)nc3ccccn3c2=O)SC1=S 100833194 BDDZYJLOYGHUCE-UDLNKVAWSA-N 529.644 1.954 10 40 KDCB CC(C)[C@H](NC(=O)CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)C(=O)O 104150735 OZBOIRPVHRSUAT-CRLDLGOSSA-N 537.641 1.017 10 40 KDCB COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@](C)(OC)[C@@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O 245239542 KGTDRFCXGRULNK-KTQPQRTBSA-N 787.812 1.138 10 40 KDCB COc1c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O 79189421 OMRCJXOKYUNZAT-IRPRPKMMSA-N 628.625 1.985 10 40 KDCB biogenic COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(N)=O)c(OC)c3)C2=O)cc1 409222435 DATSBVHVRQLGAV-VGOFMYFVSA-N 579.303 1.617 10 40 KDCB COc1c(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1OC2=O 504253564 YJGFOEMLJCZCLE-XCZOVRFTSA-N 592.645 1.707 10 40 KDCB biogenic Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(O)c12 100019449 RLABQVIDZHMCJN-QZQOTICOSA-N 611.610 1.630 10 40 KDCB 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QQCIJWUSNQNBCQ-UXHICEINSA-N 501.605 1.450 10 40 KDCB O=C1/C(=C/c2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 9330630 GMYQGXRZUDHVQY-VVZNPABPSA-N 501.634 1.819 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1[C@H](O)C[C@@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 17216521 UFCLZKMFXSILNL-MGZSMLFTSA-N 516.455 1.030 10 40 KDCB O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@@H](O)[C@@H]21)OCCc1ccc(O)c(O)c1 230148665 AIPGFMVNUMXXEM-ZKDQYBJRSA-N 516.499 1.634 10 40 KDCB biogenic,in-vitro CC(C)N1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9580633 HHLSGOLIHZWSDP-QIPRVMPFSA-N 508.535 1.031 10 40 KDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCN(C)CC3)n(C)c(=O)n4C)C2=O)cc1C 408527489 FWHKMUWSKTURLL-XDJHFCHBSA-N 517.590 1.824 10 40 KDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC(C)=O)C[C@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1 5766966 CHQMQLOAJJBABN-ADXFCMBGSA-N 601.630 1.289 10 40 KDCB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2 15958931 ZQPXWJIOSBNZKO-HUDHWQHISA-N 513.506 1.990 10 40 KDCB biogenic O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O 59764636 NBAZENYUDPJQIH-ABHNWBABSA-N 610.524 1.431 10 40 KDCB O=C1N=C(O)/C(=C/Nc2ccc3c(c2)C[C@]2(C(=O)N=C(O)N=C2O)[C@H]2CN(Cc4ccccc4)CCN32)C(=O)N1 107942583 SCXVTBXHDWHGSY-HXUWFJFHSA-N 543.540 1.833 10 40 KDCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(N)=O)C2=O)cc1 409220382 YILWXDIRYGPPMM-OQLLNIDSSA-N 502.277 1.766 10 40 KDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)cc1 22609716 NYYPFZGCQUDEIY-QHCPKHFHSA-N 525.606 1.190 10 40 KDCB COC(=O)c1ccc2c(=O)n(CCC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)c(S)nc2c1 32959240 QIUMCBQUXNNWRX-UHFFFAOYSA-N 525.631 1.809 10 40 KDCB COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c(OC)c1 101462015 QFVLQXHSSYLRFN-RMMYPRIMSA-N 611.647 1.988 10 40 KDCB O=C(/C=C\c1ccc(O)c(O)c1)O[C@@]1(C(=O)O)C[C@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 38150660 YDDUMTOHNYZQPO-UDRRJANHSA-N 516.455 1.030 10 40 KDCB CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccncc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5389626 LHWXXWBYLCHBTF-QWYNJRATSA-N 552.583 1.366 10 40 KDCB CC1(C)OCC([N+](=O)[O-])(/[N+]([O-])=N/c2nonc2/N=N\c2nonc2/N=[N+](\[O-])C2([N+](=O)[O-])COC(C)(C)OC2)CO1 102461963 DZAQGXGFJUATEH-MHSUMRSSSA-N 572.408 1.568 10 40 KDCB COC(=O)C[C@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 8858015 QPCFMGYAJWNYAQ-QTNMRXCUSA-N 501.590 1.172 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 8858082 MYVKDSRMZNBMEY-ADVGAGMGSA-N 501.590 1.174 10 40 KDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408885808 BCNAOVGDIYVVJF-UHFFFAOYSA-N 573.277 1.725 10 40 KDCB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 2357233 AMZFJNMGTHMAMT-DFSFMLJYSA-N 515.617 1.482 10 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CN1C(=O)C(=Cc2ccc3c(c2Cl)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)N(C)C1=O 9510758 JQFPZIQEUYBQHZ-MRXNPFEDSA-N 513.938 1.336 10 40 KDCB COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1 54313909 IMMFPCZQLGVNRS-XMMPIXPASA-N 522.606 1.131 10 40 KDCB CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(\C)c3ccncc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 104196522 YFCIHFQEPQULLQ-RABFJCFXSA-N 566.610 1.756 10 40 KDCB COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 6135948 PWEDKAUSQPVOGP-JOCHJYFZSA-N 554.629 1.812 10 40 KDCB CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O 9089669 HJZLKJKFWOLQLS-XEYRCQSKSA-N 507.547 1.510 10 40 KDCB CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1 104313558 GVZLFFMMHWPJBX-VHAJSEAWSA-N 565.586 1.814 10 40 KDCB Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccccc3O)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O 