smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccc2c(c1O)CC[C@H]1[CH][CH][C@H](O)[C@@H]([CH]1)[C@H]1[CH][C@H]([CH][CH][C@@H]1O)/C=C\c1cccc(c1)O2 238780208 JABQYKDKHDYMQG-SQVPAESXSA-N 444.527 4.289 10 1 IICF Cc1cc2c(cc1F)[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1O)NCC2 962142885 GYHUUUISLBJHSJ-HSZRJFAPSA-N 441.547 4.132 10 1 IICF Cn1nccc1-c1cncc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 103299473 URDAVWZYXJPPLN-UHFFFAOYSA-N 431.930 4.060 10 1 IICF COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2cc1OC 587276040 ICTYATLPJLFEAX-ZMOMAAQPSA-N 434.452 4.401 10 1 IICF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc3c4c(c2)CCCN4CCC3)N1 962709035 LMYXHPDQGPHVEO-WOJBJXKFSA-N 434.433 4.232 10 1 IICF COc1ccc(OC)c([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)c1 82172761 KVKDKWUPDSJELR-NLFFAJNJSA-N 432.476 4.361 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@H]1CC=C[C@H]21 587276395 LATNSDMAAUCXKB-ZKTNFTSUSA-N 436.384 4.422 10 1 IICF CCCC[C@@H](Cc1cc[nH]c1)[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356354553 MCBNINOPPJJBAL-SIKLNZKXSA-N 431.529 4.307 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587726196 VZUZZMSHATTXBH-ASSNKEHSSA-N 436.344 4.103 10 1 IICF Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169328937 IAVQPQOCLQWANY-GHVJWSGMSA-N 442.428 4.134 10 1 IICF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 82178355 DAGIKYDBSBRZGA-UHFFFAOYSA-N 428.540 4.352 10 1 IICF COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cc(Cl)ccc3O)C2)cc1 299871438 YODBWSJJWXVPEL-NRFANRHFSA-N 427.932 4.218 10 1 IICF CC(C)=CCc1cc(C[C@H](O)C(=O)c2ccc(O)c(CC=C(C)C)c2O)cc(O)c1O 2356630783 DIMIXRQTKZYRPV-QFIPXVFZSA-N 426.509 4.313 10 1 IICF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 15122014 UESFDRVOHWXYIQ-PRANAVDNSA-N 440.492 4.422 10 1 IICF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(NC4CCCC4)nc32)cc1 40936300 QFINOOZHAIOOFY-UHFFFAOYSA-N 428.544 4.332 10 1 IICF O=S(=O)(Nc1cc(CCCO)c(O)c2ccccc12)c1ccc(Br)cc1 169348357 OJGLDMMTNKAYFE-UHFFFAOYSA-N 436.327 4.034 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(Br)c2)N1 587675709 CQIPACUFLKOVOX-KWKYVRJSSA-N 431.099 4.386 10 1 IICF COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12NCCc1cc(C)c(F)cc12 962095997 ZBCXLNXBQZEMPW-VWLOTQADSA-N 435.451 4.048 10 1 IICF Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1C 962927046 DNDYIXKSHPNUAG-DEOSSOPVSA-N 431.536 4.038 10 1 IICF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 587534679 XFIIHOPPTWNIMV-AREMUKBSSA-N 428.440 4.136 10 1 IICF CCCC[C@@H](CC1=CCN=C1)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356872723 ZAXFAKYFMNJFQG-UGKGYDQZSA-N 431.529 4.137 10 1 IICF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 587534033 VAEPTYDQSMAEII-AREMUKBSSA-N 428.440 4.136 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587765830 DPAGADUJXBIBSB-JLCFBVMHSA-N 433.365 4.421 10 1 IICF Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1c(C)n(C)c2ccccc12 1857645552 YQQYWTUSEZLIHS-UHFFFAOYSA-N 430.508 4.014 10 1 IICF CC1(C)CCC[C@@](C)(O)[C@H]1Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 43069147 IEDRNKKFHHTLRT-SQJMNOBHSA-N 440.492 4.402 10 1 IICF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587770240 RQWXGLNXKWXCNA-RCDICMHDSA-N 433.365 4.421 10 1 IICF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCOCC4)c3)nc3ccc(O)c1c23 586988335 PGTOPJKMNRFDMH-UHFFFAOYSA-N 438.483 4.357 10 1 IICF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc3c4c(c2)CCCN4CCC3)N1 962709033 LMYXHPDQGPHVEO-UXHICEINSA-N 434.433 4.232 10 1 IICF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 95577314 VVYOUJKKGNZORZ-FQEVSTJZSA-N 438.355 4.351 10 1 IICF COc1ccc(CCc2cc3c(cc2O)OC(=O)C[C@H]3c2ccc(O)c(O)c2)cc1OC 14883520 SKZDIDHAXZBRFK-KRWDZBQOSA-N 436.460 4.047 10 1 IICF biogenic COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C=C(c2ccc(O)c(O)c2)Oc2cccc(O)c21 963641739 XQJGUPHKWLXGJJ-IYJVBRSBSA-N 447.487 4.032 10 1 IICF CC(C)=CCc1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@H](c1ccc(O)c(O)c1)CC2=O 38991931 FMVFFMVMWVSZRC-PMACEKPBSA-N 440.492 4.093 10 1 IICF biogenic,in-vitro COc1ccc(-n2c3c(c4c(CN(C)C)c(O)ccc42)C(=O)c2ccccc2C3=O)cc1 1663332 ZZYHQOMQXQFRSH-UHFFFAOYSA-N 426.472 4.182 10 1 IICF CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 13809135 MGZUIIZQFFAYHO-UHFFFAOYSA-N 448.519 4.062 10 1 IICF CC(C)c1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 35064982 KFDULAIMGLLMSJ-UHFFFAOYSA-N 444.582 4.242 10 1 IICF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185575 XUZFRNLDZSGJKM-UHFFFAOYSA-N 446.530 4.491 10 1 IICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)N(C)C)cc3)C2)c(OC)c1 96173025 ZBORZGYOZODLDL-GOSISDBHSA-N 426.557 4.333 10 1 IICF CCCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(O)c1 962711516 SMLPYJYJGXJCJL-HKUYNNGSSA-N 427.394 4.417 10 1 IICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 142202723 WTGXNJCQAYSVEY-YOEHRIQHSA-N 434.458 4.324 10 1 IICF CCO[C@H]1CN(c2ccc(OCC3CC3)cc2)C[C@@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772630979 ZNBCRPUUUZUWNT-ATANMQQVSA-N 438.568 4.345 10 1 IICF COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739453 GZNRSSGPGVGQCO-ZBGYOGMJSA-N 435.337 4.156 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587777030 YQVDYSAARHZASQ-YEJXKQKISA-N 435.337 4.057 10 1 IICF CC[C@@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 26166419 MQAZMXBBLMPTKM-NTKDMRAZSA-N 435.612 4.448 10 1 IICF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc(Br)cc3)c12 72176833 JFTVUTWMKJLSFJ-UHFFFAOYSA-N 429.222 4.405 10 1 IICF Cc1sc(N)nc1-c1ccc(CCN2CCN(c3cnc4ccccc4n3)CC2)cc1 98084567 FGXPTBNIFFXJBD-UHFFFAOYSA-N 430.581 4.009 10 1 IICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@@H]2C)cc1 504716782 QCFMNECCTNFCRH-XHBLTBECSA-N 436.596 4.440 10 1 IICF biogenic COc1ccc(CCNC(=S)N2CCc3cc(O)c(O)cc3[C@H]2c2ccccc2)cc1 1857560648 DMXIRCMEYVDOFH-XMMPIXPASA-N 434.561 4.171 10 1 IICF CC(=O)Oc1c(OC(C)=O)c2c3cc(O)c(O)cc3oc2c2oc3cc(O)c(O)cc3c12 1857759749 NOBAAHRLFGFAOS-UHFFFAOYSA-N 438.344 4.158 10 1 IICF Cc1cc(C)c2c(c1O)[C@@H](NCC(=O)N1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26158069 GZNKGESPXLKYIV-XMMPIXPASA-N 442.003 4.224 10 1 IICF CN(C)c1ccc(C(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 985503 CKVUHLMWHHNUOF-UHFFFAOYSA-N 426.382 4.051 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277586 YWILAVLTLMCTKZ-IMWIBFENSA-N 444.539 4.358 10 1 IICF CC(C)CN(Cc1ccc(N2CC3(CCOCC3)C2)cc1)S(=O)(=O)Cc1ccccc1 147292066 LURNAPJUGDVNQY-UHFFFAOYSA-N 442.625 4.291 10 1 IICF COc1ccc(N2CC[C@@]3(C2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc23)cc1 962963609 ZUCMVZXNSNRBPV-QHCPKHFHSA-N 432.486 4.471 10 1 IICF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C=C(c2ccc(O)c(O)c2)Oc2cccc(O)c21 963641746 XQJGUPHKWLXGJJ-RXBISOJRSA-N 447.487 4.032 10 1 IICF CC1(C)CCC[C@](C)(O)[C@H]1Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 43069150 IEDRNKKFHHTLRT-OFVILXPXSA-N 440.492 4.402 10 1 IICF biogenic Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccccc3Cl)CC1)C(C)(C)C2 26163831 USWUKLMQYPAGDT-DEOSSOPVSA-N 442.003 4.224 10 1 IICF O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCCc2ccc(O)c(O)c2O)s1 35276385 IFMDHVNLKUVJIU-UHFFFAOYSA-N 427.478 4.120 10 1 IICF COc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1 253859682 KGBITRQPRBXBFJ-MXVIHJGJSA-N 427.614 4.258 10 1 IICF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587040578 OLPKNQOJMQBJJM-INIZCTEOSA-N 435.505 4.321 10 1 IICF COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(O[C@@H]2CCOC2)c1 587927268 SFSDREFWDIJVLZ-HXUWFJFHSA-N 435.476 4.116 10 1 IICF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(Br)c2O)N1 962699022 DQZVBUPYHMZURZ-ZIAGYGMSSA-N 434.183 4.001 10 1 IICF O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1Cl 28766040 RUJULNCQXPSNRE-UHFFFAOYSA-N 427.976 4.167 10 1 IICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 73291775 WKNOYPJJHBXXPV-UHFFFAOYSA-N 427.298 4.331 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587765906 FAPRVTPFYAUCEB-PEBXRYMYSA-N 433.365 4.347 10 1 IICF Cc1sc2c(c1C)CCN[C@H]2c1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 963034344 YNPYVKYUMVEOCZ-FQEVSTJZSA-N 430.570 4.435 10 1 IICF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C2=NC(=O)CS2)c(OC)c1 1772625320 ITVCVBKKWFNUDS-IBGZPJMESA-N 447.516 4.343 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(N)c2O)N1 587684157 YHDSVGVIRRDPAM-WNWIJWBNSA-N 444.142 4.436 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587765905 FAPRVTPFYAUCEB-JLCFBVMHSA-N 433.365 4.347 10 1 IICF C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)c2ccsc2CCN1Cc1cccnc1 963012824 PPQCPIAMZXWLJZ-VWLOTQADSA-N 435.593 4.003 10 1 IICF COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3O)C[C@H]2c2ccc(O)cc2)cc1 29044411 FFTLDDJXCOXDAJ-NRFANRHFSA-N 435.505 4.360 10 1 IICF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5O)C4)cc23)ccn1 147810232 AETUZUFGOOXZDL-OAQYLSRUSA-N 441.535 4.033 10 1 IICF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)c(O)c1)O2 15122015 UESFDRVOHWXYIQ-HKGQOMTBSA-N 440.492 4.422 10 1 IICF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 586951392 ZUHOMRJLEZDMCK-UHFFFAOYSA-N 445.500 4.155 10 1 IICF COc1ccc(CCNC(=S)N2CCc3cc(O)c(O)cc3[C@@H]2c2ccccc2)cc1 1857560647 DMXIRCMEYVDOFH-DEOSSOPVSA-N 434.561 4.171 10 1 IICF CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587413112 PWFLNKVJGSYRHN-ZEQKJWHPSA-N 445.471 4.114 10 1 IICF CCCC[C@H](CNCCC)COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O 85592742 VGHMHIXWHHCMDA-PBXQCXKZSA-N 441.568 4.279 10 1 IICF biogenic,in-vitro O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(Br)c2O)cc1 103265804 NMQBYZMVKXTOKC-UHFFFAOYSA-N 440.344 4.024 10 1 IICF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 587024375 XQGHOHQDOYBRPF-UHFFFAOYSA-N 438.513 4.727 10 1 IICF COc1cc([C@H]2CC(c3ccc(O)cc3O)=NN2C(=S)Nc2ccccc2)ccc1O 40394864 ZPMBKMQFORSZLP-LJQANCHMSA-N 435.505 4.360 10 1 IICF COc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nnnn2-c2c(C)cccc2C)cc1 206052993 LNWSLXWRWMORQR-UHFFFAOYSA-N 439.523 4.371 10 3 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@H]1CC=C[C@@H]21 587272657 XGVRBTWQVLNTMX-ZETOZRRWSA-N 427.262 4.110 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823807 RRKBWAJLFYTXJH-KPWVOAKYSA-N 428.301 4.423 10 1 IICF CC(=O)Nc1ccc(O)c([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)c2ccncc2)c1 653806237 HLVSOUDQJICPQZ-NRFANRHFSA-N 434.883 4.391 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587724033 DJMDERCPXRQVMK-ASSNKEHSSA-N 436.344 4.103 10 1 IICF CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(N(C)C)cc1 1857756492 SHALEQVOWMOSHS-UHFFFAOYSA-N 443.613 4.449 10 1 IICF COc1ccc2c(c1)[C@@]1(C(=O)Nc3cc(N(C)C)ccc31)N(Cc1ccc(F)cc1)CC2 963305261 WJMXWPCTWWGJEW-SANMLTNESA-N 431.511 4.154 10 1 IICF COc1ccc(O)c(C/N=N/c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)c1 169692345 WJHRAIUYEWVWOK-WEMUOSSPSA-N 430.472 4.416 10 1 IICF O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cc(CN2CCCC2)c(O)c2ncccc12 1857639959 MERWYQIVBMVMOU-UHFFFAOYSA-N 443.469 4.414 10 1 IICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)s1 72123009 YGVPDIDEDUMPRY-UHFFFAOYSA-N 434.521 4.124 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587726197 VZUZZMSHATTXBH-LRTDBIEQSA-N 436.344 4.103 10 1 IICF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21c2ccc(F)cc2C[C@@H]2CCCN21 963100689 IUSSVSDQPAGGMI-SOKVYYICSA-N 445.490 4.411 10 1 IICF O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2O)N(c2ccccc2)O3)cc1 169728050 AEUGEDYPAHZHGE-FQEVSTJZSA-N 430.416 4.196 10 1 IICF O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 205124398 OLUIMQCHQGZNMM-UHFFFAOYSA-N 439.400 4.034 10 1 IICF COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1 220238101 OPHAPZIKCGUXLJ-GOSISDBHSA-N 428.504 4.326 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 587769252 NUCANTXZUGXMHM-ZDUSSCGKSA-N 433.321 4.347 10 1 IICF CC(C)c1cc2c(c(O)c1O)[C@@]1(c3nnc([C@H](C)NCO)o3)CCCC(C)(C)[C@@H]1CC2 1857595622 RBPXDDKOZBAQRF-ZSCHSRKISA-N 429.561 4.263 10 1 IICF Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cc(F)cc2n1 64560029 HRWBYOOBXRZGGR-UHFFFAOYSA-N 444.554 4.207 10 1 IICF COc1cc(CCC(=O)C[C@@H](O)CCc2cc(O)c(O)c(OC3CCCC3)c2)ccc1O 2356779817 GBPNBBGHYQKUNQ-IBGZPJMESA-N 444.524 4.019 10 1 IICF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1c(O)c(O)cc(OS(=O)(=O)O)c1O 38562468 FSCNWLOPXBALPS-AVBTWRTFSA-N 426.531 4.326 10 1 IICF biogenic CCCCCC(=O)N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(SC)c(=O)cc21 1628474 DUAFXJAIKLLICE-INIZCTEOSA-N 429.538 4.236 10 1 IICF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761986 IOULJEZUMMLQPF-PGRDOPGGSA-N 447.457 4.494 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 2356583030 GYIONMZTLLZEIS-FIXSFTCYSA-N 440.540 4.089 10 1 IICF COc1cccc(CN2CCC[C@@H]2[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1O 28564730 ROZPFCVQFHWPAO-JWQCQUIFSA-N 448.607 4.490 10 1 IICF COC(=O)CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26844658 PYBMLWLHMBPDNY-UHFFFAOYSA-N 435.505 4.436 10 1 IICF CCCC[C@H](Cc1cc[nH]c1)[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356354551 MCBNINOPPJJBAL-DENIHFKCSA-N 431.529 4.307 10 1 IICF O=C(O)c1ccccc1NC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 1857630053 HCEKPAXQEBIPGP-UHFFFAOYSA-N 443.484 4.046 10 1 IICF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 14709989 IYLWUGSBDUOIDL-CDMIOBSGSA-N 438.542 4.433 10 1 IICF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(Br)cc2O)N1 587680127 SLZWAODKEKKRAP-VGDKGRGNSA-N 431.099 4.386 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735144 WLTDXPDBKZVMOE-DGIBIBHMSA-N 426.257 4.076 10 1 IICF COc1ccc(CNC[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 40847304 XRQGLMKDHXEOLH-XMMPIXPASA-N 432.564 4.178 10 1 IICF COc1ccc(OC)c([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)c1 82171286 KVKDKWUPDSJELR-NBGIEHNGSA-N 432.476 4.361 10 1 IICF O=C1c2ccccc2-c2cc([C@@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3ccc(O)c1c23 586987363 NRENVOCKRSGPRY-OAQYLSRUSA-N 436.379 4.223 10 1 IICF O=C(Nc1ccc(CC[S@@](=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccc(F)cc1 1857761839 YMTPZXQXVZPHEK-NBIVFMIFSA-N 425.481 4.451 10 1 IICF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 14710000 IYLWUGSBDUOIDL-TVTNDZMWSA-N 438.542 4.433 10 1 IICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCCCC3)cc2n1CC(F)(F)F 220052521 OLPZOSSDIKGRBX-UHFFFAOYSA-N 427.430 4.492 10 1 IICF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCO)CCc2ccccc2)c1 13863525 RLEJHLSMYJWTRJ-ZQHSETAFSA-N 439.951 4.060 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(N)c2O)N1 587679660 NCPOCCQVIDJLRN-RBHXEPJQSA-N 444.142 4.436 10 1 IICF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587228229 KELIRJDBPIVGQD-UHFFFAOYSA-N 445.479 4.436 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(Br)cc2O)N1 587677656 LCLVILVPDKOECP-VGDKGRGNSA-N 431.099 4.386 10 1 IICF N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1 586997738 SLAMXGAXCDEERV-QGZVFWFLSA-N 446.304 4.343 10 1 IICF O=C(Nc1ccc(CCS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1)C1CCCCC1 1857646094 BKCOSSKSFZVQIC-FYWRMAATSA-N 429.538 4.245 10 1 IICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)O2 587396886 WUDKFJOMOSCAHU-MHECFPHRSA-N 433.552 4.004 10 1 IICF COc1ccc2c(c1OC)[C@@](C)(c1ccc(N(C)C)cc1)N(C(=O)c1ccccc1N)CC2 963157427 LQRCTQXAYYTOQE-HHHXNRCGSA-N 445.563 4.314 10 1 IICF COc1ccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)no2)cc1 71281408 RLZYEROKZLONOK-QFIPXVFZSA-N 440.459 4.442 10 1 IICF CCCC[C@@H](Cc1cc[nH]c1)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356354554 MCBNINOPPJJBAL-UGKGYDQZSA-N 431.529 4.307 10 1 IICF Nc1ccc(NC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc3c(c2)OCO3)cc1 29038483 ZXNFACJZSMSYCK-UHFFFAOYSA-N 439.431 4.243 10 1 IICF CCCNC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 113901509 VFKLOYRVHZIMAJ-UHFFFAOYSA-N 428.529 4.064 10 1 IICF CCO[C@@H]1CN(c2ccc(OCC3CC3)cc2)C[C@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772630980 ZNBCRPUUUZUWNT-FMLDBKJISA-N 438.568 4.345 10 1 IICF O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(Nc4ccc5c(c4)OCO5)c1c23 3741997 LHHCZPLZVBZFGU-UHFFFAOYSA-N 441.443 4.348 10 1 IICF Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3c(O)cccc3F)s2)cn1 71341426 PTUVLVDEOIATPZ-SFHVURJKSA-N 447.495 4.380 10 1 IICF C[C@@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 140293201 SWQYHJQOVFWSLJ-NYFKNOIKSA-N 438.542 4.433 10 1 IICF CN(C)S(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587080301 LXKPENFRCQEMKD-MDOVXXIYSA-N 428.945 4.293 10 1 IICF Cc1ccc(C)n1-c1cc(C(=O)N2CCC=C(c3cccc(C(=O)O)c3)C2)ccc1C(=O)O 220973000 FKUTZDZQMWODPU-UHFFFAOYSA-N 444.487 4.420 10 1 IICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@H]43)C[C@@H]2C)cc1 504716774 QCFMNECCTNFCRH-FJXTYPEWSA-N 436.596 4.440 10 1 IICF biogenic Cc1cc(N(C)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c([N+](=O)[O-])cc1F 587136992 NOCNZXZVVDGCIG-UHFFFAOYSA-N 444.422 4.330 10 1 IICF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 587484308 SNOUOGUXQQOTCN-UIOOFZCWSA-N 446.455 4.477 10 1 IICF N[C@@H](N=O)c1ccccc1CN(Cc1ccccc1[C@@H](N)N=O)c1ccc([C@H](N)N=O)cc1 957680135 SWJZQDFOQGKWEC-VJBWXMMDSA-N 447.499 4.065 10 1 IICF O=C(/C=C/c1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 43202580 ZDOVLZCOVCNVDR-DUXPYHPUSA-N 433.213 4.417 10 1 IICF Cc1cc2c(cc1C)-c1oc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c1C(=O)C2=O 1857630705 YHVJSZFMJSQHCI-UHFFFAOYSA-N 446.478 4.352 10 1 IICF COc1ccc(CCc2cc3c(cc2O)OC(=O)C[C@@H]3c2ccc(O)c(O)c2)cc1OC 14883518 SKZDIDHAXZBRFK-QGZVFWFLSA-N 436.460 4.047 10 1 IICF biogenic COc1cc2c(cc1OC)[C@@](C)(c1c(O)c(OC)c3occc3c1OC)N(C)[C@H](C)C2 962642682 WHMYBAYBCICPSN-OZAJXLCCSA-N 427.497 4.313 10 1 IICF C[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)Cc2ccc(F)cc2C(=O)O1 587174960 UBFGBKIUHKNTLN-RUZDIDTESA-N 426.403 4.106 10 1 IICF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccccc1 253673073 CGZQOOMOYSCWDN-HXUWFJFHSA-N 428.448 4.231 10 1 IICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963112446 SVDOWHTWEPLPTE-NCDVJINYSA-N 449.478 4.436 10 1 IICF O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 40409654 KSMJXTXIJMOCFN-QFIPXVFZSA-N 429.432 4.133 10 1 IICF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccccc3)C2)cc1Cl 73162491 BSNCDKNIUDDFSG-NRFANRHFSA-N 441.940 4.357 10 1 IICF Oc1ccc(Br)c2c1CN[C@@H](CN1CCC3(CCc4ccccc43)CC1)C2 35951752 NRBKSEMIVLUNEF-QGZVFWFLSA-N 427.386 4.149 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(N)c2O)N1 587684155 YHDSVGVIRRDPAM-RBHXEPJQSA-N 444.142 4.436 10 1 IICF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21c2ccc(F)cc2C[C@H]2CCCN21 963100691 IUSSVSDQPAGGMI-XGCWNURASA-N 445.490 4.411 10 1 IICF COc1cc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)ccc1NS(C)(=O)=O 169324002 GGDLNHMDUXDBTH-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CC1=NN(c2ccccc2)C(=O)C1=C(Br)[C@@H]1C(=O)N(c2ccccc2)N=C1C 2356776237 RMYWIKONPQRBGB-QGZVFWFLSA-N 437.297 4.097 10 1 IICF CNc1ccc2c3c(n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1)-c1ccccc1C3=O 95555247 SLOUGFMBGAQOBU-UHFFFAOYSA-N 433.508 4.169 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(Br)c2)N1 587679753 SFEJAEXQQORUDG-KWKYVRJSSA-N 431.099 4.386 10 1 IICF CCCCNC[C@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 653717460 KWZHLUZHNBGVJW-NMWDDECMSA-N 430.552 4.198 10 1 IICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1N(C)C 73385875 LIRXUXWLKQNRIW-UHFFFAOYSA-N 425.916 4.288 10 1 IICF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)/N=N\c1c(O)[nH]c2ccccc12)c1ccccc1 101854031 CGZQOOMOYSCWDN-READERTPSA-N 428.448 4.231 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823964 SQSMMMCCNMPFBU-SAHAZLINSA-N 428.301 4.423 10 1 IICF Brc1ccc2c(c1)Oc1cc(Br)ccc1N2CCc1nn[nH]n1 621431865 UFZPXDZZVYQYIG-UHFFFAOYSA-N 437.095 4.211 10 1 IICF CC1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2cc(Br)ccc2O)C1 653745788 VHNZQWJFNPKGPM-HNNXBMFYSA-N 429.723 4.320 10 1 IICF COc1cc(-c2nc3ccccc3[nH]2)c2c(c1O)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1772590611 OUVZRCZQHSQLQN-OAQYLSRUSA-N 441.487 4.328 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 587771157 VVQGDXFNSNPMLM-CYBMUJFWSA-N 433.321 4.347 10 1 IICF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccc(N)cc2)n1 1857647008 JUIFJZHSTLKWMT-UHFFFAOYSA-N 440.935 4.009 10 1 IICF Cc1c(CC(=O)NC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 299855369 AXRBUGMLYYRUEI-UHFFFAOYSA-N 428.529 4.062 10 1 IICF CCN(CC)Cc1cc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)ccc1O 29204979 AFAJAHBRZUZVCQ-UHFFFAOYSA-N 434.588 4.429 10 1 IICF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(O)c1 962627500 GLDCZTOICUUGGT-FDDCHVKYSA-N 443.421 4.490 10 1 IICF CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccc(Br)cc3)=NC2=O)o1 28816679 PYTOWNVOGRPQLH-AVIKPIRVSA-N 449.326 4.380 10 1 IICF CC(=O)NCCCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149934983 XRRAQHCZAZRVMA-IBGZPJMESA-N 449.595 4.173 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587770723 STLXLOYTPRVJEJ-PEBXRYMYSA-N 433.365 4.347 10 1 IICF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(ccc(O)c2O)[C@H]1CN1CCCC1 26816779 RTZDYSUUDJFBTF-LJQANCHMSA-N 435.351 4.169 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587766211 MOUWGAQIVRZNNW-IVZQSRNASA-N 432.381 4.138 10 1 IICF Cc1cc2c(n1-c1cccc(C(=O)O)c1)CC(C)(C)C[C@]21NCCc2nc3ccccn3c21 962990718 TUBSFJOBWDKOQC-MHZLTWQESA-N 440.547 4.493 10 1 IICF C[C@@H]1CC=C2[C@H](CCCC2(C)C)[C@@]1(C)Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 14710012 SWQYHJQOVFWSLJ-BUTRMIIQSA-N 438.542 4.433 10 1 IICF biogenic C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)c2ccsc2CCN1Cc1cccnc1 963012821 PPQCPIAMZXWLJZ-RUZDIDTESA-N 435.593 4.003 10 1 IICF CCN(CC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 95576840 UBCZXHSQAKQJEQ-UHFFFAOYSA-N 429.564 4.249 10 1 IICF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586940754 FGETVSCYIXJWAI-OUKQBFOZSA-N 434.521 4.336 10 1 IICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C[C@]21c2c(F)cccc2C[C@H]2CCCN21 963112441 SVDOWHTWEPLPTE-KDLRFSOSSA-N 449.478 4.436 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2O)N1 587679244 QGKLJKGEGUDDFC-KWKYVRJSSA-N 431.099 4.386 10 1 IICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12 26839616 NDYSUFRPTCFZPO-UHFFFAOYSA-N 438.465 4.420 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587724035 DJMDERCPXRQVMK-YEJXKQKISA-N 436.344 4.103 10 1 IICF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccccc3Cl)CC1)C(C)(C)C2 26163838 USWUKLMQYPAGDT-XMMPIXPASA-N 442.003 4.224 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587726159 VJZFLSORLYCLNM-LRTDBIEQSA-N 437.328 4.362 10 1 IICF CCO[C@H]1CN(c2ccc(OCC3CC3)cc2)C[C@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772630982 ZNBCRPUUUZUWNT-LGIRGXTLSA-N 438.568 4.345 10 1 IICF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)NC(CO)=C2O)[C@H]1C=CC=CC[C@@H](C)O 2356453502 AJDLKWSYDPWRCH-PXMCOYMDSA-N 443.584 4.208 10 1 IICF CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587413107 PWFLNKVJGSYRHN-JYFHCDHNSA-N 445.471 4.114 10 1 IICF CC(=O)N(C)c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 26844528 GTPMGZXKVAHSPF-UHFFFAOYSA-N 434.521 4.486 10 1 IICF CCc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)s1 72123010 LTNUUZSTSPYTIH-UHFFFAOYSA-N 448.548 4.378 10 1 IICF CC(C)CN([C@@H](C)c1ccc(N2CCC(O)CC2)cc1)S(=O)(=O)Cc1ccccc1 224309454 AUAODSAZFFZHAF-FQEVSTJZSA-N 430.614 4.197 10 1 IICF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586948020 BHIFWWNPAGSQJL-UHFFFAOYSA-N 439.337 4.345 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587770719 STLXLOYTPRVJEJ-FPTDNZKUSA-N 433.365 4.347 10 1 IICF C[C@H](NC(=O)c1ccnnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149929622 VWKIMWNVPRTYQI-SFHVURJKSA-N 428.536 4.360 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823959 SQSMMMCCNMPFBU-KPWVOAKYSA-N 428.301 4.423 10 1 IICF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCO)Cc2ccccc2)c1 18067513 CCUNZALZUAILKH-BYYHNAKLSA-N 425.924 4.017 10 1 IICF CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 26166429 MQAZMXBBLMPTKM-DVECYGJZSA-N 435.612 4.448 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823962 SQSMMMCCNMPFBU-RKFFSXRUSA-N 428.301 4.423 10 1 IICF O=C(O)CNC(=O)c1ccc(NC(=S)Nc2c3ccccc3nc3ccccc23)cc1 96928652 FTOLWZGKXWECMO-UHFFFAOYSA-N 430.489 4.011 10 1 IICF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 587344057 FJBHNOMSYXWWJJ-HYBUGGRVSA-N 434.423 4.402 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735143 WLTDXPDBKZVMOE-APBUJDDRSA-N 426.257 4.076 10 1 IICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)O2 587396883 WUDKFJOMOSCAHU-KOSHJBKYSA-N 433.552 4.004 10 1 IICF CCN1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767005 PWWVFLXXSSGPTO-OYHNWAKOSA-N 432.381 4.354 10 1 IICF O=C(CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CCc1ccc(O)c(O)c1 1772642117 SNKTVZYLNSRUQG-UHFFFAOYSA-N 434.448 4.393 10 1 IICF Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1 64573276 UUWQIBYZFVEIMA-NRFANRHFSA-N 440.591 4.457 10 1 IICF CCCS(=O)(=O)CCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 1857552704 KOURFNDTLOGJGB-UHFFFAOYSA-N 445.606 4.224 10 1 IICF COc1ccc2nc3cc(Cl)ccc3c(NCCCCn3cnc([N+](=O)[O-])n3)c2c1 73168707 JJORRMKINKWIIJ-UHFFFAOYSA-N 426.864 4.442 10 1 IICF O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 28870615 CJRCDELEMCPVQN-UHFFFAOYSA-N 444.925 4.398 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587766216 MOUWGAQIVRZNNW-OYHNWAKOSA-N 432.381 4.138 10 1 IICF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO 95877904 UKXONICFEWMAGM-TUSQITKMSA-N 438.593 4.207 10 1 IICF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587820476 DLUQZHOUZAKNBZ-QKVFXAPYSA-N 436.321 4.499 10 1 IICF O=C1/C(=C/c2ccc(-c3nn[nH]n3)cc2)SC(=S)N1Cc1cccc(C(F)(F)F)c1 1911582224 PFSUCLBTINMLSB-DHDCSXOGSA-N 447.467 4.287 10 1 IICF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 14709997 IYLWUGSBDUOIDL-RADWXHQJSA-N 438.542 4.433 10 1 IICF biogenic COc1cc(OC[C@@H]2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1 148037153 RRHHMGHXZSDAFW-YJBOKZPZSA-N 446.494 4.194 10 1 IICF Cc1cccc(-c2nnc(CN3C(=O)/C(=C/c4ccc(C(=O)O)cc4)SC3=S)o2)c1 103265660 DWWVHTCTQVOEOW-YBEGLDIGSA-N 437.502 4.145 10 1 IICF CN(CCO)c1ccc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1 961772203 BKCACKYDTJCJRR-XMMPIXPASA-N 437.584 4.356 10 1 IICF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426984 BUESNWPDXJJZNU-QUGAMOGWSA-N 426.472 4.014 10 1 IICF COc1c(Cl)c(C)cc2cc(O)c3c(c12)C(=O)c1cc2c(c(O)c1C3=O)[C@@H](C)OC2=O 28973510 RSSUHOCYQSARQQ-MRVPVSSYSA-N 438.819 4.228 10 1 IICF biogenic,in-vivo COc1cc(N2CCOCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587774520 OFKOVATXIAJKOK-LRTDBIEQSA-N 435.337 4.057 10 1 IICF COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCCC3)c2)ccc1O 85625592 GBPNBBGHYQKUNQ-LJQANCHMSA-N 444.524 4.019 10 1 IICF biogenic,in-vitro C[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C=C(c2ccccc2F)NO1 587158347 WPGAKHWRIFDIMC-RUZDIDTESA-N 425.419 4.269 10 1 IICF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO 95877902 UKXONICFEWMAGM-IEZKXTBUSA-N 438.593 4.207 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c21 587040665 ISTAJZNVPPFRJK-PMACEKPBSA-N 425.513 4.285 10 1 IICF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)c(OC)c1OC 35013076 PETDZKZTNGLKHQ-HXUWFJFHSA-N 447.491 4.113 10 1 IICF CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(O)cc2O)NC(NCc2ccccc2)=N1 49068098 MTMATWPRRFOMBX-DEOSSOPVSA-N 442.519 4.109 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(O)c2Br)N1 587681895 YGRFRDKPIXMQCO-QZTNRIJFSA-N 431.099 4.386 10 1 IICF COc1ccc(-n2cnc3cc(NCc4ccc(CN5CCN(C)CC5)cc4)ccc32)cc1 95582533 DZWCFPPLSDCFPY-UHFFFAOYSA-N 441.579 4.394 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(O)c2Br)N1 587681892 YGRFRDKPIXMQCO-GYKQLYQFSA-N 431.099 4.386 10 1 IICF CC(C)(C)OC(=O)NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 95556345 VEYCNPRQAZNKGT-UHFFFAOYSA-N 449.463 4.036 10 1 IICF COc1ccc2c(c1OC)[C@@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)N(C)[C@@H](C)C2 962622236 BHTVFWJHPNIUJX-UWGWWWOYSA-N 448.563 4.382 10 1 IICF Cc1cc(C)c(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c(C)c1 26165743 TYUQHNIMJBIIDX-HHHXNRCGSA-N 449.639 4.496 10 1 IICF Nc1c(S(=O)(=O)O)cc(Nc2ccc3ccccc3c2)c2c1C(=O)c1ccccc1C2=O 45367069 OBFXQXZEZLZKTE-UHFFFAOYSA-N 444.468 4.188 10 1 IICF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)c(O)cc(O)c12 587534681 XFIIHOPPTWNIMV-SANMLTNESA-N 428.440 4.136 10 1 IICF COc1ccc([C@H]2C[C@@]3(NCCc4cc(C)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O 962150224 YDBJISSASLVWGV-NOZRDPDXSA-N 437.467 4.173 10 1 IICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)Cc4cccnc4)cc3)C2)cc1 142173519 CKAYEBWIIHUKRZ-IBGZPJMESA-N 431.536 4.168 10 1 IICF Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)cn1 71332139 IUFHFMCUUCDKCE-LJQANCHMSA-N 429.505 4.241 10 1 IICF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(OCC3CC3)c2)SC1=S 96929833 OSJGOOKZFWKZOJ-KYYPIKSYSA-N 439.558 4.373 10 1 IICF COc1ccc([C@H](NC(=O)COc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 40891738 VFNLOGJXHYZRPQ-QFIPXVFZSA-N 449.894 4.282 10 1 IICF COc1cc2c(cc1OC)[C@@](C)(c1c(O)c(OC)c3occc3c1OC)N(C)[C@@H](C)C2 962642691 WHMYBAYBCICPSN-RZFZLAGVSA-N 427.497 4.313 10 1 IICF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)cc(Cl)c1O 10450383 JFLQMDPTNQTVSJ-VIFPVBQESA-N 438.716 4.016 10 1 IICF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587117214 QPHNMNSDZIUGKX-UHFFFAOYSA-N 430.773 4.411 10 1 IICF CN(CCO)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 587192882 IILHUOGSFIZQBA-UHFFFAOYSA-N 430.224 4.320 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(Br)c2)N1 587675712 CQIPACUFLKOVOX-ZIDLFYJRSA-N 431.099 4.386 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587777031 YQVDYSAARHZASQ-ZSEKCTLFSA-N 435.337 4.057 10 1 IICF COc1cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)ccc1NS(C)(=O)=O 28003742 IBXOJZIRVBBRLG-UHFFFAOYSA-N 438.465 4.420 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2O)N1 587679253 QGKLJKGEGUDDFC-ZIDLFYJRSA-N 431.099 4.386 10 1 IICF Cn1cc2c3c(cnc(O)c31)-c1cc(CS(C)(=O)=O)ccc1N(c1ccc(F)cc1)C2 1857759002 QGTJNNMFLDHNQH-UHFFFAOYSA-N 437.496 4.281 10 1 IICF O=c1oc(-c2ccc(-n3ccnc3)c(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O 28603966 PLLBMGUUHCVCFL-UHFFFAOYSA-N 436.777 4.115 10 1 IICF COc1ccc(N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 9611553 OVRXLSPLKPBMHE-UHFFFAOYSA-N 441.535 4.008 10 1 IICF COc1ccc(N2CC(c3ccc([N+](=O)[O-])cc3)=[N+]([O-])[C@@H]2c2ccc(N(C)C)cc2)cc1 101116345 JMGRHSLEUYSYHW-XMMPIXPASA-N 432.480 4.188 10 1 IICF CN(C)C(=O)c1nc(-c2ccc(N3CCNCC3)cc2)sc1-c1cc2ccccc2o1 2356861746 UMTLULRIWDACNW-UHFFFAOYSA-N 432.549 4.335 10 1 IICF COc1ccc2c(c1OC)[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)N(C)[C@@H](C)C2 962561564 DGVWBAJGANAGMX-BTDLBPIBSA-N 437.290 4.046 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735163 WTHNYRYIIZAICX-APBUJDDRSA-N 426.257 4.076 10 1 IICF CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 587412750 OFYYNVOQAMARJU-UIOOFZCWSA-N 445.471 4.271 10 1 IICF CCOc1ccc(C=CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1OC 1857590467 RBSRLSNLDOCVBG-UHFFFAOYSA-N 447.535 4.439 10 1 IICF O=NCc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 169718341 WMMPFCPGWJRXLU-UHFFFAOYSA-N 434.540 4.350 10 1 IICF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cc2c(cc1O)OCO2 963853996 LIQIXTZZYZNEPM-IVZQSRNASA-N 441.480 4.155 10 1 IICF Cn1ccc2ccc(-c3cc(Nc4ccccc4S(N)(=O)=O)cc4nccnc34)cc21 1857593405 LOFFFFYZOXJZCW-UHFFFAOYSA-N 429.505 4.180 10 1 IICF Cc1noc(C)c1S(=O)(=O)Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12 13879129 XKYBPHWVOXMRHI-UHFFFAOYSA-N 446.868 4.225 10 3 IICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(Br)c1 587540676 QENNWAYRZVYLLM-OXQOHEQNSA-N 429.222 4.269 10 1 IICF O=C(CSc1nc2ccsc2c(=O)n1CCc1ccccc1)c1ccc(O)c(O)c1 2909108 NCELALHVZXFBEX-UHFFFAOYSA-N 438.530 4.087 10 1 IICF COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12 26841872 XGPDPHHZIFRVCA-UHFFFAOYSA-N 438.465 4.420 10 1 IICF Cc1c(F)ccc2c1[C@]1(NCC2)C(C(=O)O)=CN(C)c2cc(N3CCCCC3)c(F)cc21 962096004 ZFWBGCVDWQURCJ-RUZDIDTESA-N 439.506 4.071 10 1 IICF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2Cl)cc1 1857613657 DCYOTRPNYFUATD-ZWKOTPCHSA-N 425.882 4.044 10 1 IICF CCCN(CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc(O)c(O)cc2C1 28964177 BTNRAFHTPKZOBC-RUZDIDTESA-N 437.628 4.270 10 1 IICF O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)Nc1ccon1 103280424 GOACLRZALXVPDR-DHDCSXOGSA-N 445.909 4.428 10 1 IICF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587232821 CPXQARZRTVWAOD-RDJZCZTQSA-N 431.492 4.499 10 1 IICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)OCO3)CC2 587583477 SHQGODVZWJAFJX-JOCHJYFZSA-N 431.444 4.122 10 1 IICF CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2C1 40918882 QMOOEOSSTJGORU-UHFFFAOYSA-N 