1548891147 XZBBHPCYBWREDE-YADHBBJMSA-N 582.683 1.245 10 40 KDCB COc1ccc(-n2nnnc2CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 100273468 LYVTVNRZOPLEDQ-UHFFFAOYSA-N 528.620 1.780 10 40 KDCB COc1c(Br)cc(Br)cc1C=[N+]=NC(=O)CN1NC=[N+]2NC(C)=CC(O)=C12 408720334 LGSNOFHAYSLHFN-UHFFFAOYSA-P 500.151 1.836 10 40 KDCB CCCC(=O)N[C@H]1C[C@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O 5052406 CBBJXBKRCWMSIQ-QCAFEZNYSA-N 597.617 1.987 10 40 KDCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)N=C1S 101366008 FYJLHBITUFEPJX-CEJNFTSLSA-N 538.630 1.997 10 40 KDCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)C1=O 408526843 CNFHUDXFLGJICF-NBVRZTHBSA-N 522.543 2.427 10 40 KDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3nc(C)cc(C)n3)CC2)cc1 97954834 SVBUITYHGTUERI-UHFFFAOYSA-N 536.662 1.968 10 40 KDCB O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@H](O)[C@@H]21)OCCc1ccc(O)c(O)c1 230148674 AIPGFMVNUMXXEM-KTIWIZFTSA-N 516.499 1.634 10 40 KDCB biogenic,in-vitro 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CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC 256006728 VJRAUFKOOPNFIQ-HNYZXTSSSA-N 845.892 1.626 10 40 KDCB CN1C(=O)N(C)C(=O)C2(Cc3cc(N/C=C4\C(=O)NC(=O)N(c5ccccc5)C4=O)ccc3N3CCC[C@H]32)C1=O 97967871 WSIMYBNHPVOJQW-DQYQWZCESA-N 542.552 1.827 10 40 KDCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N3CCN(C)CC3)n(C)c(=O)n4C)C2=O)cc1 408526651 CWRCHHMYHCRSGY-SDXDJHTJSA-N 519.562 1.216 10 40 KDCB COc1c(O)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC2=O 503957558 XGFMWAPENHISKM-LJWJJWQOSA-N 571.410 1.428 10 40 KDCB biogenic CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)N=C1S 101366007 FYJLHBITUFEPJX-UAEIYHETSA-N 538.630 1.997 10 40 KDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 9259795 LZFAUOBBWCQYAD-ODLFYWEKSA-N 502.483 1.895 10 40 KDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccco3)CC2)cc1 97990816 NKCRMFYBRSYGNM-XMMPIXPASA-N 555.657 1.274 10 40 KDCB O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2CNc2ccc(S(=O)(=O)O)cc2)c1 4522862 RJJSOEOZFBULGW-UHFFFAOYSA-N 507.429 1.991 10 40 KDCB COC(=O)COc1c(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 59139568 DYEDZSWTAGFEAR-UHFFFAOYSA-N 504.302 1.450 10 40 KDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)cc1 9926453 UHWHCTJXCLFWEW-HXUWFJFHSA-N 515.954 1.936 10 40 KDCB CC[C@H](C)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9236220 YUEMAVXKPJHJRD-ZWTZFDSSSA-N 507.547 1.509 10 40 KDCB CCOC(=O)/C=c1/s/c(=C/c2ccc(N(CC)Cc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1 97981647 JXNHAQIHWZRQAS-ODWNJEOJSA-N 535.666 1.968 10 40 KDCB O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O 100051019 KRZBCHWVBQOTNZ-JFZVQIRRSA-N 516.455 1.030 10 40 KDCB 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CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 100861530 OEQLHWVCAUMHTI-FEEIMYBTSA-N 529.644 1.810 10 40 KDCB COc1c(O)cc(C(=O)O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)C[C@H]2Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)cc1O 255978248 ICUQMQMFKIFGTO-PXZZGFBXSA-N 628.539 1.409 10 40 KDCB biogenic CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(\C)c3ccccn3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 104196494 CDBZKFRIEYJRAA-RABFJCFXSA-N 566.610 1.756 10 40 KDCB CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21 1534613061 OINHYXDDXJXYEG-FBLLAGFSSA-N 517.648 1.503 10 40 KDCB COC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 2341712 SJMMWQVCOCQNFQ-CCAPLTMGSA-N 515.617 1.480 10 40 KDCB CC[C@H](C)N1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O 9433906 XVXDBIZXLQJPLT-IQWKDINOSA-N 522.562 1.421 10 40 KDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1 409071894 QLDLSQAEISVELT-UHFFFAOYSA-N 528.280 1.817 10 40 KDCB CCN1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3ccc(C)cn3c2=O)SC1=S 8896462 SXYVTWSKTAZOSL-WJQTUHTMSA-N 501.590 1.092 10 40 KDCB CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 101572435 LDZMLSWJYIOGHW-IISQTQMRSA-N 551.595 1.971 10 40 KDCB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 100861921 HGLQOLIXHKMUDO-IUPCOXQMSA-N 529.644 1.871 10 40 KDCB COc1cc([C@@H](O)[C@H](O)c2cc(CN3CCOCC3)c(O)c(OC)c2)cc(CN2CCOCC2)c1O 31637380 KXGOXFFKVYMQCB-CLJLJLNGSA-N 504.580 1.546 10 40 KDCB Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)c3ccc(/N=N/c4c(N)nc(N)[nH]c4=O)cc3)cc2)c(=O)[nH]1 4878906 UNBYTCZXPDCWTG-JWTBXLROSA-N 522.511 1.846 10 40 KDCB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O 150437159 NFHCKNWFZUFPRO-IILOUJJDSA-N 847.879 1.080 10 40 KDCB COC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 8858012 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