440.594 4.308 10 1 IICF O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cocn2)cc1 147003460 IMYJPUGGLYFQDO-UHFFFAOYSA-N 439.880 4.422 10 1 IICF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)NC(CO)=C2O)[C@H]1C=CC=CC[C@H](C)O 2356453501 AJDLKWSYDPWRCH-OSPKRMDCSA-N 443.584 4.208 10 1 IICF O=C(O)c1ccccc1C(=O)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28468031 VWRZYKPEJGVWKP-WEVVVXLNSA-N 427.412 4.451 10 1 IICF Cc1c(F)ccc2c1[C@@]1(NCC2)c2c(O)cccc2Oc2cc3c(c(O)c21)[C@@H]1C=CO[C@@H]1O3 962372851 IAQQXETWCPHDJE-RIJACFPQSA-N 445.446 4.435 10 1 IICF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181534 LRGCDMOOHLNEAP-UHFFFAOYSA-N 446.530 4.491 10 1 IICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1OC 587277275 RUZYAYXEBJMIBZ-CKFHNAJUSA-N 434.452 4.401 10 1 IICF CCOC(=O)c1ccc(O)c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962958913 QHYPZRGZKQMRRI-FQEVSTJZSA-N 435.442 4.329 10 1 IICF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(Br)c2O)N1 962699020 DQZVBUPYHMZURZ-KGLIPLIRSA-N 434.183 4.001 10 1 IICF [N-]=[N+]=NCc1nnc(-c2cc(S(N)(=O)=O)c(SCc3ccccc3)cc2Cl)o1 1772622515 FOTBPGKLEHRJPM-UHFFFAOYSA-N 436.906 4.140 10 1 IICF C[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)Cc2ccc(F)cc2C(=O)O1 587174961 UBFGBKIUHKNTLN-VWLOTQADSA-N 426.403 4.106 10 1 IICF CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O)cc(O)c1O 2356444666 DAQRMDJZDUGKIX-JWQCQUIFSA-N 440.492 4.422 10 1 IICF COc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1OC 1344144 KSTZOSOCOJYMGX-UHFFFAOYSA-N 438.465 4.140 10 3 IICF Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1 169330547 KEYSQYAWKMFCON-GHVJWSGMSA-N 438.465 4.303 10 1 IICF COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)no2)c1 71282297 RISYHKUHNQHYMW-QFIPXVFZSA-N 440.459 4.442 10 1 IICF CN(CCO)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 587192823 FOWPGIUXLYJIBM-UHFFFAOYSA-N 430.224 4.320 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(Br)cc2O)N1 587680124 SLZWAODKEKKRAP-GYKQLYQFSA-N 431.099 4.386 10 1 IICF N[C@@H](N=O)c1ccc(N(Cc2ccccc2[C@H](N)N=O)Cc2ccccc2[C@H](N)N=O)cc1 957680136 SWJZQDFOQGKWEC-YTFSRNRJSA-N 447.499 4.065 10 1 IICF COC(=O)c1cccc(N2N=C(C)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 40934214 NHDCRULUJVBCFX-MOSHPQCFSA-N 430.416 4.238 10 1 IICF Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@H](C)C3)cccc2n1 64560061 UUWQIBYZFVEIMA-OAQYLSRUSA-N 440.591 4.457 10 1 IICF O=C1c2ccccc2-c2cc([C@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3ccc(O)c1c23 586987362 NRENVOCKRSGPRY-NRFANRHFSA-N 436.379 4.223 10 1 IICF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)cc2)(c2ccc(O)cc2O)N1 963228431 RSRLJAJJDXXBKH-WIOPSUGQSA-N 446.890 4.190 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nc(-c4cccnc4)no3)[nH]c21 586966719 JXRLDACZQSMZHA-UHFFFAOYSA-N 439.456 4.076 10 1 IICF O=C1c2cccc(Sc3ncccn3)c2C(=O)c2cccc(Sc3ncccn3)c21 13558873 KGRRARVNOWUUPM-UHFFFAOYSA-N 428.498 4.344 10 1 IICF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1N)C(=O)c1ccccc1C3=O)N(C)[C@@H](C)C2 962638356 PPFIDWAMFZUPOC-HWRSSNJWSA-N 442.515 4.027 10 1 IICF CCCc1c(O)ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1O 962926913 OEORUFXUPBLMNK-NVQXNPDNSA-N 449.503 4.411 10 1 IICF COC(=O)c1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587754860 NIBJZCLJYLYRMV-NSPYISDASA-N 431.305 4.490 10 1 IICF CCCCCC(=O)c1c(OC)cc2c(c1OC)C(=O)c1c(OC)cc(OC)cc1C2=O 218768356 LRCZQEWSNZAYRD-UHFFFAOYSA-N 426.465 4.259 10 1 IICF CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587277185 QFRVWLIEYGMXJE-GCKMJXCFSA-N 438.509 4.400 10 1 IICF COc1ccc(CCNC[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 40422577 PGFSLUFAZXXCPT-VWLOTQADSA-N 446.591 4.220 10 1 IICF COc1cc(Br)ccc1C(=O)C(=O)c1ccc(Br)cc1OC 40834788 NLPGZVNCEWXSMN-UHFFFAOYSA-N 428.076 4.294 10 1 IICF Cc1cccc2c1cc(C(=O)NCc1ccc(N(C)C)cc1)n2Cc1cccc(C(=N)N)c1 13474312 PRIRHEBPAJTNLS-UHFFFAOYSA-N 439.563 4.278 10 1 IICF O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ncco2)cc1 166307986 OLLLBFLZPMAKMH-UHFFFAOYSA-N 439.880 4.422 10 1 IICF CN(C)c1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2C(N)=S)c2ccccc12 261169313 SOWJUQGPRPFNAI-NRFANRHFSA-N 432.549 4.072 10 1 IICF CC(=O)Nc1ccc([C@H](C)/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 169690294 QVKCPOVFXRPWTN-OOEOAJENSA-N 446.515 4.255 10 1 IICF COC1=CC=Cc2cc(OC)c(OC)c(O)c2[C@@]12c1cc(OC)ccc1CCN2C(C)C 962093012 OZROMTXMAXAXBI-AREMUKBSSA-N 437.536 4.485 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)cc2O)N1 587678566 OGURDUBMKTXIES-QZTNRIJFSA-N 431.099 4.386 10 1 IICF CC(C)(CO)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 113623921 VHPZLUWLYYVGFU-UHFFFAOYSA-N 444.940 4.037 10 1 IICF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(Br)c2O)N1 962699021 DQZVBUPYHMZURZ-UONOGXRCSA-N 434.183 4.001 10 1 IICF COC(=O)c1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c(F)c1Nc1ccccc1 587192859 HAVAGAQGQXZOCC-UHFFFAOYSA-N 434.471 4.328 10 1 IICF c1nc(NCC2CC2)c2nc(-c3ccc(N4CCCC4)cc3)n(CCN3CCCCC3)c2n1 82180338 NIEVDTGKEDJNTG-UHFFFAOYSA-N 445.615 4.401 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277585 YWILAVLTLMCTKZ-IECBHUPTSA-N 444.539 4.358 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 2356583031 GYIONMZTLLZEIS-GPXNEJASSA-N 440.540 4.089 10 1 IICF CC(=O)Nc1ccc([C@@H](C)/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 169690293 QVKCPOVFXRPWTN-VLLOUWKNSA-N 446.515 4.255 10 1 IICF COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(O)cc1 29044408 CHTBUJDZXVYAAY-FQEVSTJZSA-N 435.505 4.360 10 1 IICF O=C(CCc1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58576034 XDGIFSOAQWIUBJ-UHFFFAOYSA-N 435.229 4.336 10 1 IICF COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(O[C@@H]2CCOC2)c1 587926027 JSXCGXXNPHUUFV-QGZVFWFLSA-N 441.505 4.177 10 1 IICF COc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1O 12584424 YRPXYONMHMSWGC-UHFFFAOYSA-N 448.567 4.396 10 3 IICF CC(C)c1ccc(S(=O)(=O)c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219735559 VNJKGXYIIVABTB-UHFFFAOYSA-N 448.525 4.423 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587742557 ARKHJYUOAFVGSW-WLRWDXFRSA-N 430.281 4.023 10 1 IICF O=C(O)COc1ccc(Br)cc1C/N=N\c1nncc(-c2ccccc2)n1 169719766 JFJFFXZVMBZBDI-ATJXCDBQSA-N 428.246 4.048 10 1 IICF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)c(O)c1)CC3=O)C[C@H](C(C)(C)O)O2 34706361 GHPCQDAMKFOYPM-VQTJNVASSA-N 440.492 4.093 10 1 IICF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587726160 VJZFLSORLYCLNM-YEJXKQKISA-N 437.328 4.362 10 1 IICF COc1ccc([C@H]2C[C@]3(NCCc4cc(C)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O 962150220 YDBJISSASLVWGV-ILBGXUMGSA-N 437.467 4.173 10 1 IICF COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738494 AVZXVAZOXIUAPE-YVSNHVIHSA-N 435.337 4.156 10 1 IICF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCN(C)CC1 101834140 ITSGOBNGELNNFG-MRCUWXFGSA-N 429.351 4.375 10 1 IICF CCN(CC)Cc1cc(Nc2ccc3ncc(-c4ccc([S@](C)=O)cc4)n3n2)ccc1O 1857615973 SCWJXLSHTFTKIU-YTTGMZPUSA-N 449.580 4.425 10 1 IICF Nc1ccc(Oc2ccc3[nH]c(-c4cccnc4S(=O)(=O)C(F)(F)F)nc3c2)cc1 587127350 QVCVUHKXDIACQK-UHFFFAOYSA-N 434.399 4.293 10 1 IICF CCC1=NN2C(=N)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1 1857594815 NVCWFUUSHBNFKG-UHFFFAOYSA-N 428.315 4.269 10 1 IICF COc1ccc(C(=O)n2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 64436954 UXBCZOWHEVFCPP-RUZDIDTESA-N 437.499 4.485 10 1 IICF Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 96271189 IKUBVDMXSRATRQ-UHFFFAOYSA-N 440.569 4.160 10 1 IICF COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738492 AVZXVAZOXIUAPE-QGGNAKNKSA-N 435.337 4.156 10 1 IICF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426985 BUESNWPDXJJZNU-WGDIFIGCSA-N 426.472 4.014 10 1 IICF COc1cc(C[C@H]2c3cc(O)c(O)cc3CCN2Cc2ccccc2)cc(OC)c1OC 29312813 KQHZCEHMSOQMKM-NRFANRHFSA-N 435.520 4.466 10 1 IICF COc1ccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1 64507978 ZKZUEGLCMUAIBB-UHFFFAOYSA-N 428.330 4.435 10 1 IICF COc1ccc2c(c1OC)[C@@H](c1ccc(Cl)cc1O)N(C(=O)c1ccccc1N)CC2 963139634 LVFGEUFMNTYOPK-JOCHJYFZSA-N 438.911 4.433 10 1 IICF COc1ccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)no2)cc1 71281410 RLZYEROKZLONOK-JOCHJYFZSA-N 440.459 4.442 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587774530 OFKOVATXIAJKOK-ZSEKCTLFSA-N 435.337 4.057 10 1 IICF CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2Cl)cc1 40895368 SVUPKEISYGGBGN-UHFFFAOYSA-N 428.897 4.330 10 1 IICF C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 209123877 CGVAXNQFWVWJBU-AVRWGWEMSA-N 446.551 4.347 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(Br)cc2O)N1 587680125 SLZWAODKEKKRAP-HYORBCNSSA-N 431.099 4.386 10 1 IICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(O[C@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587430924 LERSNOQDBLFIQQ-DIUWLVJMSA-N 447.487 4.443 10 1 IICF CN(C)c1ccc([C@@H](CC(=O)c2c(O)n(C)c3ccccc3c2=O)Nc2cccnc2)cc1 3846610 REVMRGHMNGWAMD-OAQYLSRUSA-N 442.519 4.131 10 1 IICF biogenic Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)cn1 71332136 IUFHFMCUUCDKCE-IBGZPJMESA-N 429.505 4.241 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587765834 DPAGADUJXBIBSB-RCDICMHDSA-N 433.365 4.421 10 1 IICF Cc1cc2c(cc1F)[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1O)NCC2 962142887 GYHUUUISLBJHSJ-QHCPKHFHSA-N 441.547 4.132 10 1 IICF O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1 95572905 DCQCBJYZWOJKND-UHFFFAOYSA-N 427.548 4.003 10 1 IICF O=S(=O)(Nc1nccs1)c1ccc(NCc2ccc(Br)cc2O)cc1 103265805 VPEVNCVVSWARNR-UHFFFAOYSA-N 440.344 4.024 10 1 IICF CC(C)CN(Cc1ccc(N2CC[C@@]3(CCCO3)C2)cc1)S(=O)(=O)Cc1ccccc1 147291115 ZGCLYZPOQPVYLP-VWLOTQADSA-N 442.625 4.434 10 1 IICF CC(C)=CCc1cc(C[C@@H](O)C(=O)c2ccc(O)c(CC=C(C)C)c2O)cc(O)c1O 238749485 DIMIXRQTKZYRPV-JOCHJYFZSA-N 426.509 4.313 10 1 IICF O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 1772653276 DHXIKGOKIVHKIZ-UHFFFAOYSA-N 427.334 4.144 10 1 IICF CCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O 26852190 ATDZXRDAHGDCQE-UHFFFAOYSA-N 434.521 4.416 10 1 IICF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN[C@H](C)c4ccccc4)c3O)O2)cc1O 653792881 HVERKENBPJCWKG-PEBXRYMYSA-N 435.476 4.369 10 1 IICF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587232881 CPXQARZRTVWAOD-DOTOQJQBSA-N 431.492 4.499 10 1 IICF C[C@H](CCCCC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H](O)c1ccc(O)c(O)c1 27558212 NQHCZBDEMVZAEJ-JLTOFOAXSA-N 440.462 4.327 10 1 IICF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=Nc1c(O)n(C)c2ccccc12 253994989 AZRRRLFCNKCHJQ-UHFFFAOYSA-N 431.474 4.238 10 1 IICF CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)nc2)cc1 38731739 HKMPLSIYHIFSIE-UHFFFAOYSA-N 428.897 4.278 10 1 IICF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cnc4ccccc4c3)cc2)c1O 103266511 BKYJEYMZCAWAPA-UHFFFAOYSA-N 435.505 4.362 10 1 IICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1O 587610103 PQTQYBOKQXCJKQ-HFZDXXHNSA-N 442.423 4.414 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587766213 MOUWGAQIVRZNNW-NYHFZMIOSA-N 432.381 4.138 10 1 IICF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2C(=O)C(=O)[C@H]1CC=C(C)C 963061797 YATVBFLVPPJGRW-JIPXPUAJSA-N 426.516 4.371 10 1 IICF Cc1oc2c(c1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)c1ncccc1C2=O 1857747970 KJASMLCCQLBKIE-UHFFFAOYSA-N 448.431 4.325 10 1 IICF CC(C)CN([C@H](C)c1ccc(N2CCC(O)CC2)cc1)S(=O)(=O)Cc1ccccc1 224308296 AUAODSAZFFZHAF-HXUWFJFHSA-N 430.614 4.197 10 1 IICF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587262389 REGQKJUWVVSZOZ-UHFFFAOYSA-N 427.416 4.176 10 1 IICF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 962906924 RMRMFBUSGSIKIH-QYBDOPJKSA-N 443.430 4.387 10 1 IICF CC[C@@H]1N[C@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O 22198764 OBJIVGDTIWTEFE-RHRUAYILSA-N 428.382 4.258 10 1 IICF CCCC[C@H](Cc1cc[nH]c1)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356354552 MCBNINOPPJJBAL-KNQAVFIVSA-N 431.529 4.307 10 1 IICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1OC 587277277 RUZYAYXEBJMIBZ-PJIJBLCYSA-N 434.452 4.401 10 1 IICF O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 113625818 QJUUWDZFLQPPJZ-UHFFFAOYSA-N 439.880 4.422 10 1 IICF CNCc1cc(CCC(=O)CC(=O)CCCCCCc2cccc(O)c2)cc(OC)c1O 85627110 YMJXGADQEOWJAY-UHFFFAOYSA-N 441.568 4.480 10 1 IICF biogenic,in-vitro CC1=NC(NCc2ccccc2)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 169723128 HUQAFLHLFALZQW-RPWUZVMVSA-N 442.519 4.323 10 1 IICF Cc1cc([C@@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(O)c2c1CCC2 963153482 VZKZLRYHVAGWOZ-SBUREZEXSA-N 444.553 4.156 10 1 IICF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)c(O)c1)CC3=O)C[C@@H](C(C)(C)O)O2 34706363 GHPCQDAMKFOYPM-PMACEKPBSA-N 440.492 4.093 10 1 IICF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)cc2O)N1 587675469 BSXJOMMFGCRWMR-QZTNRIJFSA-N 431.099 4.386 10 1 IICF CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1 38657471 CJKMAKNSFDMXKI-UHFFFAOYSA-N 445.338 4.438 10 1 IICF CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587277184 QFRVWLIEYGMXJE-CKJXQJPGSA-N 438.509 4.400 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(N)c2O)N1 587679655 NCPOCCQVIDJLRN-CQLKUDPESA-N 444.142 4.436 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587770238 RQWXGLNXKWXCNA-JLCFBVMHSA-N 433.365 4.421 10 1 IICF [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587341277 YMWSNOUWVTYWOB-XUZZJYLKSA-N 444.422 4.443 10 1 IICF COc1ccc2c(c1)[C@]1(C(=O)Nc3cc(N(C)C)ccc31)N(Cc1ccc(F)cc1)CC2 963305260 WJMXWPCTWWGJEW-AREMUKBSSA-N 431.511 4.154 10 1 IICF O=C(O)c1ccc(C(=O)c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)nc3c2O)cc1 28455678 ARINVWUCCKZCAL-XLUWADSXSA-N 427.412 4.451 10 1 IICF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(ccc(O)c2O)[C@@H]1CN1CCCC1 26816784 RTZDYSUUDJFBTF-IBGZPJMESA-N 435.351 4.169 10 1 IICF Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@@H](c3ccccc3O)C2)c1 71340418 UAIBGKHQNYDHJB-HXUWFJFHSA-N 441.516 4.484 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)c3ccc(Br)cc3)[nH]c21 586996151 AJVBDRHVZMKVCT-LJQANCHMSA-N 433.261 4.183 10 1 IICF CN1CCN(c2ccc(CNC(=O)c3cccnc3Oc3ccc(Cl)cc3)cc2)CC1 8649546 GRQARENNEGOSDJ-UHFFFAOYSA-N 436.943 4.209 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)cc2O)N1 587675470 BSXJOMMFGCRWMR-VGDKGRGNSA-N 431.099 4.386 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2O)N1 587677659 LDEQVYYXAHEPAV-MLXNANBUSA-N 431.099 4.386 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587766218 MOUWGAQIVRZNNW-QRQCRPRQSA-N 432.381 4.138 10 1 IICF NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(-c3ccccc3)ccc1-2 28711242 GRKMQFCRWYCSJE-UHFFFAOYSA-N 425.444 4.137 10 1 IICF COC(=O)c1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)cc1 72136847 ULCYZXOSZLCEKF-YKSBVNFPSA-N 430.460 4.130 10 1 IICF Cc1cccc2c1[C@@]1(CCc3cc(O)c(O)cc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963855653 SMVSSOBXCWUHLX-NSYGIPOTSA-N 439.508 4.233 10 1 IICF C[C@H](CCCCC(=O)Nc1ccccc1C(F)(F)F)NC[C@H](O)c1ccc(O)c(O)c1 27556560 YTLNSFLDZLUTKR-VLIAUNLRSA-N 440.462 4.327 10 1 IICF Cn1ncc2c1CCc1c-2c2c(c3c4cc([C@H]5CCCCO5)ccc4n(C)c13)CNC2=O 49035192 ULZBQUZLJDZNPA-OAQYLSRUSA-N 426.520 4.316 10 1 IICF COc1cc2c3c(n(Cc4ccccc4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 13652362 FFHRKNJYASWDCJ-UHFFFAOYSA-N 441.439 4.007 10 1 IICF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 587484306 SNOUOGUXQQOTCN-FTJBHMTQSA-N 446.455 4.477 10 1 IICF COc1ccc(-n2cnc3cc(NCc4ccc(CN5CCOCC5)cc4)ccc32)cc1 95583140 YZKVTEZVSQYKMP-UHFFFAOYSA-N 428.536 4.478 10 1 IICF COc1cc(OC[C@H]2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1 148037386 RRHHMGHXZSDAFW-MAUKXSAKSA-N 446.494 4.194 10 1 IICF COc1cccc2cc3c(nc12)[C@@]1(C=C(c2ccccc2)Oc2c1ccc(O)c2O)NCC3 963072246 XTSGISQYUJWRDY-MHZLTWQESA-N 438.483 4.477 10 1 IICF COc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4C[C@H]5CCCC[C@@H]5C4)cc3)n2c1 1857602365 HEGBFMMPBZJIHZ-WOJBJXKFSA-N 448.567 4.087 10 1 IICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CCCNC(C)=O)cc3)C2)cc1 96173014 GMKIERTVCXWVIZ-LJQANCHMSA-N 438.568 4.332 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587765828 DPAGADUJXBIBSB-FPTDNZKUSA-N 433.365 4.421 10 1 IICF CCCN1[C@@H](C)Cc2ccccc2[C@]12c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O 963237653 YPUGJNRYSXEJCZ-OGUHAFAFSA-N 431.532 4.493 10 1 IICF CC1=NN(c2ccccc2)C(=O)C1=C(Br)[C@H]1C(=O)N(c2ccccc2)N=C1C 2356776235 RMYWIKONPQRBGB-KRWDZBQOSA-N 437.297 4.097 10 1 IICF COc1ccc(N2CC(c3ccc([N+](=O)[O-])cc3)=[N+]([O-])[C@H]2c2ccc(N(C)C)cc2)cc1 28949202 JMGRHSLEUYSYHW-DEOSSOPVSA-N 432.480 4.188 10 1 IICF COc1ccc(C[C@@H]2c3cc(O)c(O)cc3C[C@@H]3c4cc(OC)c(O)cc4CCN23)cc1 85877339 PLJKSYZIJVDEAZ-FGZHOGPDSA-N 433.504 4.260 10 1 IICF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587725106 NONMLEVFQIXAAW-YEJXKQKISA-N 436.344 4.103 10 1 IICF COc1ccc(-n2c(O)c(C/N=N/c3nc(C)cc(C)n3)c3ccccc3c2=O)cc1OC 169691913 HWTPIUJDXLIVLR-AZPGRJICSA-N 445.479 4.404 10 1 IICF COC(=O)c1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587754857 NIBJZCLJYLYRMV-JEOXALJRSA-N 431.305 4.490 10 1 IICF COc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1 72178082 ORHPKBJEHAMSFA-UHFFFAOYSA-N 436.903 4.034 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(N)c2O)N1 587684153 YHDSVGVIRRDPAM-CQLKUDPESA-N 444.142 4.436 10 1 IICF COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)(C(C)C)CC3)nc12 1772626536 MFFBYWZPNDOEPK-UHFFFAOYSA-N 447.601 4.047 10 1 IICF CCN(CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3CCN(CC)CC 28758920 DZUHUMJPFXKZSP-UHFFFAOYSA-N 433.600 4.343 10 1 IICF CC(C)CN(Cc1ccc(N2CC[C@]3(CCCO3)C2)cc1)S(=O)(=O)Cc1ccccc1 220897601 ZGCLYZPOQPVYLP-RUZDIDTESA-N 442.625 4.434 10 1 IICF COCCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772588737 IMUWLFOOLIOQRH-HTAPYJJXSA-N 430.520 4.096 10 1 IICF O=C(Nc1ccc(CCS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccc(F)cc1 1857642165 UZHQSUBTRYSNRY-WYMLVPIESA-N 441.480 4.117 10 1 IICF COC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccc(F)cc2)=NC1=O 1857760276 QTPFQIZGZPMKOU-RONKMWSCSA-N 449.463 4.409 10 1 IICF CC(C)Oc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 96285572 CDFFPEKGYQQMHO-UHFFFAOYSA-N 445.567 4.478 10 1 IICF Cc1nccc(-c2cncc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2)n1 103299477 SZCBTEHLZMTBAL-UHFFFAOYSA-N 443.941 4.425 10 1 IICF O=C(/C=C/c1ccc(O)c(O)c1)NCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 95572977 LSWZCBBLZDXUAT-UXBLZVDNSA-N 437.927 4.420 10 1 IICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)O2 587396879 WUDKFJOMOSCAHU-HOYKHHGWSA-N 433.552 4.004 10 1 IICF CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C[C@H](C(C)(C)O)O2 14695767 YOKJEIDBLPWOSL-LJQANCHMSA-N 438.476 4.160 10 1 IICF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)O2 587396887 WUDKFJOMOSCAHU-UUOWRZLLSA-N 433.552 4.004 10 1 IICF CCN(CC)c1ccc(/C=C2\CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1 1772625364 LEMQROITHDSWNR-XDJHFCHBSA-N 449.574 4.300 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587748761 YHJMUXRMWRINOP-WYRIXSBYSA-N 430.281 4.023 10 1 IICF CC[C@H]1N[C@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O 22198769 OBJIVGDTIWTEFE-QNFDFVDRSA-N 428.382 4.258 10 1 IICF O=C(COc1cccnc1)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O 40933760 VVEUHZMRADBOCX-OAQYLSRUSA-N 437.858 4.413 10 1 IICF Nc1ccc(Cc2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+](=O)[O-])cc2)cc1 66077478 DCHXFIWIXOKSMG-UHFFFAOYSA-N 442.479 4.463 10 1 IICF CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(O)cc3)c2)s1 143178041 SRAVGWPJMUEVII-UHFFFAOYSA-N 437.930 4.237 10 1 IICF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1Cc1c(O)c(O)cc(OS(=O)(=O)O)c1O 14710081 FSCNWLOPXBALPS-SOIKWTOOSA-N 426.531 4.326 10 1 IICF biogenic O=C1c2nccc(Cl)c2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21 26973462 FLQFEOXZDIDKQJ-UHFFFAOYSA-N 431.757 4.073 10 1 IICF O=C(O)c1cncc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1 45287801 SUSFVLPAFPDQIU-ODLFYWEKSA-N 436.514 4.484 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)cc2O)N1 587678564 OGURDUBMKTXIES-GYKQLYQFSA-N 431.099 4.386 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587774512 OFKOVATXIAJKOK-ASSNKEHSSA-N 435.337 4.057 10 1 IICF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(Br)c2O)N1 962699016 DQZVBUPYHMZURZ-KBPBESRZSA-N 434.183 4.001 10 1 IICF COc1ccc(CNC[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 40847302 XRQGLMKDHXEOLH-DEOSSOPVSA-N 432.564 4.178 10 1 IICF COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1 6577896 UCYYADVAVMODDT-UHFFFAOYSA-N 436.581 4.258 10 3 IICF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 29410739 ATZNDGLAPVZOKU-DMEQXSTQSA-N 434.880 4.458 10 1 IICF C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@@H](C)N1 95598535 LULQURBMVALWSH-CALCHBBNSA-N 427.595 4.403 10 1 IICF Cc1cccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)c1 169330535 IECXFDOOFASWHA-GHVJWSGMSA-N 438.465 4.303 10 1 IICF Cc1nc(-c2cnccn2)sc1C(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295497 HJKASTJWCRVZNI-IBGZPJMESA-N 442.504 4.001 10 1 IICF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821326 HQSMAUUCULPIKF-GTJPDFRWSA-N 436.321 4.499 10 1 IICF CC(=O)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26940864 YGYKWVXHIHQHGT-UHFFFAOYSA-N 448.548 4.400 10 1 IICF COC(=O)c1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587756170 RDXPPTVIXJACEI-WYRIXSBYSA-N 431.305 4.490 10 1 IICF Cc1ccc(C)n1-c1cc(C(=O)N2CCC=C(c3ccc(C(=O)O)cc3)C2)ccc1C(=O)O 219903271 QMKZYCDBYSUYDM-UHFFFAOYSA-N 444.487 4.420 10 1 IICF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761985 IOULJEZUMMLQPF-GCJKJVERSA-N 447.457 4.494 10 1 IICF CC(C)(C)CNc1nc(Nc2cccc(N)c2)c2ncn(CCc3ccc(N)cc3)c2n1 40875630 VUQYEOIWAZTLLK-UHFFFAOYSA-N 430.560 4.435 10 1 IICF CC(C)=CCc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@@H](c1ccc(O)c(O)c1)CC2=O 38991934 FMVFFMVMWVSZRC-WOJBJXKFSA-N 440.492 4.093 10 1 IICF biogenic COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(Cl)cc3Cl)CC2)cc1 95574318 WTMDTSOAKKTZJP-HXUWFJFHSA-N 438.355 4.351 10 1 IICF CC1=NC(NCc2ccccc2)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 169723126 HUQAFLHLFALZQW-DNQXCXABSA-N 442.519 4.323 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)cc2O)N1 587678567 OGURDUBMKTXIES-VGDKGRGNSA-N 431.099 4.386 10 1 IICF O=c1c2cc(O)ccc2nc2n1CCc1c-2n(CCCN2CCCCC2)c2ccccc12 1772584427 LYROUJFZFVTCEF-UHFFFAOYSA-N 428.536 4.156 10 1 IICF CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc(O)c1O 2356444667 DAQRMDJZDUGKIX-LOSJGSFVSA-N 440.492 4.422 10 1 IICF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 587491078 MZDAJDNOTOJHGC-ZEQKJWHPSA-N 446.455 4.319 10 1 IICF Cc1ccc(Cn2c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)nc3ccccc32)cc1 1857773158 ZFWUJCHBNUOEBV-PDGQHHTCSA-N 437.546 4.069 10 1 IICF O=C1NC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccc2[nH]cnc2c1 116828878 SBBGUHOXXAWSPH-RUZDIDTESA-N 438.535 4.160 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)cc2O)N1 587675468 BSXJOMMFGCRWMR-HYORBCNSSA-N 431.099 4.386 10 1 IICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12 26836055 JKOYNQQYKVTJBL-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CCN(C)c1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl 35242433 OLPHYDUFRFPDGS-UHFFFAOYSA-N 427.810 4.386 10 1 IICF O=C(/N=N/c1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 40934554 SEEXEHQCHCZJFH-BYYHNAKLSA-N 438.879 4.421 10 1 IICF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)NC(CO)=C2O)[C@@H]1C=CC=CC[C@H](C)O 2356453500 AJDLKWSYDPWRCH-DQZFYAQPSA-N 443.584 4.208 10 1 IICF Nc1ccc2c(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c3ccc(N)cc3nc2c1 29309431 HEFRYKPNILBQQC-UHFFFAOYSA-N 447.564 4.471 10 1 IICF COC1CCN(c2ccc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cc2)CC1 224307209 UMMLIEBQYSZRQB-UHFFFAOYSA-N 430.614 4.290 10 1 IICF COC(=O)c1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587754864 NIBJZCLJYLYRMV-WYRIXSBYSA-N 431.305 4.490 10 1 IICF CCN(CC)c1ccc(OS(=O)(=O)c2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O 34144188 BUPGWOVDNNLYPT-UHFFFAOYSA-N 449.528 4.384 10 1 IICF Nc1ccc(Oc2ccc3nc(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)[nH]c3c2)cc1 587164227 OUUIEOAGOGMAEG-UHFFFAOYSA-N 429.455 4.355 10 1 IICF Cc1c(F)ccc2c1[C@@]1(NCC2)C(C(=O)O)=CN(C)c2cc(N3CCCCC3)c(F)cc21 962096006 ZFWBGCVDWQURCJ-VWLOTQADSA-N 439.506 4.071 10 1 IICF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C=C(c2ccc(O)c(O)c2)Oc2cccc(O)c21 963641740 XQJGUPHKWLXGJJ-PTFIGZPYSA-N 447.487 4.032 10 1 IICF CCCCC[C@H](CCCO)OC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O 85592748 WVFBPGAVNXBZAH-YWWLGCSWSA-N 428.525 4.194 10 1 IICF biogenic,in-vitro O=C(O)COc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269557 TWVBTSCITSTJLA-UHFFFAOYSA-N 440.503 4.087 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(N)c2O)N1 587684154 YHDSVGVIRRDPAM-QPFGOUBPSA-N 444.142 4.436 10 1 IICF O=c1c(C/N=N/c2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 169688662 RGFMMAWJLXLOCE-WJTDDFOZSA-N 440.492 4.105 10 1 IICF CC(C)N1CCN(CCNC2CCN(c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)CC1 618009401 ONESHKOQXLPEHD-UHFFFAOYSA-N 445.655 4.419 10 1 IICF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21c2ccc(F)cc2C[C@@H]2CCCN21 963100684 IUSSVSDQPAGGMI-CBZJRKILSA-N 445.490 4.411 10 1 IICF COC(=O)c1c(OCCN(C)C)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O 28569313 LAGLTBCHFAHIEE-UHFFFAOYSA-N 443.455 4.088 10 1 IICF COc1cccc(-n2c(SC)nnc2C2CCN(Cc3cccc(OC)c3O)CC2)c1 12079392 VRWUZFUFGOGSRW-UHFFFAOYSA-N 440.569 4.092 10 1 IICF COc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1 101261862 KGBITRQPRBXBFJ-BGYRXZFFSA-N 427.614 4.258 10 1 IICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CC[C@@H](F)C3)cc2n1CC(F)(F)F 205478413 AGNKMZZXNJCKQA-CYBMUJFWSA-N 431.393 4.050 10 1 IICF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccccc1 253673069 CGZQOOMOYSCWDN-FQEVSTJZSA-N 428.448 4.231 10 1 IICF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761971 IOULJEZUMMLQPF-AVRDEDQJSA-N 447.457 4.494 10 1 IICF Oc1ccc2c(c1O)CC[C@H]1[CH][CH][C@H](O)[C@@H]([CH]1)[C@H]1[CH][C@H]([CH][CH][C@@H]1O)/C=C/c1cccc(c1)O2 238780213 JABQYKDKHDYMQG-BBLDGIOPSA-N 444.527 4.289 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587726198 VZUZZMSHATTXBH-YEJXKQKISA-N 436.344 4.103 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 587771160 VVQGDXFNSNPMLM-ZDUSSCGKSA-N 433.321 4.347 10 1 IICF Oc1ccc(Cl)cc1C1=Nn2c(COc3ccc4c(c3)CCCC4)nnc2SC1 6041127 NHCROEAXFXFFMC-UHFFFAOYSA-N 426.929 4.453 10 1 IICF Cc1ccc(-n2[nH]cc(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C 169319685 VWMNCZQLRMIIJC-WCWDXBQESA-N 438.465 4.303 10 1 IICF COC(=O)c1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587754862 NIBJZCLJYLYRMV-WLRWDXFRSA-N 431.305 4.490 10 1 IICF COC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O 26939227 YGCPRTROJRKEKF-UHFFFAOYSA-N 436.493 4.246 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c21 587040878 ISTAJZNVPPFRJK-VQTJNVASSA-N 425.513 4.285 10 1 IICF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1c(O)c(O)cc(OS(=O)(=O)O)c1O 14710074 FSCNWLOPXBALPS-ZVGUJKQYSA-N 426.531 4.326 10 1 IICF biogenic CCCN1[C@H](C)Cc2ccccc2[C@@]12c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O 963237656 YPUGJNRYSXEJCZ-SVAMCSGHSA-N 431.532 4.493 10 1 IICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)c(OC)c1 142318500 AOXGJGQUGVWBSO-KRWDZBQOSA-N 427.545 4.084 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735145 WLTDXPDBKZVMOE-GIGQVBGESA-N 426.257 4.076 10 1 IICF COc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc(O)c1O 587786787 XEZBJRRKRTYADW-IHWYPQMZSA-N 441.079 4.073 10 1 IICF COc1cc(OC)cc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C2=NC(=O)CS2)c1 1772624194 XKIAYKWGMOCFRY-HXUWFJFHSA-N 447.516 4.343 10 1 IICF COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3cccc(F)c3)nc12 1772633364 VSQPKNTZIWYMIH-UHFFFAOYSA-N 445.516 4.077 10 1 IICF O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccc(Cl)cc1 28763946 UKNMJEABPHDXPW-UHFFFAOYSA-N 427.976 4.167 10 1 IICF COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(N)cc3)c2cc1OC 34841569 QTBPLVMXVRTFIZ-UHFFFAOYSA-N 428.488 4.189 10 1 IICF O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCCc2cc(O)c(O)c(O)c2)s1 35274879 RFNMJKDVASSNQO-UHFFFAOYSA-N 427.478 4.120 10 1 IICF COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1 73165029 MKVNZTQLQDQPNH-UHFFFAOYSA-N 445.567 4.171 10 1 IICF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1N)C(=O)c1ccccc1C3=O)N(C)[C@@H](C)C2 962638361 PPFIDWAMFZUPOC-SXBQZSJRSA-N 442.515 4.027 10 1 IICF Oc1ccc(C/N=N/c2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)c(O)c1 169690467 ASDCUDFZEINHAQ-SLEBQGDGSA-N 425.537 4.328 10 1 IICF O=C1c2ccccc2[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2c(O)c(CO)cc(O)c21 962676463 ZFXFXWKOMQVRTK-LJAQVGFWSA-N 449.506 4.239 10 1 IICF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C=C(c2ccc(O)c(O)c2)Oc2cc(O)ccc21 963607857 KPEFKPXKAAOPCG-PTFIGZPYSA-N 447.487 4.032 10 1 IICF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cc2c(cc1O)OCO2 963853997 LIQIXTZZYZNEPM-QRQCRPRQSA-N 441.480 4.155 10 1 IICF CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 95568222 DLHDOZMGPFWUQH-RNXOBYDBSA-N 433.596 4.445 10 3 IICF CCCCCC[C@H](C)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 13916765 CTAGDTXGSWYTEE-VKCVVMHYSA-N 446.496 4.409 10 1 IICF COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3O)C[C@@H]2c2ccc(O)cc2)cc1 40914056 FFTLDDJXCOXDAJ-OAQYLSRUSA-N 435.505 4.360 10 1 IICF COc1ccc(N2CCN(C(=O)c3cc4cc5cc(OC)ccc5nc4s3)CC2)cc1 34864845 FXHPAMADJSNNFQ-UHFFFAOYSA-N 433.533 4.429 10 1 IICF CC[C@@]1(c2ccccc2O)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963142756 OULYBOTWVBGYEU-AREMUKBSSA-N 432.520 4.344 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735166 WTHNYRYIIZAICX-OVWNDWIMSA-N 426.257 4.076 10 1 IICF COc1ccc2c(c1)C(=O)c1c(nnn1-c1cc(F)c(-c3ccccc3F)c(F)c1)C2=O 1911571116 OPELOLGTZAXSQV-UHFFFAOYSA-N 435.361 4.136 10 1 IICF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587194888 ZFGZINLIVUHZEH-IBGZPJMESA-N 425.533 4.455 10 1 IICF COc1cc2c(cc1OC)[C@](C)(c1c(O)c(OC)c3occc3c1OC)N(C)[C@H](C)C2 962642693 WHMYBAYBCICPSN-YEBMWUKDSA-N 427.497 4.313 10 1 IICF O=C1c2ccccc2[C@]2(NCCc3cccc(-c4ccccc4)c32)c2c(O)c(CO)cc(O)c21 962676458 ZFXFXWKOMQVRTK-GDLZYMKVSA-N 449.506 4.239 10 1 IICF CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(O)cc2O)NC(NCc2ccccc2)=N1 49068096 MTMATWPRRFOMBX-XMMPIXPASA-N 442.519 4.109 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277584 YWILAVLTLMCTKZ-GLDPYIMESA-N 444.539 4.358 10 1 IICF COc1ccc2c(c1)C[C@H](N1CCN(CCCO)CC1)c1cc(SC)ccc1S2 19370917 YJDQNUURSQAVNY-NRFANRHFSA-N 430.639 4.166 10 1 IICF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 49034577 NPYAWSXQQNCZOF-UHFFFAOYSA-N 448.862 4.129 10 1 IICF COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCN)CCCCN)c2c1 26721064 BIGAHIIWPDZJMX-UHFFFAOYSA-N 444.023 4.242 10 1 IICF COc1cc(-c2nc3ccccc3[nH]2)c2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1772590610 OUVZRCZQHSQLQN-NRFANRHFSA-N 441.487 4.328 10 1 IICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)cc2nc3ccccc3n2c1O 1857623854 CIYPTMSDKNRLGL-UHFFFAOYSA-N 426.432 4.006 10 1 IICF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)C1=O 473107133 HOUDFDDYVFZZPD-UHFFFAOYSA-N 442.387 4.364 10 1 IICF Nc1nc(N)c2c(Nc3ccc(O)c(CN4CCCC4)c3)c3ccc(Cl)cc3nc2n1 28369934 DUZHFYJGKOAISZ-UHFFFAOYSA-N 435.919 4.041 10 1 IICF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnccn2)cc1 38428507 QBECNXROOIXIGG-UHFFFAOYSA-N 429.929 4.459 10 1 IICF CC[C@H](CC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356553314 VNJRDWDXDDWSCC-DYESRHJHSA-N 431.529 4.307 10 1 IICF COc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(Cl)cc3)NC2=O)cc1 64475131 QLTFOQQECKVBHY-RCCKNPSSSA-N 431.879 4.324 10 1 IICF O=C1N=C(N2CCN(Cc3ccccn3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174483 JHKGBAFCXKTYMH-PDGQHHTCSA-N 433.364 4.177 10 1 IICF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C=C(c2ccc(O)c(O)c2)Oc2cc(O)ccc21 963607855 KPEFKPXKAAOPCG-IYJVBRSBSA-N 447.487 4.032 10 1 IICF CN(C)c1ccc([C@]2(CCCCCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963021380 GTTWUCMCUASYPE-DWXRJYCRSA-N 435.568 4.085 10 1 IICF CCN1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587767905 SBBFOQYLFFVGST-QRQCRPRQSA-N 432.381 4.354 10 1 IICF CN(CCO)c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 587193066 RJCGCKLHQWMBIL-UHFFFAOYSA-N 430.224 4.320 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587725104 NONMLEVFQIXAAW-ASSNKEHSSA-N 436.344 4.103 10 1 IICF C[C@@H](CCCCC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H](O)c1ccc(O)c(O)c1 27558210 NQHCZBDEMVZAEJ-VBKZILBWSA-N 440.462 4.327 10 1 IICF CCN1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587767900 SBBFOQYLFFVGST-OYHNWAKOSA-N 432.381 4.354 10 1 IICF COc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1OC 2934291 FMWRDRMIUJQLSK-CLOONOSVSA-N 432.476 4.112 10 1 IICF CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82181294 YRRQJAPVUJYQBJ-NRFANRHFSA-N 445.615 4.400 10 1 IICF CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587277187 QFRVWLIEYGMXJE-WHSLLNHNSA-N 438.509 4.400 10 1 IICF COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12NCCc1cc(C)c(F)cc12 962095996 ZBCXLNXBQZEMPW-RUZDIDTESA-N 435.451 4.048 10 1 IICF COc1cc(C/N=N/c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O 169691864 IVJYADNQWPSEFY-LSDHQDQOSA-N 432.527 4.059 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c21 587118762 OOJCSCNKCYGRNH-UHFFFAOYSA-N 436.393 4.479 10 1 IICF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434805 ZWYJFRCKLUQREP-XDHUDOTRSA-N 433.416 4.014 10 1 IICF CN(C)c1ccc([C@@]2(CCCCCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963021382 GTTWUCMCUASYPE-HFJWLAOPSA-N 435.568 4.085 10 1 IICF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26163816 COFYUEXZEOUVDJ-DEOSSOPVSA-N 442.003 4.224 10 1 IICF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(C[N+](C)(C)C)c2)c(Cl)c1Cl 40812854 BBZWUZUJYYIDFV-UHFFFAOYSA-O 441.331 4.078 10 1 IICF COc1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c(O)c1 45324298 JAQOZMBBMRBYSF-UHFFFAOYSA-N 432.564 4.325 10 1 IICF CCN1C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N(CC)C1=S 13487542 FAIXVGXVZWCCOR-UHFFFAOYSA-N 433.533 4.126 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275765 GHAKNMIBPQOBLB-IECBHUPTSA-N 445.523 4.438 10 1 IICF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2C(=O)C(=O)[C@H]1CC=C(C)C 963061800 YATVBFLVPPJGRW-ZBLYBZFDSA-N 426.516 4.371 10 1 IICF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2 2356512452 UESFDRVOHWXYIQ-JWQCQUIFSA-N 440.492 4.422 10 1 IICF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 40393224 IYLWUGSBDUOIDL-SGXKBVARSA-N 438.542 4.433 10 1 IICF Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 95584920 HQWNNEVSIQKVJT-MZLJFPOFSA-N 435.958 4.145 10 1 IICF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2C(=O)C(=O)[C@@H]1CC=C(C)C 963061799 YATVBFLVPPJGRW-KDYSTLNUSA-N 426.516 4.371 10 1 IICF O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3c(c2)OCCO3)s1 40891621 MUOMSRJOQGBSSX-UHFFFAOYSA-N 439.478 4.221 10 1 IICF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1ccc(Br)c(F)c1O 961321936 KQCRBVWDPUSQGG-NRFANRHFSA-N 438.337 4.461 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c(Br)c2)N1 587679759 SFEJAEXQQORUDG-NZFNHWASSA-N 431.099 4.386 10 1 IICF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)cc(Cl)c1O 10450382 JFLQMDPTNQTVSJ-SECBINFHSA-N 438.716 4.016 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccn4c(Br)cnc34)nc21 587006733 ASNKGNXLZNFMRH-UHFFFAOYSA-N 443.260 4.416 10 1 IICF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 587534042 VAEPTYDQSMAEII-SANMLTNESA-N 428.440 4.136 10 1 IICF Cc1cc(C(=O)N(C)C)c(C)n1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 653724802 XYUPRZLGCGNYDJ-IBGZPJMESA-N 448.519 4.326 10 1 IICF Clc1cc(/C=C/c2ccc(N3CCN(C4=NCCO4)CC3)cc2)cc(Cn2ccnc2)c1 1857751357 JGJMPZRJULZCQL-OWOJBTEDSA-N 447.970 4.263 10 1 IICF O=S(=O)(Nc1cn(C(C2CC2)C2CC2)cn1)c1cc(Br)cc(Cl)c1O 1911583367 KMTMRKUFHUQWTN-UHFFFAOYSA-N 446.754 4.167 10 1 IICF O=C(COc1cccnc1)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O 40933758 VVEUHZMRADBOCX-NRFANRHFSA-N 437.858 4.413 10 1 IICF O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1NS(=O)(=O)c1ccccc1 13680701 JHOKDMLFGOIBRC-ZROIWOOFSA-N 445.374 4.088 10 1 IICF Cn1cc2c(n1)CCc1c-2c2c(c3c4cc([C@@H]5CCCCO5)ccc4n(C)c13)CNC2=O 49793023 SOTJITWYMJJIBQ-NRFANRHFSA-N 426.520 4.316 10 1 IICF COc1ccc2c(c1OC)[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)N(C)[C@H](C)C2 962561567 DGVWBAJGANAGMX-QGHHPUGFSA-N 437.290 4.046 10 1 IICF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1 1708228 CGZQOOMOYSCWDN-SQXAAPRXSA-N 428.448 4.231 10 1 IICF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587820478 DLUQZHOUZAKNBZ-XUSGNXJCSA-N 436.321 4.499 10 1 IICF COc1ccc(C(=O)O[C@H](CN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1857762327 WJWDCGAHOUJUDQ-AREMUKBSSA-N 446.547 4.424 10 1 IICF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587038228 FCSLUDPRHGNJDZ-UHFFFAOYSA-N 447.476 4.204 10 1 IICF CCCc1c(O)ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1O 962926912 OEORUFXUPBLMNK-BKMJKUGQSA-N 449.503 4.411 10 1 IICF CC(=O)c1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 29125354 RWJUGKSKYOKGCS-UHFFFAOYSA-N 426.520 4.396 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587725285 OPFNAYAXHDBUSM-LRTDBIEQSA-N 437.328 4.362 10 1 IICF Cc1cc([C@@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(O)c2c1CCC2 963153480 VZKZLRYHVAGWOZ-HXOBKFHXSA-N 444.553 4.156 10 1 IICF O=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295615 CVKWDOFHMOYATG-FQEVSTJZSA-N 426.432 4.139 10 1 IICF CN(CCO)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 587192758 BTXMQBVKFBZRCK-UHFFFAOYSA-N 425.124 4.183 10 1 IICF Oc1ccc(O)c([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1Br 961314910 BERAPNUEXJDLDR-INIZCTEOSA-N 425.120 4.391 10 1 IICF CCO[C@@H]1CN(c2ccc(OCC3CC3)cc2)C[C@@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772630981 ZNBCRPUUUZUWNT-IMDCKVJKSA-N 438.568 4.345 10 1 IICF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncn2)cc1 34207324 ZKVAOBRUMPEXTG-UHFFFAOYSA-N 429.929 4.459 10 1 IICF Cc1cccc(NC(=O)c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc(N)cc3)n2)c1C 73385877 LYUNGAJJRPYZOS-UHFFFAOYSA-N 440.507 4.158 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823966 SQSMMMCCNMPFBU-XFNZEKPQSA-N 428.301 4.423 10 1 IICF CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 6576858 QMTLNFNTCKJVJE-AYRHNUGRSA-N 427.633 4.213 10 1 IICF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586962827 HXLYCNBQASMKNX-MRXNPFEDSA-N 430.489 4.386 10 1 IICF COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2cc1OC 587276037 ICTYATLPJLFEAX-DGCWBMGLSA-N 434.452 4.401 10 1 IICF O=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c2C[C@H](c2cccc3ccccc23)OC1=O 28825676 YQLQTCGKVVUNGD-OAQYLSRUSA-N 436.419 4.481 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@H]1CC=C[C@@H]21 587276393 LATNSDMAAUCXKB-UFYHVXEKSA-N 436.384 4.422 10 1 IICF O=C(Sc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1[N+](=O)[O-] 103265427 FYJAJWRLWCJDEG-UHFFFAOYSA-N 429.413 4.179 10 1 IICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)OCO3)CC2 587583480 SHQGODVZWJAFJX-QFIPXVFZSA-N 431.444 4.122 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2cccs2)[C@H]1NC(=O)c1ccc(F)cc1 2356583029 GYIONMZTLLZEIS-AKFKNWHVSA-N 440.540 4.089 10 1 IICF CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 29341417 UCWBZRKGWNDOST-UHFFFAOYSA-N 426.296 4.109 10 1 IICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 29389788 MLGMNELVJQCRKM-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CC(C)=CCc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@H](c1ccc(O)c(O)c1)CC2=O 38991932 FMVFFMVMWVSZRC-VQTJNVASSA-N 440.492 4.093 10 1 IICF biogenic,in-vitro O=C(/C=C/c1ccc(N2CCc3cc(O)ccc3[C@@H]2c2ccccc2)cc1)N1CCOCC1 26657418 AOQCXARLJLESBQ-OEGMZDAKSA-N 440.543 4.416 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(N4CCN(C)CC4)cc3[nH]1)[C@H]1CC=C[C@H]21 587277587 YWILAVLTLMCTKZ-JXQFQVJHSA-N 444.539 4.358 10 1 IICF COc1ccc2c(c1OC)[C@](C)(c1ccc(N(C)C)cc1)N(C(=O)c1ccccc1N)CC2 963157429 LQRCTQXAYYTOQE-MHZLTWQESA-N 445.563 4.314 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccc(F)cc1 2356583032 GYIONMZTLLZEIS-ZDXQCDESSA-N 440.540 4.089 10 1 IICF CC1=NN(C(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2O)C(=O)C1 98082121 WHRDLHWZHJQQLF-UHFFFAOYSA-N 428.473 4.479 10 1 IICF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)c1ccon1 149645657 MFZWMBPXZWKETJ-GOSISDBHSA-N 431.536 4.428 10 1 IICF COC(=O)C1=Cc2c(n(C)c3ccccc23)C(C(=O)OC)=Cc2c1n(C)c1ccccc21 2356732426 HDVUYDAVMIKLEJ-UHFFFAOYSA-N 426.472 4.411 10 1 IICF Cc1cc(C)c2c(c1O)[C@H](NCC(=O)N1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26158061 GZNKGESPXLKYIV-DEOSSOPVSA-N 442.003 4.224 10 1 IICF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N\c1c(O)n(C)c2ccccc12 102777561 AZRRRLFCNKCHJQ-MRCUWXFGSA-N 431.474 4.238 10 1 IICF O=C1NC[C@@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccc2[nH]cnc2c1 116828880 SBBGUHOXXAWSPH-VWLOTQADSA-N 438.535 4.160 10 1 IICF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2)SC1=S 1857649748 NREUTIUBLURQAV-SXGWCWSVSA-N 443.937 4.024 10 1 IICF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1Cc1c(O)c(O)cc(OS(=O)(=O)O)c1O 14710084 FSCNWLOPXBALPS-DAESXHAQSA-N 426.531 4.326 10 1 IICF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)c(O)c(O)c12 1857756225 XFYUSJVHNRWVBG-UHFFFAOYSA-N 449.440 4.017 10 1 IICF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)cc2)(c2ccc(O)cc2O)N1 963228413 RSRLJAJJDXXBKH-RCZVLFRGSA-N 446.890 4.190 10 1 IICF O=C1c2cccc(O)c2C(=O)c2c1cc(O)c1c2C[C@@H](c2cccc3ccccc23)OC1=O 28825675 YQLQTCGKVVUNGD-NRFANRHFSA-N 436.419 4.481 10 1 IICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963112436 SVDOWHTWEPLPTE-DLWYOUKJSA-N 449.478 4.436 10 1 IICF [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587341275 YMWSNOUWVTYWOB-QPPBQGQZSA-N 444.422 4.443 10 1 IICF C[n+]1c(C=C2C=CN(CC(=O)NCCCCCCN)c3ccccc32)sc2ccccc21 1857607693 DJZSSTJQAHNAKM-UHFFFAOYSA-O 447.628 4.235 10 1 IICF CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587413110 PWFLNKVJGSYRHN-OZXSUGGESA-N 445.471 4.114 10 1 IICF COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739451 GZNRSSGPGVGQCO-PKYBFINWSA-N 435.337 4.156 10 1 IICF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 96934553 SVYROGRKUVXSAG-HOFKKMOUSA-N 439.467 4.418 10 1 IICF Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2c(N)noc2c1 40975403 QSCISKQLQKLSLA-UHFFFAOYSA-N 428.492 4.474 10 1 IICF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 169715197 XRSXQDBFVLPZEW-WCWDXBQESA-N 434.481 4.085 10 1 IICF CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc21 95602807 HZNHFNRGJQRTTG-UHFFFAOYSA-N 429.956 4.060 10 1 IICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(O[C@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587430929 LERSNOQDBLFIQQ-WJGUHTKASA-N 447.487 4.443 10 1 IICF CN(C)S(=O)(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587079347 CWDHVAPQUAXWMQ-KSMMKXTCSA-N 428.945 4.293 10 1 IICF COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)nn1-c1ccccc1F 587155923 ITXRXTLURXYNEQ-UHFFFAOYSA-N 438.418 4.339 10 1 IICF COC(=O)c1ccc([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)cc1 72136846 ULCYZXOSZLCEKF-GBXCKJPGSA-N 430.460 4.130 10 1 IICF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)C1=O 473108844 OWNPJQDVQQTFHK-UHFFFAOYSA-N 442.387 4.364 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(Br)cc2O)N1 587677652 LCLVILVPDKOECP-HYORBCNSSA-N 431.099 4.386 10 1 IICF O=C1NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 40409960 DESMRHGBDUFELZ-KGENOOAVSA-N 432.863 4.016 10 1 IICF Cc1nnc2n1-c1ccc(N3CCNCC3)cc1Cc1cc(-c3ccc(Cl)cc3)oc1-2 73240412 FHTHRPFHYIVJLA-UHFFFAOYSA-N 431.927 4.470 10 1 IICF O=C(O)CSc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O 143123156 KWOGXXULKCPPGD-UHFFFAOYSA-N 437.926 4.317 10 1 IICF CN(c1cccc(Cl)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 169700747 ONPGDBONBQODHS-UHFFFAOYSA-N 430.903 4.424 10 1 IICF CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 587412734 OFYYNVOQAMARJU-CLJLJLNGSA-N 445.471 4.271 10 1 IICF O=C(NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cccc(C(F)(F)F)c1 587110835 DPFCYIQBQPPREU-UHFFFAOYSA-N 449.388 4.287 10 1 IICF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C=C(c2ccc(O)c(O)c2)Oc2cc(O)ccc21 963607858 KPEFKPXKAAOPCG-RMKBEBRYSA-N 447.487 4.032 10 1 IICF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl 100020365 FJXJGORIJLCIAF-DMEQXSTQSA-N 434.880 4.458 10 1 IICF O=S(=O)(c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 1014025 PZYXUOKZHZFZJV-CNNODRBYSA-N 430.957 4.187 10 1 IICF O=C1N=C(N2CCN(Cc3ccncc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174485 CQMAUYLBSISAAK-PDGQHHTCSA-N 433.364 4.177 10 1 IICF COc1ccc(CCNC[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 40422579 PGFSLUFAZXXCPT-RUZDIDTESA-N 446.591 4.220 10 1 IICF COC(=O)c1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587756169 RDXPPTVIXJACEI-WLRWDXFRSA-N 431.305 4.490 10 1 IICF COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2cc1OC 587276038 ICTYATLPJLFEAX-HKZYLEAXSA-N 434.452 4.401 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587726199 VZUZZMSHATTXBH-ZSEKCTLFSA-N 436.344 4.103 10 1 IICF CCCC[C@H](CC1=CCN=C1)[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356872719 ZAXFAKYFMNJFQG-DENIHFKCSA-N 431.529 4.137 10 1 IICF CCN1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587767895 SBBFOQYLFFVGST-IVZQSRNASA-N 432.381 4.354 10 1 IICF O=C(O)c1cccc(C(=O)c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)nc3c2O)c1 28463907 QNGSYSFXRJMKLB-XBXARRHUSA-N 427.412 4.451 10 1 IICF CCN(CC)CCNc1ccc2c3c(nn2CCN(CC)CC)-c2ccccc2C(=O)c13 28759072 JRALLSUFFWAXRE-UHFFFAOYSA-N 433.600 4.343 10 1 IICF CC(C)CN(Cc1ccc(N2CC[C@]3(CCOC3)C2)cc1)S(=O)(=O)Cc1ccccc1 220897083 WORKHJMPHALYNU-VWLOTQADSA-N 442.625 4.291 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587770721 STLXLOYTPRVJEJ-JLCFBVMHSA-N 433.365 4.347 10 1 IICF COc1cc(N(C(C)=O)S(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 26852181 DUIUCLKCVDGSMR-UHFFFAOYSA-N 435.505 4.453 10 1 IICF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 587484307 SNOUOGUXQQOTCN-IZZNHLLZSA-N 446.455 4.477 10 1 IICF Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2F)cc1 12355245 USYBQIBCQASYJA-UHFFFAOYSA-N 448.542 4.071 10 1 IICF Cc1cn([C@H]2C=C[C@@H](COC(=O)CCCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O 71330839 KVWGYLKONWQTCQ-RBUKOAKNSA-N 447.536 4.053 10 1 IICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cc(-n2ccnc2C)cs1 72124268 CULJADMCHABLIT-UHFFFAOYSA-N 434.521 4.124 10 1 IICF CCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1 96929428 LPPDAORDPPLCDU-UHFFFAOYSA-N 448.107 4.161 10 1 IICF Cc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(=O)c3cn[nH]c3)cc2)C1 1772648937 BDIVHGUCLOHHDS-MHECFPHRSA-N 446.551 4.408 10 1 IICF COc1cc(-c2cc(C(=O)O)cc3c(SC)c(O)c(O)c(OC)c23)cc(OC)c1O 2356324762 KMYSPGOYOSFGQB-UHFFFAOYSA-N 432.450 4.070 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587748759 YHJMUXRMWRINOP-WLRWDXFRSA-N 430.281 4.023 10 1 IICF Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCCN(c2nc3ccc(Cl)nc3[nH]2)C1 1772622495 DOKJPQJKUREKQO-LBPRGKRZSA-N 426.735 4.382 10 1 IICF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc(O)c1O 15120633 DAQRMDJZDUGKIX-PRANAVDNSA-N 440.492 4.422 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587726158 VJZFLSORLYCLNM-ASSNKEHSSA-N 437.328 4.362 10 1 IICF Cc1nn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(O)c1N=Nc1ccc(C(N)=O)cc1 617978367 HYLJBXULONOYIW-UHFFFAOYSA-N 449.452 4.432 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587742558 ARKHJYUOAFVGSW-WYRIXSBYSA-N 430.281 4.023 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c(Br)c2)N1 587675711 CQIPACUFLKOVOX-NZFNHWASSA-N 431.099 4.386 10 1 IICF CCCCCCn1c(O)c(P(=O)(OCC)OCC)c2c1C(=O)c1ccccc1C2=O 1857541963 NDCHHCXUVCFFLI-UHFFFAOYSA-N 433.441 4.441 10 1 IICF CCN1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587766999 PWWVFLXXSSGPTO-IVZQSRNASA-N 432.381 4.354 10 1 IICF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccccc3)C2)cc1Cl 73162494 BSNCDKNIUDDFSG-OAQYLSRUSA-N 441.940 4.357 10 1 IICF CN(CCO)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 587192793 CYYSRUUBOPQQTL-UHFFFAOYSA-N 425.124 4.183 10 1 IICF COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 1772631766 NIIBSIMWHVDFED-UHFFFAOYSA-N 445.516 4.077 10 1 IICF CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(C)c2)o1 40410115 NCHHIRDRTWMYQV-NDENLUEZSA-N 430.416 4.458 10 1 IICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@H]43)C[C@H]2C)cc1 504716781 QCFMNECCTNFCRH-WCLYAXFTSA-N 436.596 4.440 10 1 IICF biogenic COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O 587863072 QATOPIMVMNXADH-FQEVSTJZSA-N 436.386 4.031 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2O)N1 587677657 LDEQVYYXAHEPAV-KWKYVRJSSA-N 431.099 4.386 10 1 IICF CCN(CCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccc(N(C)C)cc1 1857756706 AMYPZWNYJWXLGS-UHFFFAOYSA-N 429.586 4.058 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823811 RRKBWAJLFYTXJH-SAHAZLINSA-N 428.301 4.423 10 1 IICF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cn3)cc2)cc(C)c1O 103283675 WJHLTPMNRRALNX-GHVJWSGMSA-N 426.454 4.318 10 1 IICF Cc1[nH]n(Cc2ccccc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169319692 HAMRXLYWXYNPPX-GHVJWSGMSA-N 438.465 4.054 10 1 IICF C[N+](C)=[N+]=Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 40457158 FPQMLJDRTAEFLR-UHFFFAOYSA-N 434.525 4.378 10 1 IICF Cc1cc([C@@H](NC(=O)COc2ccccc2)c2cccc([N+](=O)[O-])c2)c(O)c2ncccc12 40918416 JSDDRNJWKMWYJP-QHCPKHFHSA-N 443.459 4.442 10 1 IICF CCN(CC)c1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1 64353912 OWNZKVSBQKCDFJ-NRFANRHFSA-N 425.529 4.256 10 1 IICF COc1ccc(N2CCN(CCCCOc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1 103268604 RSKSIJANDNDTDQ-UHFFFAOYSA-N 448.563 4.272 10 1 IICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C(=N)O)cc12 26842408 VMUWBRPSKWLVGH-UHFFFAOYSA-N 436.493 4.395 10 1 IICF C[C@H](NC(=O)c1cc[nH]n1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772657066 XCQJVTCWYSYNRW-MHECFPHRSA-N 446.551 4.347 10 1 IICF CCOC(=O)c1ccc(O)c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962958914 QHYPZRGZKQMRRI-HXUWFJFHSA-N 435.442 4.329 10 1 IICF Cc1cccc2c1[C@@H](c1cccc(C=O)c1O)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841048 GGGOSEQCEXTVON-DYESRHJHSA-N 425.481 4.239 10 1 IICF COC(=O)c1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C 587580077 WWPYKYMMMUFBEI-YKSBVNFPSA-N 429.428 4.373 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587724034 DJMDERCPXRQVMK-LRTDBIEQSA-N 436.344 4.103 10 1 IICF O=S(=O)(Nc1nc(-c2cc(O)c(O)c(O)c2)cs1)c1ccc(Cl)cc1Cl 1661921 BGTOVQYRMXIYEM-UHFFFAOYSA-N 433.294 4.035 10 1 IICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(OCC(=O)O)cc4)c1C)[C@@H](C2)C3=O 587431040 LWPGTVXAAJCZKI-CPJSRVTESA-N 433.460 4.055 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587764195 CEBWKSNMOZICFF-QRQCRPRQSA-N 432.381 4.138 10 1 IICF COc1ccc2c(c1OC)[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)N(C)[C@H](C)C2 962561562 DGVWBAJGANAGMX-BMLIUANNSA-N 437.290 4.046 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735164 WTHNYRYIIZAICX-DGIBIBHMSA-N 426.257 4.076 10 1 IICF Cc1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1 1911574154 WOKCPJTYIUMFPY-UHFFFAOYSA-N 434.743 4.229 10 1 IICF CS(=O)(=O)N1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 26842816 CNJKGKJHCRPANB-UHFFFAOYSA-N 432.549 4.213 10 1 IICF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO 95877903 UKXONICFEWMAGM-GPUOULLFSA-N 438.593 4.207 10 1 IICF CCN1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767002 PWWVFLXXSSGPTO-NYHFZMIOSA-N 432.381 4.354 10 1 IICF CC(C)CN(Cc1ccc(N2CC[C@@]3(CCOC3)C2)cc1)S(=O)(=O)Cc1ccccc1 147268380 WORKHJMPHALYNU-RUZDIDTESA-N 442.625 4.291 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(N)c2O)N1 587679658 NCPOCCQVIDJLRN-QPFGOUBPSA-N 444.142 4.436 10 1 IICF Nc1ccc(CN2CCC(n3cc(Cc4ccc(Br)cc4)nn3)CC2)cc1 1857545830 XFFULVCSYALHCN-UHFFFAOYSA-N 426.362 4.051 10 1 IICF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586984452 QIZXTQPFUGCKPG-KRWDZBQOSA-N 446.304 4.343 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587725073 NBEPKZQFEPKTEJ-LRTDBIEQSA-N 436.344 4.103 10 1 IICF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(OCCN(C)C)cc4)ncnc32)c1 169685267 SKUPHTXFIQUENB-BYCLXTJYSA-N 431.500 4.048 10 1 IICF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccncc34)cc2)c1O 103266514 VCBTWOVZUMXUCE-UHFFFAOYSA-N 435.505 4.362 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(Br)c2)N1 587679761 SFEJAEXQQORUDG-ZIDLFYJRSA-N 431.099 4.386 10 1 IICF Cc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 169347440 YJYSRJUZHKSHGJ-UHFFFAOYSA-N 445.567 4.147 10 1 IICF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821329 HQSMAUUCULPIKF-XUSGNXJCSA-N 436.321 4.499 10 1 IICF Oc1ccc(Br)c2c1CN[C@H](CN1CCC3(CCc4ccccc43)CC1)C2 35951751 NRBKSEMIVLUNEF-KRWDZBQOSA-N 427.386 4.149 10 1 IICF Nc1ccc(Oc2ccc3nc([C@@H](CC(=O)O)NC(=O)OCc4ccccc4)[nH]c3c2)cc1 587204250 WVHBLLOEJWQFAK-OAQYLSRUSA-N 446.463 4.380 10 1 IICF Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1C 962927050 DNDYIXKSHPNUAG-XMMPIXPASA-N 431.536 4.038 10 1 IICF COc1ccc(C(=O)Nc2ccc(CC[S@@](=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1 1857639410 JFCWZELBXCJTAK-XSWVMQTGSA-N 437.517 4.321 10 1 IICF COc1ccc(C(=O)Nc2ccc(CC[S@](=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1 1857639409 JFCWZELBXCJTAK-CRWMHBFFSA-N 437.517 4.321 10 1 IICF CCCCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(O)c1 962711538 SMLPYJYJGXJCJL-IEBWSBKVSA-N 427.394 4.417 10 1 IICF COc1ccc2c(c1)C[C@@H](N1CCN(CCCO)CC1)c1cc(SC)ccc1S2 19370915 YJDQNUURSQAVNY-OAQYLSRUSA-N 430.639 4.166 10 1 IICF CC1=NC(NCc2ccccc2)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 169723127 HUQAFLHLFALZQW-BJKOFHAPSA-N 442.519 4.323 10 1 IICF Cc1oc2c(c1C(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C(=O)c1ncccc1C2=O 1857748752 NHPNAQVCTXYBTC-UHFFFAOYSA-N 437.407 4.209 10 1 IICF C[C@H](CCCCC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H](O)c1ccc(O)c(O)c1 27556556 YTLNSFLDZLUTKR-JLTOFOAXSA-N 440.462 4.327 10 1 IICF COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)c(F)c2)CC1 474609018 NPWPDDLAKMBGPN-CYYJNZCTSA-N 431.487 4.369 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(O)c2Br)N1 587681893 YGRFRDKPIXMQCO-HYORBCNSSA-N 431.099 4.386 10 1 IICF C[N+](C)(C)c1ccc(CNC(=O)c2cn(Cc3cccc(C(=N)N)c3)c3ccccc23)cc1 13474337 KRQXSPZDISOEOT-UHFFFAOYSA-O 440.571 4.100 10 1 IICF COc1cc2oc3cc(O)c(O)c(CCC(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 53299038 HPBDPXPBIKIIJO-UHFFFAOYSA-N 428.481 4.284 10 1 IICF biogenic Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1 64573298 UFYNVMLPCYILNZ-IBGZPJMESA-N 444.554 4.287 10 1 IICF CN(CCO)c1ccc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1 961772202 BKCACKYDTJCJRR-DEOSSOPVSA-N 437.584 4.356 10 1 IICF COC(=O)c1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2cc1OC 587276039 ICTYATLPJLFEAX-PXIJXODZSA-N 434.452 4.401 10 1 IICF CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 26166434 MQAZMXBBLMPTKM-CYFREDJKSA-N 435.612 4.448 10 1 IICF Cc1cccc2c1[C@H](c1cccc(C=O)c1O)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841049 GGGOSEQCEXTVON-UTKZUKDTSA-N 425.481 4.239 10 1 IICF Cc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 587407651 DMPSCTMXEDQWHK-LOSJGSFVSA-N 431.444 4.017 10 1 IICF COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(O[C@H]2CCOC2)c1 587927267 SFSDREFWDIJVLZ-FQEVSTJZSA-N 435.476 4.116 10 1 IICF CC[C@@H](CC[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356553317 VNJRDWDXDDWSCC-UWJYYQICSA-N 431.529 4.307 10 1 IICF O=S(=O)(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccccc1 103267403 YQIBKKMAEYZDOG-UHFFFAOYSA-N 449.517 4.164 10 1 IICF O=C1OC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccn2ccnc2c1 202248072 ILAGUHVQRDPDGJ-XMMPIXPASA-N 439.519 4.359 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276387 LATNSDMAAUCXKB-CLUVUEOHSA-N 436.384 4.422 10 1 IICF CCN1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587767007 PWWVFLXXSSGPTO-QRQCRPRQSA-N 432.381 4.354 10 1 IICF C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccccc21 26935731 UIICPJUXNRQZAI-UHFFFAOYSA-O 435.573 4.042 10 1 IICF CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1 13474313 KCIYEKHGUZISEW-UHFFFAOYSA-N 443.526 4.109 10 1 IICF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc3c4c(c2)CCCN4CCC3)N1 962709034 LMYXHPDQGPHVEO-VQTJNVASSA-N 434.433 4.232 10 1 IICF O=[N+]([O-])c1cc(O)c(O)c([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963831341 FSUDAMRLWLSMML-QFIPXVFZSA-N 431.448 4.301 10 1 IICF CC(=O)N(C)CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847585 PFVUSUOWGJLXLN-UHFFFAOYSA-N 448.548 4.352 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)[C@@H]1CC=C[C@H]21 587276391 LATNSDMAAUCXKB-CRTZDJKQSA-N 436.384 4.422 10 1 IICF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2C(=O)C(=O)[C@@H]1CC=C(C)C 963061795 YATVBFLVPPJGRW-IDISGSTGSA-N 426.516 4.371 10 1 IICF CS(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 1857752251 RDSWUBGYIAEXAX-NSCUHMNNSA-N 437.540 4.140 10 1 IICF COC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(F)cc2)=NC1=O 1857760277 QTPFQIZGZPMKOU-XNHPLOEXSA-N 449.463 4.409 10 1 IICF COC(=O)c1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C 587580075 WWPYKYMMMUFBEI-RDPSFJRHSA-N 429.428 4.373 10 1 IICF CCCCNC[C@@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 653717461 KWZHLUZHNBGVJW-VCOZGABYSA-N 430.552 4.198 10 1 IICF COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cc(Cl)ccc3O)C2)cc1 299871439 YODBWSJJWXVPEL-OAQYLSRUSA-N 427.932 4.218 10 1 IICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(O[C@@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587430927 LERSNOQDBLFIQQ-PUAZMWONSA-N 447.487 4.443 10 1 IICF CCn1c(O)c(/N=N\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 8685520 PQLPRDUYWXAGDN-VHXPQNKSSA-N 440.525 4.466 10 1 IICF COCCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772588739 IMUWLFOOLIOQRH-JTSKRJEESA-N 430.520 4.096 10 1 IICF O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1 95577571 YEGILKGBPDUDEG-UHFFFAOYSA-N 441.575 4.393 10 1 IICF N[C@H](N=O)c1ccc(N(Cc2ccccc2[C@H](N)N=O)Cc2ccccc2[C@H](N)N=O)cc1 957680134 SWJZQDFOQGKWEC-DNVJHFABSA-N 447.499 4.065 10 1 IICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCC(F)CC3)cc2n1CC(F)(F)F 205073179 SDFZVXCXJRJZTN-UHFFFAOYSA-N 445.420 4.440 10 1 IICF CC[C@H](CC[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356553316 VNJRDWDXDDWSCC-UTKZUKDTSA-N 431.529 4.307 10 1 IICF O=S(=O)(Nc1cc(I)c(O)c2ccccc12)c1cccs1 84668813 IMSUJBITJQGPHA-UHFFFAOYSA-N 431.276 4.012 10 1 IICF O=[N+]([O-])C(/N=N/c1ccc(Br)cc1)=C1\NCCN1Cc1ccc(Cl)nc1 103216834 XTKPMUCCCRMEIV-DYUKIBRESA-N 437.685 4.090 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587770239 RQWXGLNXKWXCNA-PEBXRYMYSA-N 433.365 4.421 10 1 IICF COc1ccc(C2(Cc3cc[n+]([O-])cc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 13781561 SDTBOQRXNZAAKT-UHFFFAOYSA-N 443.499 4.210 10 1 IICF COc1ccc(N2CCN(Cn3nc(Cc4ccc(SC)cc4)oc3=S)CC2)cc1 64447490 VIUSKRUAKIXHCR-UHFFFAOYSA-N 442.610 4.307 10 1 IICF CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C 28862684 RRFHNTCAXQZHMZ-UHFFFAOYSA-N 433.476 4.240 10 1 IICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 142202930 WTGXNJCQAYSVEY-WMLDXEAASA-N 434.458 4.324 10 1 IICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(Br)c1 587540674 QENNWAYRZVYLLM-JXFKEZNVSA-N 429.222 4.269 10 1 IICF C[N+](C)(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1 13474317 MFLDBKOULWSBTE-UHFFFAOYSA-O 440.571 4.100 10 1 IICF COc1ccc2c(c1)CC[C@@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21 13643287 UIDZLCOJXTUNII-RUZDIDTESA-N 443.591 4.495 10 1 IICF CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2cccc(S(N)(=O)=O)c2)o1 40810633 HCXHHOYIVDZZKZ-BKUYFWCQSA-N 435.505 4.017 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356397204 JGEWTHYRNNQJIV-GSLIJJQTSA-N 434.511 4.028 10 1 IICF Cc1cc([C@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(O)c2c1CCC2 963153479 VZKZLRYHVAGWOZ-GAJHUEQPSA-N 444.553 4.156 10 1 IICF CCOc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1857541136 CPMVNZJOFNHVSC-LOSJGSFVSA-N 430.504 4.499 10 1 IICF CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(Br)c1 1857771661 HHXDMZYFGDSCDB-WJDWOHSUSA-N 443.297 4.197 10 1 IICF CC[C@@H]1N[C@@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O 17218309 OBJIVGDTIWTEFE-WLLWXBRJSA-N 428.382 4.258 10 1 IICF CN(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1)c1ccccc1Cl 169700749 GAMWBAXKUDYSFI-UHFFFAOYSA-N 430.903 4.424 10 1 IICF O=C1N=C(N2CCN(Cc3cccnc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174484 NCXXMLBTEIWYNO-WQRHYEAKSA-N 433.364 4.177 10 1 IICF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2O)C1 114097884 PCWDNGPMDMURKX-JOCHJYFZSA-N 438.568 4.060 10 1 IICF Cc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 587407644 DMPSCTMXEDQWHK-DQEYMECFSA-N 431.444 4.017 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587765832 DPAGADUJXBIBSB-PEBXRYMYSA-N 433.365 4.421 10 1 IICF CCOC(=O)c1cccc(N2N=C(C)/C(=C/C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)c1 1857655324 PPDNNFZAMLDFNI-ZHZULCJRSA-N 441.528 4.159 10 1 IICF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1N)C(=O)c1ccccc1C3=O)N(C)[C@H](C)C2 962638357 PPFIDWAMFZUPOC-PWECECGKSA-N 442.515 4.027 10 1 IICF CN(C)c1ccc([C@]2(CCCCCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963021385 GTTWUCMCUASYPE-QYBDOPJKSA-N 435.568 4.085 10 1 IICF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3cccc4ccccc34)c(O)c(O)c12 1857756494 UIQSDCZBQNDLLV-UHFFFAOYSA-N 449.440 4.017 10 1 IICF O=C1NN(C(=O)c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 40409944 OUSYLOVHXBUASZ-XSFVSMFZSA-N 432.863 4.016 10 1 IICF O=C(O)COc1ccc(C/N=N/c2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 169689564 IVGOLZFOEXPXDX-RMLRFSFXSA-N 447.499 4.353 10 1 IICF CC(C)=CCc1cc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@H]2O)cc(O)c1O 207455567 DOQXPIMBWCPPGL-BJKOFHAPSA-N 440.492 4.204 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@H]1CC=C[C@H]21 587272655 XGVRBTWQVLNTMX-PGUXBMHVSA-N 427.262 4.110 10 1 IICF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1ccc(Br)c(F)c1O 961321973 KQCRBVWDPUSQGG-OAQYLSRUSA-N 438.337 4.461 10 1 IICF Cc1ccc(C(=O)Nc2ccc(CCS(=O)(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1 1857641197 AFGADLGYSSZXML-FYWRMAATSA-N 437.517 4.287 10 1 IICF CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 96285583 WFHZYBSNVSUVEK-UHFFFAOYSA-N 431.540 4.089 10 1 IICF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587119025 WEGZATLJWGYZGL-UHFFFAOYSA-N 432.362 4.418 10 1 IICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c(Br)c1 587540677 QENNWAYRZVYLLM-UZLBHIALSA-N 429.222 4.269 10 1 IICF NCCCS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 28016101 CBXFTPWXCIWFFV-UHFFFAOYSA-N 436.493 4.162 10 1 IICF Cn1ncc2c1CCc1c-2c2c(c3c4cc([C@@H]5CCCCO5)ccc4n(C)c13)CNC2=O 49035190 ULZBQUZLJDZNPA-NRFANRHFSA-N 426.520 4.316 10 1 IICF Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@@H](C)C3)cccc2n1 64559550 DEGNGOWCMPZWDE-FQEVSTJZSA-N 426.564 4.148 10 1 IICF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 587491071 MZDAJDNOTOJHGC-JYFHCDHNSA-N 446.455 4.319 10 1 IICF CCN(CC)c1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1 58576021 OWNZKVSBQKCDFJ-OAQYLSRUSA-N 425.529 4.256 10 1 IICF CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccc(N(C)C)cc1 1911571303 GLCGOAOIPMFIAU-XDJHFCHBSA-N 449.574 4.300 10 1 IICF CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12 6003027 CCNILPFRYYKQOP-UHFFFAOYSA-N 438.344 4.158 10 1 IICF biogenic CCn1c(O)c(/N=N/C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 101557294 PQLPRDUYWXAGDN-WCWDXBQESA-N 440.525 4.466 10 1 IICF C[C@H](NC(=O)Cc1cncnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 150206290 UDOJXRMQNXMSPY-IBGZPJMESA-N 442.563 4.289 10 1 IICF Cn1nnc(-c2ccc3nc4[nH]c(Cc5ccccc5)nc(Nc5ccc(N)cc5)c-4c3c2)n1 1857590258 PVWCGEDJUDWOSS-UHFFFAOYSA-N 447.506 4.170 10 1 IICF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587067079 MPLGLSIOBWFPKU-UHFFFAOYSA-N 446.846 4.392 10 1 IICF CN(C)c1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2C(N)=S)c2ccccc12 261169315 SOWJUQGPRPFNAI-OAQYLSRUSA-N 432.549 4.072 10 1 IICF CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862697 BEWBVGPOPQDTAO-UHFFFAOYSA-N 433.476 4.240 10 1 IICF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc3c4c(c2)CCCN4CCC3)N1 962709026 LMYXHPDQGPHVEO-PMACEKPBSA-N 434.433 4.232 10 1 IICF COc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1OC 2934295 FMWRDRMIUJQLSK-DFBJGRDBSA-N 432.476 4.112 10 1 IICF COC(=O)c1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)cc1 72136845 ULCYZXOSZLCEKF-RDPSFJRHSA-N 430.460 4.130 10 1 IICF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)C1=O 473098052 FJINHITZXKGZBY-UHFFFAOYSA-N 442.387 4.364 10 1 IICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1OC 587277276 RUZYAYXEBJMIBZ-IQUTYRLHSA-N 434.452 4.401 10 1 IICF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)c1 587924330 SBERRFXGEGACEM-UHFFFAOYSA-N 427.595 4.341 10 1 IICF CCCN(CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2cc(O)c(O)cc2C1 28964182 BTNRAFHTPKZOBC-VWLOTQADSA-N 437.628 4.270 10 1 IICF COc1cc(/N=N/N(C)C)c([C@H](C)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC 31871235 LVRVAPYWIWZBJO-RZJDRKADSA-N 439.536 4.411 10 1 IICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 96934554 SVYROGRKUVXSAG-WNCULLNHSA-N 439.467 4.418 10 1 IICF O=S(=O)(Nc1ccc(O)c(CO)c1)c1ccc(-c2ccc(Br)cc2)cc1 95585730 VZOFZPIDNPTBKA-UHFFFAOYSA-N 434.311 4.115 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275760 GHAKNMIBPQOBLB-GLDPYIMESA-N 445.523 4.438 10 1 IICF COc1cc(CCC(=O)C[C@@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)ccc1O 2356773949 NGXSNYVAZPGPNZ-HXUWFJFHSA-N 428.525 4.357 10 1 IICF CC[C@@H](CC[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356834008 KKYGZUKTEJKOSC-UWJYYQICSA-N 431.529 4.137 10 1 IICF COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(O)cc1 40394596 CHTBUJDZXVYAAY-HXUWFJFHSA-N 435.505 4.360 10 1 IICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(OCC(=O)O)cc4)c1C)[C@@H](C2)C3=O 587431043 LWPGTVXAAJCZKI-NBGIEHNGSA-N 433.460 4.055 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(O)c2Br)N1 587680925 VLTVMQJXNLPZAR-QZTNRIJFSA-N 431.099 4.386 10 1 IICF CN(C)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963180441 NCMMRDUEMICVJE-DYVFJYSZSA-N 443.809 4.021 10 1 IICF Cc1cc(C)c(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c(C)c1 26165748 TYUQHNIMJBIIDX-MHZLTWQESA-N 449.639 4.496 10 1 IICF Cc1cc([C@H](NC(=O)COc2ccccc2)c2cccc([N+](=O)[O-])c2)c(O)c2ncccc12 40918415 JSDDRNJWKMWYJP-HSZRJFAPSA-N 443.459 4.442 10 1 IICF CC(C)=CCCC(C)=CCc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O)cc(O)c1O 2356444668 DAQRMDJZDUGKIX-RPBOFIJWSA-N 440.492 4.422 10 1 IICF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587820468 DLUQZHOUZAKNBZ-GTJPDFRWSA-N 436.321 4.499 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356397203 JGEWTHYRNNQJIV-GNKBHMEESA-N 434.511 4.028 10 1 IICF CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 6576860 QMTLNFNTCKJVJE-DMTNHVFBSA-N 427.633 4.213 10 1 IICF N[C@@H](N=O)c1ccccc1CN(Cc1ccccc1[C@H](N)N=O)c1ccc([C@H](N)N=O)cc1 957680137 SWJZQDFOQGKWEC-ZLNRFVROSA-N 447.499 4.065 10 1 IICF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 29410741 ATZNDGLAPVZOKU-QTIQAUKSSA-N 434.880 4.458 10 1 IICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1O 587610109 PQTQYBOKQXCJKQ-RLWLMLJZSA-N 442.423 4.414 10 1 IICF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C=C(c2ccc(O)c(O)c2)Oc2cccc(O)c21 963641743 XQJGUPHKWLXGJJ-RMKBEBRYSA-N 447.487 4.032 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)OCO4)CC2)N1 587769251 NUCANTXZUGXMHM-CYBMUJFWSA-N 433.321 4.347 10 1 IICF O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2nccc(Br)c12 1857613425 JMNAFTAFDWLERV-UHFFFAOYSA-N 435.372 4.101 10 1 IICF CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(O)c(O)c1)O2 587412749 OFYYNVOQAMARJU-IZZNHLLZSA-N 445.471 4.271 10 1 IICF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)cc2)(c2ccc(O)cc2O)N1 963228406 RSRLJAJJDXXBKH-DHLKQENFSA-N 446.890 4.190 10 1 IICF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)c(O)c1)CC3=O)C[C@H](C(C)(C)O)O2 34706362 GHPCQDAMKFOYPM-WOJBJXKFSA-N 440.492 4.093 10 1 IICF biogenic COC1=CC=Cc2cc(OC)c(OC)c(O)c2[C@]12c1cc(OC)ccc1CCN2C(C)C 962093014 OZROMTXMAXAXBI-SANMLTNESA-N 437.536 4.485 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c(Br)c2)N1 587675710 CQIPACUFLKOVOX-MLXNANBUSA-N 431.099 4.386 10 1 IICF COc1ccc(OC)c([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)c1 82171283 KVKDKWUPDSJELR-CPJSRVTESA-N 432.476 4.361 10 1 IICF COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(O[C@H]2CCOC2)c1 587926026 JSXCGXXNPHUUFV-KRWDZBQOSA-N 441.505 4.177 10 1 IICF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(O)c1 962627503 GLDCZTOICUUGGT-WZONZLPQSA-N 443.421 4.490 10 1 IICF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26163824 COFYUEXZEOUVDJ-XMMPIXPASA-N 442.003 4.224 10 1 IICF COc1cc([C@@H]2CC(c3ccc(O)cc3O)=NN2C(=S)Nc2ccccc2)ccc1O 29044224 ZPMBKMQFORSZLP-IBGZPJMESA-N 435.505 4.360 10 1 IICF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 962906919 RMRMFBUSGSIKIH-HFJWLAOPSA-N 443.430 4.387 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587777029 YQVDYSAARHZASQ-LRTDBIEQSA-N 435.337 4.057 10 1 IICF COc1ccc2c(c1OC)[C@@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)N(C)[C@H](C)C2 962621229 BHTVFWJHPNIUJX-KAZRDHGPSA-N 448.563 4.382 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735165 WTHNYRYIIZAICX-GIGQVBGESA-N 426.257 4.076 10 1 IICF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1 26941634 DKWLXRPIDGOXNI-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CCN1CCN(c2cc(C)c3cc(NC(=O)C=Cc4ccc(OC)cc4)ccc3n2)CC1 1857616016 BYSCWUNLAIWJED-UHFFFAOYSA-N 430.552 4.346 10 1 IICF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)c(OC)c1OC 35013078 PETDZKZTNGLKHQ-FQEVSTJZSA-N 447.491 4.113 10 1 IICF CCS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587277186 QFRVWLIEYGMXJE-VWKPWSFCSA-N 438.509 4.400 10 1 IICF CNS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 1857583346 JLHOWNWDSULDRX-UHFFFAOYSA-N 443.532 4.440 10 1 IICF COC(=O)c1ccc([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)cc1 72136848 ULCYZXOSZLCEKF-HYBUGGRVSA-N 430.460 4.130 10 1 IICF Cc1oc2c(c1C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)c1ncccc1C2=O 1857759930 PAKVDMXZHDSARH-UHFFFAOYSA-N 448.431 4.325 10 1 IICF COc1ccc2[nH]c(CN3CCc4cc(Br)ccc43)c(CCNC(C)=O)c2c1 40379495 BAJRMGIGHLXDAM-UHFFFAOYSA-N 442.357 4.180 10 1 IICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1O 587610106 PQTQYBOKQXCJKQ-LVXARBLLSA-N 442.423 4.414 10 1 IICF O=[N+]([O-])c1cc(O)c(O)c([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963831336 FSUDAMRLWLSMML-JOCHJYFZSA-N 431.448 4.301 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587742555 ARKHJYUOAFVGSW-JEOXALJRSA-N 430.281 4.023 10 1 IICF O=C(c1cc(-c2ccccc2O)on1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295616 CVKWDOFHMOYATG-HXUWFJFHSA-N 426.432 4.139 10 1 IICF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586924884 BURWCELQKDQRBY-UHFFFAOYSA-N 435.505 4.156 10 1 IICF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 653691044 AGMQXLODFTUEKV-NOZRDPDXSA-N 448.519 4.314 10 1 IICF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587820474 DLUQZHOUZAKNBZ-LAJNKCICSA-N 436.321 4.499 10 1 IICF Nc1ccc(Oc2ccc3nc(CCN(CCC(=O)O)Cc4ccccc4)[nH]c3c2)cc1 587193535 LCCFVWJLVZBKTE-UHFFFAOYSA-N 430.508 4.457 10 1 IICF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)c(O)c1)CC3=O)C[C@@H](C(C)(C)O)O2 34706364 GHPCQDAMKFOYPM-UXHICEINSA-N 440.492 4.093 10 1 IICF biogenic COc1ccc([C@@H]2C[C@]3(NCCc4cc(C)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O 962150225 YDBJISSASLVWGV-UKILVPOCSA-N 437.467 4.173 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(CO)CC3)cc2)N1 587770237 RQWXGLNXKWXCNA-FPTDNZKUSA-N 433.365 4.421 10 1 IICF COc1ccc(N2CC[C@]3(C2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc23)cc1 962963607 ZUCMVZXNSNRBPV-HSZRJFAPSA-N 432.486 4.471 10 1 IICF CC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841850 MVRWKMNDFGGSIA-UHFFFAOYSA-N 434.521 4.009 10 1 IICF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(-c3cncnc3)c2)SC1=S 96929610 MISNNILJBGFZQV-WKRCLWGVSA-N 447.541 4.041 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823812 RRKBWAJLFYTXJH-XFNZEKPQSA-N 428.301 4.423 10 1 IICF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)c(Cl)c2)cc1 1857741915 ZOCBKLKCLNCENK-DLBZAZTESA-N 425.882 4.044 10 1 IICF O=C(OCCCCCCCCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 49807830 CNLXSCDIMLYWSJ-UHFFFAOYSA-N 432.469 4.254 10 1 IICF COc1cc(/N=N/N(C)C)c([C@@H](C)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC 1649537 LVRVAPYWIWZBJO-HNSMJWMHSA-N 439.536 4.411 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(Br)Br)[nH]c21 587087111 LYHWMOXVEBHFSA-UHFFFAOYSA-N 438.050 4.208 10 1 IICF CC(=O)Nc1ccc(O)c([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)c2ccncc2)c1 653806240 HLVSOUDQJICPQZ-OAQYLSRUSA-N 434.883 4.391 10 1 IICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)C[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963112451 SVDOWHTWEPLPTE-XEVPPGCJSA-N 449.478 4.436 10 1 IICF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2)cc1 113624657 MNBUDSSLSRYWHX-UHFFFAOYSA-N 441.940 4.367 10 1 IICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@H]2C)cc1 504716778 QCFMNECCTNFCRH-PCBLNTCTSA-N 436.596 4.440 10 1 IICF biogenic Cn1cccc1CN1CCc2sccc2C12c1c(O)cccc1C(=O)c1cccc(O)c12 962373567 NFZAAWKXHVQBNI-UHFFFAOYSA-N 442.540 4.392 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356397206 JGEWTHYRNNQJIV-USZFVNFHSA-N 434.511 4.028 10 1 IICF COc1ccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)cc1 73387394 DZABUUQKJLGNOD-UHFFFAOYSA-N 430.430 4.067 10 3 IICF COc1ccc(C(=O)n2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 64436956 UXBCZOWHEVFCPP-VWLOTQADSA-N 437.499 4.485 10 1 IICF COc1ccc2c(c1OC)[C@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)N(C)[C@@H](C)C2 962621237 BHTVFWJHPNIUJX-NTCXVLBQSA-N 448.563 4.382 10 1 IICF Cc1cc2c(n1-c1cccc(C(=O)O)c1)CC(C)(C)C[C@@]21NCCc2nc3ccccn3c21 962990717 TUBSFJOBWDKOQC-HHHXNRCGSA-N 440.547 4.493 10 1 IICF CC(C)=CCCC(C)=CCc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc(O)c1O 2356444665 DAQRMDJZDUGKIX-DQEYMECFSA-N 440.492 4.422 10 1 IICF CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 587412748 OFYYNVOQAMARJU-FTJBHMTQSA-N 445.471 4.271 10 1 IICF O=C(O)c1cc(-c2ccc(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 73139146 KPLKOPPJSBWWOY-UYRXBGFRSA-N 436.851 4.434 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587770724 STLXLOYTPRVJEJ-RCDICMHDSA-N 433.365 4.347 10 1 IICF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccc2ccccc2c1 84655545 ODOVFEAOMXQYRN-UHFFFAOYSA-N 449.517 4.164 10 1 IICF COC(=O)c1c(O)ccc2c1c1c(n2CCc2ccccc2)C(=O)c2ccccc2C1=O 1663093 JSXOGZUQZKVLMN-UHFFFAOYSA-N 425.440 4.152 10 1 IICF COc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1OC 2934289 FMWRDRMIUJQLSK-KBMIEXCESA-N 432.476 4.112 10 1 IICF COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)nn4C)n3)CC2(C)C)cc1 53193528 VAYXTORBXXYONA-UHFFFAOYSA-N 449.603 4.365 10 1 IICF Oc1ccc(CCNCCCCCCNCCc2ccc(Br)cc2)cc1O 45209916 LNORRXABKAKBRQ-UHFFFAOYSA-N 435.406 4.385 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587725075 NBEPKZQFEPKTEJ-ZSEKCTLFSA-N 436.344 4.103 10 1 IICF C[C@H](CCCCC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H](O)c1ccc(O)c(O)c1 27558216 NQHCZBDEMVZAEJ-VLIAUNLRSA-N 440.462 4.327 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587765907 FAPRVTPFYAUCEB-RCDICMHDSA-N 433.365 4.347 10 1 IICF CC(=O)O[C@H]1C(=O)C(=O)c2c(cc(C)c(Br)c2O)[C@H]2[C@@H](C(C)C)CC[C@@]12C 15267060 RIFRKOGZXWRBEW-FSKQDFAOSA-N 437.330 4.316 10 1 IICF O=C1C2=Cc3cc(Br)ccc3OCC2=NN1c1ccc(Br)cc1 103257009 RVHGRBJLVXIDMA-UHFFFAOYSA-N 434.087 4.390 10 1 IICF Cc1c(F)ccc2c1[C@]1(NCC2)c2c(O)cccc2Oc2cc3c(c(O)c21)[C@@H]1C=CO[C@@H]1O3 962372860 IAQQXETWCPHDJE-XFPFGQSGSA-N 445.446 4.435 10 1 IICF Cc1nc(C(F)(F)F)ncc1/C=C/C(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58590497 JOEDSYOQGDJBPB-NSCUHMNNSA-N 448.228 4.120 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275766 GHAKNMIBPQOBLB-IMWIBFENSA-N 445.523 4.438 10 1 IICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1OC 587277274 RUZYAYXEBJMIBZ-BIENJYKASA-N 434.452 4.401 10 1 IICF COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)no2)c1 71282299 RISYHKUHNQHYMW-JOCHJYFZSA-N 440.459 4.442 10 1 IICF Oc1ccc(O)c([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1Br 961314947 BERAPNUEXJDLDR-MRXNPFEDSA-N 425.120 4.391 10 1 IICF CCCCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(O)c1 962711540 SMLPYJYJGXJCJL-MJGOQNOKSA-N 427.394 4.417 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2O)N1 587679252 QGKLJKGEGUDDFC-NZFNHWASSA-N 431.099 4.386 10 1 IICF COc1ccc2c(c1)CC[C@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21 13643291 UIDZLCOJXTUNII-VWLOTQADSA-N 443.591 4.495 10 1 IICF O=C(/C=C/c1ccc(N2CCc3cc(O)ccc3[C@H]2c2ccccc2)cc1)N1CCOCC1 26657413 AOQCXARLJLESBQ-MLOZSTENSA-N 440.543 4.416 10 1 IICF COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738482 AVZXVAZOXIUAPE-HQCXJGOFSA-N 435.337 4.156 10 1 IICF Cc1ccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(O)c1 962627502 GLDCZTOICUUGGT-MBSDFSHPSA-N 443.421 4.490 10 1 IICF CN(C)c1ccc(CN(C)c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)cc1 95575143 NDRQANRDHWQSMB-UHFFFAOYSA-N 438.431 4.286 10 1 IICF Cc1cc(C(=O)N(C)C)c(C)n1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 653724803 XYUPRZLGCGNYDJ-LJQANCHMSA-N 448.519 4.326 10 1 IICF CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C[C@@H](C(C)(C)O)O2 14695765 YOKJEIDBLPWOSL-IBGZPJMESA-N 438.476 4.160 10 1 IICF biogenic,in-vitro O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 113623990 RTKDFNSPSDEHEI-UHFFFAOYSA-N 439.880 4.422 10 1 IICF [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587341276 YMWSNOUWVTYWOB-URXFXBBRSA-N 444.422 4.443 10 1 IICF Cc1nc(-c2cnccn2)sc1C(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295498 HJKASTJWCRVZNI-LJQANCHMSA-N 442.504 4.001 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)ccc2O)N1 587735146 WLTDXPDBKZVMOE-OVWNDWIMSA-N 426.257 4.076 10 1 IICF [N-]=[N+]=NCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 36402954 DZZQBBYGNCJQAK-UHFFFAOYSA-N 436.419 4.058 10 1 IICF COc1ccc(N2CCN(c3nc4cc(C(=O)O)ccc4nc3-c3ccccc3)CC2)cc1 116230370 CLSXIBQTHKVJFG-UHFFFAOYSA-N 440.503 4.330 10 1 IICF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)c1ccon1 149645446 MFZWMBPXZWKETJ-SFHVURJKSA-N 431.536 4.428 10 1 IICF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl 100020360 FJXJGORIJLCIAF-QTIQAUKSSA-N 434.880 4.458 10 1 IICF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 587491072 MZDAJDNOTOJHGC-OZXSUGGESA-N 446.455 4.319 10 1 IICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(C(=O)O)c2)o1 34636637 WLQHOGLZWOBWFG-BOPFTXTBSA-N 434.379 4.288 10 1 IICF in-vivo COc1cc(OC)c(C(=O)c2ccccc2Br)c(O)c1CN1CCCCC1 49072317 FNSSMPKCQXYKTF-UHFFFAOYSA-N 434.330 4.389 10 1 IICF Nc1ccc(N2CCN(c3nc(NCc4ccc(F)cc4)c4ccccc4n3)CC2)cc1 299821988 CUNPEBFADRUVQN-UHFFFAOYSA-N 428.515 4.290 10 1 IICF COc1ccc2c(c1OC)[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)N(C)[C@@H](C)C2 962561565 DGVWBAJGANAGMX-DYZYQPBXSA-N 437.290 4.046 10 1 IICF Cc1cc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)c(C)n1-c1ccccc1F 587922254 MMURVKTYSNZJLS-UHFFFAOYSA-N 447.539 4.355 10 1 IICF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 95577315 VVYOUJKKGNZORZ-HXUWFJFHSA-N 438.355 4.351 10 1 IICF CCCNC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 299871016 XNDQAJKFCCTZDX-UHFFFAOYSA-N 428.529 4.064 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c(Br)c2)N1 587679756 SFEJAEXQQORUDG-MLXNANBUSA-N 431.099 4.386 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnn4cccc(Br)c34)[nH]c21 587006811 PNPGLWXYZUYLDO-UHFFFAOYSA-N 443.260 4.416 10 1 IICF O=C(O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 13537307 XABTYWHHSKRZDS-QUCCMNQESA-N 428.824 4.064 10 1 IICF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 587344054 FJBHNOMSYXWWJJ-GBXCKJPGSA-N 434.423 4.402 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(N)c2O)N1 587679662 NCPOCCQVIDJLRN-WNWIJWBNSA-N 444.142 4.436 10 1 IICF C[C@@H](CCCCC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H](O)c1ccc(O)c(O)c1 27556554 YTLNSFLDZLUTKR-VBKZILBWSA-N 440.462 4.327 10 1 IICF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc3c(c2)OCO3)[C@@H]1CO 95878781 QJGLWAWSUWUBCM-CHZKFRDHSA-N 446.547 4.387 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(O)c2Br)N1 587681897 YGRFRDKPIXMQCO-VGDKGRGNSA-N 431.099 4.386 10 1 IICF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821328 HQSMAUUCULPIKF-QKVFXAPYSA-N 436.321 4.499 10 1 IICF CCCC[C@H](CC1=CCN=C1)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356872721 ZAXFAKYFMNJFQG-KNQAVFIVSA-N 431.529 4.137 10 1 IICF Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 1857741987 VYBKTUCFFKTPCF-UHFFFAOYSA-N 440.546 4.313 10 1 IICF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21c2ccc(F)cc2C[C@H]2CCCN21 963100687 IUSSVSDQPAGGMI-CRYYWNKWSA-N 445.490 4.411 10 1 IICF CCCSc1nc(Sc2nccs2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857762584 RWVRMOCJQXMQHH-UHFFFAOYSA-N 427.580 4.345 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587725072 NBEPKZQFEPKTEJ-ASSNKEHSSA-N 436.344 4.103 10 1 IICF O=c1oc(-c2ccc(C(F)(F)F)cc2-n2ccnc2)nn1Cc1cc(Cl)ccc1O 35242381 WABFQTRUZJUTES-UHFFFAOYSA-N 436.777 4.115 10 1 IICF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1 1708226 CGZQOOMOYSCWDN-IJOGZLALSA-N 428.448 4.231 10 1 IICF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(C(C)C)CC2)cc1 169331077 UFYVEHVXCZOXBS-UHFFFAOYSA-N 439.991 4.011 10 1 IICF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586940755 FGETVSCYIXJWAI-SEYXRHQNSA-N 434.521 4.336 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(O)c2Br)N1 587680923 VLTVMQJXNLPZAR-GYKQLYQFSA-N 431.099 4.386 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587724036 DJMDERCPXRQVMK-ZSEKCTLFSA-N 436.344 4.103 10 1 IICF COc1ccc(C[C@H]2c3cc(O)c(O)cc3C[C@@H]3c4cc(OC)c(O)cc4CCN23)cc1 85877342 PLJKSYZIJVDEAZ-FCHUYYIVSA-N 433.504 4.260 10 1 IICF biogenic O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 299830095 MMHPZJIEUOSIDD-KTKRTIGZSA-N 447.407 4.208 10 1 IICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N2CCOCC2)c1 27204210 ZGUVRRSERJHWLO-UHFFFAOYSA-N 448.548 4.340 10 1 IICF CN(C)CCCOc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 28643203 CBEFMPLKIOMHJH-UHFFFAOYSA-N 425.488 4.336 10 1 IICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Br)cc1 49109760 NFRCGHLUIIYVLO-UHFFFAOYSA-N 449.286 4.475 10 1 IICF Cn1c(C(=O)Nc2ccccc2COc2ccc(N3CCNCC3)cc2)cc2sccc21 1772599761 GIEPGPXCRBVTMH-UHFFFAOYSA-N 446.576 4.481 10 1 IICF C[C@@H]1CC=C2[C@@H](CCCC2(C)C)[C@@]1(C)Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)O 14710004 SWQYHJQOVFWSLJ-OLPMXTGOSA-N 438.542 4.433 10 1 IICF biogenic CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C)c2)cc1 38839491 PSOOXYMCDZECJX-UHFFFAOYSA-N 428.897 4.278 10 1 IICF COCCn1nc(C(=O)c2ccccc2NCc2ccc3cn[nH]c3c2)c2ccccc21 40896122 NXXTWHUWQHEIKP-UHFFFAOYSA-N 425.492 4.402 10 1 IICF COc1ccc(N2CCN(C)CC2)cc1Nc1ncc(F)c(Nc2ccc(F)cc2)n1 653768946 CUOAVZSCGCGQOW-UHFFFAOYSA-N 426.471 4.002 10 1 IICF O=C(Nc1ccc(CC[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccc(F)cc1 1857761840 YMTPZXQXVZPHEK-RYHDWCGISA-N 425.481 4.451 10 1 IICF Cc1ccccc1-n1[nH]c(C)c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1=O 169319683 OZBDQEZQGQEWMU-GHVJWSGMSA-N 438.465 4.303 10 1 IICF COC(=O)c1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587756165 RDXPPTVIXJACEI-JEOXALJRSA-N 431.305 4.490 10 1 IICF COc1cc(C2=NN(C(=O)Oc3ccccc3)[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O 1857611444 CYRQHRFOLPQMIP-LJQANCHMSA-N 434.448 4.465 10 1 IICF CCCCCc1cc2cc3c(c(O)c2c(=O)[nH]1)C1(CCC3)C(=O)c2c(O)ccc(O)c2C1=O 17259257 UCTIZVSIQQUEHW-UHFFFAOYSA-N 447.487 4.031 10 1 IICF CN(C)c1ccc2c3c(n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1)-c1ccccc1C3=O 95552324 VZFRHMMCRUFHCK-UHFFFAOYSA-N 447.535 4.194 10 1 IICF COC(=O)c1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C 587580072 WWPYKYMMMUFBEI-HYBUGGRVSA-N 429.428 4.373 10 1 IICF COc1ccc(C[C@@]2(c3ccc(O)cc3O)NCCc3c(OC)ccc(Cl)c32)cc1 963270657 QLHAEDFPGBVWQL-DEOSSOPVSA-N 425.912 4.400 10 1 IICF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2c1 587785511 NDOLEBRJBFKTJI-PLNGDYQASA-N 433.258 4.092 10 1 IICF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCCO)Cc2ccccc2)c1 13863523 RIURYJFICKLHHI-ZQHSETAFSA-N 439.951 4.407 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587725107 NONMLEVFQIXAAW-ZSEKCTLFSA-N 436.344 4.103 10 1 IICF COc1cc(O)ccc1S(=O)(=O)Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1 40916200 BOUSUECCXOWJBT-UHFFFAOYSA-N 437.473 4.433 10 1 IICF CN1OC[C@@H]2CN(Cc3ccc4c(c3)OCO4)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 72104581 SGHUCSJRSXPCST-XWGVYQGASA-N 435.568 4.214 10 3 IICF COc1ccc([C@@H]2C[C@@]3(NCCc4cc(C)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O 962150227 YDBJISSASLVWGV-ZCYQVOJMSA-N 437.467 4.173 10 1 IICF N[C@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586984453 QIZXTQPFUGCKPG-QGZVFWFLSA-N 446.304 4.343 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2O)N1 587677665 LDEQVYYXAHEPAV-ZIDLFYJRSA-N 431.099 4.386 10 1 IICF C[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C=C(c2ccccc2F)NO1 587158352 WPGAKHWRIFDIMC-VWLOTQADSA-N 425.419 4.269 10 1 IICF CCN(CC)Cc1cc(Nc2ccc3ncc(-c4ccc([S@@](C)=O)cc4)n3n2)ccc1O 1857615972 SCWJXLSHTFTKIU-JGCGQSQUSA-N 449.580 4.425 10 1 IICF Cc1c(C(=O)N(C)C(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 40899601 SHTINMMAYQAQJE-UHFFFAOYSA-N 445.972 4.234 10 1 IICF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761988 IOULJEZUMMLQPF-XMSQKQJNSA-N 447.457 4.494 10 1 IICF CC1=NC(NCc2ccccc2)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 169723129 HUQAFLHLFALZQW-ZEQRLZLVSA-N 442.519 4.323 10 1 IICF COc1ccc([C@@H]2[C@H](Oc3ccccc3)CN2c2cc(OC)c(OC)c(OC)c2)cc1O 653692829 RHBNZNDMRDTQCK-DNQXCXABSA-N 437.492 4.436 10 1 IICF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)c(O)c1)O2 2356512454 UESFDRVOHWXYIQ-RPBOFIJWSA-N 440.492 4.422 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CCN(c4nccnc4Cl)CC3)[nH]c21 587084797 IEWSLDBBTYQCAF-UHFFFAOYSA-N 443.894 4.166 10 1 IICF CCCN1[C@@H](C)Cc2ccccc2[C@@]12c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O 963237660 YPUGJNRYSXEJCZ-ZLEBMSQWSA-N 431.532 4.493 10 1 IICF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 82190191 KAXUDDWKXOUTKR-UHFFFAOYSA-N 434.569 4.414 10 1 IICF COc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc(O)c1O 587786793 XEZBJRRKRTYADW-NSCUHMNNSA-N 441.079 4.073 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)cc2O)N1 587675467 BSXJOMMFGCRWMR-GYKQLYQFSA-N 431.099 4.386 10 1 IICF CC(=O)Oc1ccc(O)c([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962958918 QMMVZFKZHSJXAE-NRFANRHFSA-N 435.442 4.251 10 1 IICF CCN(CC)c1ccc(/C=C/c2cc(=[N+]3CCOCC3)c3ccccc3n2C)c(OC)c1 1772650525 LXDVMQFTWCWPHS-UHFFFAOYSA-N 432.588 4.006 10 1 IICF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1O 587610108 PQTQYBOKQXCJKQ-QFQXNSOFSA-N 442.423 4.414 10 1 IICF O=C(CCSC(=S)NCc1cccnc1)c1c(-c2ccccc2)nn2ncccc12 1857547971 RKTQYONBPKLPEL-UHFFFAOYSA-N 433.562 4.172 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587725286 OPFNAYAXHDBUSM-YEJXKQKISA-N 437.328 4.362 10 1 IICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 49035072 KUWKTDNCPAOIIV-UHFFFAOYSA-N 449.832 4.274 10 1 IICF CN1OC[C@@H]2CN(C(=O)NC3CCCCC3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 95570674 LGLGFICHKBTEMV-OYDLWJJNSA-N 426.605 4.328 10 3 IICF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 587344058 FJBHNOMSYXWWJJ-RDPSFJRHSA-N 434.423 4.402 10 1 IICF CCCN1[C@H](C)Cc2ccccc2[C@]12c1c(O)cc(O)cc1O[C@H](c1ccccc1)[C@H]2O 963237650 YPUGJNRYSXEJCZ-NEGKNNBRSA-N 431.532 4.493 10 1 IICF Cc1cc2c(cc1C)-c1oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c1C(=O)C2=O 1857749754 LUCVOLYBWQUGEI-UHFFFAOYSA-N 442.515 4.209 10 1 IICF Cc1cn(-c2ccc(-c3ccc(CCC(=O)O)n3-c3ccc(C(N)=O)cc3C)cc2)cn1 72124978 OGUPGIOVHMLHEW-UHFFFAOYSA-N 428.492 4.063 10 1 IICF CC[C@H](CC[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356834007 KKYGZUKTEJKOSC-UTKZUKDTSA-N 431.529 4.137 10 1 IICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C)cc1 72123496 MZYAMXOINKHBIN-UHFFFAOYSA-N 428.492 4.063 10 1 IICF CN(C)c1ccc([C@@H]2NC(=O)NC(c3ccc(S(C)(=O)=O)cc3)=C2c2ccccc2)cc1 103262500 HEWURLDBOMBSBW-QHCPKHFHSA-N 447.560 4.079 10 1 IICF COc1ccc(N2CCN[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 95598574 VDPOPYFAETYXQK-MRXNPFEDSA-N 443.594 4.023 10 1 IICF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(N(C)CCO)cc5)nc4c3)o2)cc1 587193274 WURDGHXQCBAYRQ-UHFFFAOYSA-N 441.491 4.384 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2O)N1 587679248 QGKLJKGEGUDDFC-MLXNANBUSA-N 431.099 4.386 10 1 IICF CN(C)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963180443 NCMMRDUEMICVJE-GUYCJALGSA-N 443.809 4.021 10 1 IICF Cc1sc2c(c1C)CCN[C@@H]2c1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 963034355 YNPYVKYUMVEOCZ-HXUWFJFHSA-N 430.570 4.435 10 1 IICF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C2=NC(=O)CS2)c(OC)c1 1772625321 ITVCVBKKWFNUDS-LJQANCHMSA-N 447.516 4.343 10 1 IICF COc1nnc(Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c2ccccc12 27893636 RIHLEBATZVVEKR-UHFFFAOYSA-N 433.556 4.279 10 1 IICF Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1 64549647 ZJRBDUXTOJWXLZ-UHFFFAOYSA-N 426.564 4.068 10 1 IICF CN(C)c1cccc(-c2c(F)cc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2F)c1 1911585945 DIQAKQHNMJSKDT-UHFFFAOYSA-N 430.414 4.054 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)cc2O)N1 587678565 OGURDUBMKTXIES-HYORBCNSSA-N 431.099 4.386 10 1 IICF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587194889 ZFGZINLIVUHZEH-LJQANCHMSA-N 425.533 4.455 10 1 IICF Cc1cccc2c1[C@]1(CCc3cc(O)c(O)cc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963855647 SMVSSOBXCWUHLX-CRICUBBOSA-N 439.508 4.233 10 1 IICF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1c(O)n(C)c2ccccc12 13110448 AZRRRLFCNKCHJQ-QZQOTICOSA-N 431.474 4.238 10 1 IICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 49089885 VVZJXKNAWQWTEF-UHFFFAOYSA-N 449.832 4.274 10 1 IICF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccc(OC)cc3)CC2)o1 53226460 RBLNWJMOLVPPAV-UHFFFAOYSA-N 434.584 4.215 10 1 IICF COc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4C[C@H]5CCCC[C@H]5C4)cc3)n2c1 1857602363 HEGBFMMPBZJIHZ-BGYRXZFFSA-N 448.567 4.087 10 1 IICF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 45302103 SENCZOBTDUBUTI-UHFFFAOYSA-N 445.855 4.089 10 1 IICF CC[C@@H](CC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356553315 VNJRDWDXDDWSCC-LAUBAEHRSA-N 431.529 4.307 10 1 IICF Cn1cc2c(n1)CCc1c-2c2c(c3c4cc([C@H]5CCCCO5)ccc4n(C)c13)CNC2=O 49793024 SOTJITWYMJJIBQ-OAQYLSRUSA-N 426.520 4.316 10 1 IICF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 587484305 SNOUOGUXQQOTCN-CLJLJLNGSA-N 446.455 4.477 10 1 IICF O=C1C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 3953340 LEAVOABWLLTKQR-UHFFFAOYSA-N 428.404 4.091 10 1 IICF CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587413105 PWFLNKVJGSYRHN-BVAGGSTKSA-N 445.471 4.114 10 1 IICF COc1c(Cl)c(C)cc2cc(O)c3c(c12)C(=O)c1cc2c(c(O)c1C3=O)[C@H](C)OC2=O 28973515 RSSUHOCYQSARQQ-QMMMGPOBSA-N 438.819 4.228 10 1 IICF biogenic,in-vivo O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2c(O)ccc(F)c2Cl)N1 962920403 FITPCBQUNZOBIU-LAUBAEHRSA-N 429.831 4.371 10 1 IICF O=S(=O)(c1cc(Cl)ccc1Cl)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 13737771 PKYATXUWDFGDBE-UHFFFAOYSA-N 440.260 4.161 10 1 IICF COc1ccc2c(c1OC)[C@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)N(C)[C@H](C)C2 962622232 BHTVFWJHPNIUJX-RFZLZEPESA-N 448.563 4.382 10 1 IICF COc1ccc(C[C@]2(c3ccc(O)cc3O)NCCc3c(OC)ccc(Cl)c32)cc1 963270659 QLHAEDFPGBVWQL-XMMPIXPASA-N 425.912 4.400 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(O)CC3)cc2)N1 587765904 FAPRVTPFYAUCEB-FPTDNZKUSA-N 433.365 4.347 10 1 IICF COc1cc(O)c(C(=O)NCCc2ccc(O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2 103234459 QFLCKIOOLVCIDZ-UHFFFAOYSA-N 437.536 4.252 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(Br)cc2O)N1 587677649 LCLVILVPDKOECP-GYKQLYQFSA-N 431.099 4.386 10 1 IICF Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)S2 73242848 YQXBNZFUGJWMHY-ZDLGFXPLSA-O 438.510 4.220 10 1 IICF COc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1OC 2934292 FMWRDRMIUJQLSK-UQBPGWFLSA-N 432.476 4.112 10 1 IICF O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 8435428 XVLQZWSQEMKEIL-YBEGLDIGSA-N 443.242 4.413 10 1 IICF CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82181291 YRRQJAPVUJYQBJ-OAQYLSRUSA-N 445.615 4.400 10 1 IICF Cc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 587407652 DMPSCTMXEDQWHK-RPBOFIJWSA-N 431.444 4.017 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)(C2C(=O)c3ccccc3C2=O)N1 587823809 RRKBWAJLFYTXJH-RKFFSXRUSA-N 428.301 4.423 10 1 IICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(O[C@@H](C)C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587430926 LERSNOQDBLFIQQ-HHCYOLOASA-N 447.487 4.443 10 1 IICF COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(C)cc3)nc12 1772577617 IKGJJGHJMYEUFB-UHFFFAOYSA-N 441.553 4.246 10 1 IICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 96934555 SVYROGRKUVXSAG-YIXXDRMTSA-N 439.467 4.418 10 1 IICF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3cccc(Br)c3)c12 72176114 BGIMDYQSIUXGAT-UHFFFAOYSA-N 429.222 4.405 10 1 IICF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C(F)(F)F)cc1 73276680 SCBMAKTTYLFTBX-UHFFFAOYSA-N 432.398 4.288 10 1 IICF CCn1c(O)c(N=NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 253920735 PQLPRDUYWXAGDN-UHFFFAOYSA-N 440.525 4.466 10 1 IICF O=C(/C=C/C=C/c1ccc(O)c(O)c1)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 653707748 NQCZBXLKMMDJHL-CXHUGHNWSA-N 443.547 4.135 10 1 IICF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356397205 JGEWTHYRNNQJIV-MZKUHISZSA-N 434.511 4.028 10 1 IICF CC1=C(C(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)CNCC1 40421140 KWVRZYCMJDHZQT-UHFFFAOYSA-N 443.881 4.303 10 1 IICF O=C(NS(=O)(=O)C1CC1)c1ccc2c(C3CCCCC3)c3n(c2c1)CCCCC3=O 1857561112 CIMDUYZSCIASGD-UHFFFAOYSA-N 428.554 4.278 10 1 IICF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN[C@@H](C)c4ccccc4)c3O)O2)cc1O 653792879 HVERKENBPJCWKG-FPTDNZKUSA-N 435.476 4.369 10 1 IICF COc1cc2c(cc1OC)[C@](C)(c1c(O)c(OC)c3occc3c1OC)N(C)[C@@H](C)C2 962642688 WHMYBAYBCICPSN-RKNYENMMSA-N 427.497 4.313 10 1 IICF CN(C)c1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963180446 NCMMRDUEMICVJE-SUMWQHHRSA-N 443.809 4.021 10 1 IICF COc1cc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c(O)cc1O 961782805 KQQVRTIFZVUKLB-JOCHJYFZSA-N 426.513 4.347 10 1 IICF CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1coc2c([N+](=O)[O-])cc(F)cc2c1=O 299826611 QUIGXVYFUMKJHU-PJQLUOCWSA-N 427.775 4.300 10 1 IICF COC(=O)c1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587756167 RDXPPTVIXJACEI-NSPYISDASA-N 431.305 4.490 10 1 IICF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)cc2)(c2ccc(O)cc2O)N1 963228423 RSRLJAJJDXXBKH-RDGATRHJSA-N 446.890 4.190 10 1 IICF COC(=O)c1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C 587580065 WWPYKYMMMUFBEI-GBXCKJPGSA-N 429.428 4.373 10 1 IICF COc1cc(OC)cc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C2=NC(=O)CS2)c1 1772624193 XKIAYKWGMOCFRY-FQEVSTJZSA-N 447.516 4.343 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(F)c2)N1 587725105 NONMLEVFQIXAAW-LRTDBIEQSA-N 436.344 4.103 10 1 IICF CO/N=[N+](/[O-])c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 58502068 FFBJTVWUEHZDEN-WJTDDFOZSA-N 440.403 4.117 10 1 IICF COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 26842288 KNYLSAXQGSKKBU-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CC(C)CN(Cc1ccc(N2CCC(N(C)C)CC2)cc1)S(=O)(=O)Cc1ccccc1 224297890 HFELCRNAZMDLJM-UHFFFAOYSA-N 443.657 4.205 10 1 IICF COc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4C[C@@H]5CCCC[C@H]5C4)cc3)n2c1 1857602364 HEGBFMMPBZJIHZ-PMACEKPBSA-N 448.567 4.087 10 1 IICF CN(C)c1ccc([C@H](CC(=O)c2c(O)n(C)c3ccccc3c2=O)Nc2cccnc2)cc1 3846609 REVMRGHMNGWAMD-NRFANRHFSA-N 442.519 4.131 10 1 IICF biogenic Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OCc1cc(F)c(F)c(F)c1)C2 49050380 HXEMBMBXNRXMHN-RBBKRZOGSA-N 434.366 4.188 10 1 IICF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586962821 HXLYCNBQASMKNX-INIZCTEOSA-N 430.489 4.386 10 1 IICF CC[C@]1(c2ccccc2O)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963142758 OULYBOTWVBGYEU-SANMLTNESA-N 432.520 4.344 10 1 IICF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(O)c1 962627501 GLDCZTOICUUGGT-JPYJTQIMSA-N 443.421 4.490 10 1 IICF COc1cc(C2=NN(C(=O)Oc3ccccc3)[C@H](c3ccc(O)c(OC)c3)C2)ccc1O 1857611443 CYRQHRFOLPQMIP-IBGZPJMESA-N 434.448 4.465 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc(Cl)cnc3Br)[nH]c21 587005613 MZLPUBLRFQECSD-UHFFFAOYSA-N 439.656 4.211 10 1 IICF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc5c(c4[nH]1)C(=O)c1ccccc1C5=O)(C3)C2 587951030 QKAMAPXGZFNBJF-WYSDGSMNSA-N 440.499 4.492 10 1 IICF COc1cc2nc3c(cc2c(CN2CCN(C)CC2)c1O)CSc1cc(F)ccc1-3 43076770 QPGBPZZEMJEKJP-UHFFFAOYSA-N 425.529 4.108 10 1 IICF Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCN(c2ccncn2)CC1 45288155 NBMKXKHRZJDJHI-UHFFFAOYSA-N 446.942 4.450 10 1 IICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1csc(-n2ccnc2C)c1 72124269 UTOIZMDJHRBGQA-UHFFFAOYSA-N 434.521 4.124 10 1 IICF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc[n+]2[O-])cc1 147002624 NKFIIBNFBHUUBL-UHFFFAOYSA-N 444.940 4.303 10 1 IICF COc1ccc(C[C@H]2c3cc(O)c(O)cc3C[C@H]3c4cc(OC)c(O)cc4CCN23)cc1 14443938 PLJKSYZIJVDEAZ-VXKWHMMOSA-N 433.504 4.260 10 1 IICF biogenic COc1cc(C[C@@H]2c3cc(O)c(O)cc3CCN2Cc2ccccc2)cc(OC)c1OC 29312817 KQHZCEHMSOQMKM-OAQYLSRUSA-N 435.520 4.466 10 1 IICF Cc1nn(Cc2ccccc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 13864593 SIRHUCVPUZXVEG-GHVJWSGMSA-N 438.465 4.466 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c21 587040877 ISTAJZNVPPFRJK-UXHICEINSA-N 425.513 4.285 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(Br)cc2O)N1 587680126 SLZWAODKEKKRAP-QZTNRIJFSA-N 431.099 4.386 10 1 IICF CCCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(O)c1 962711544 SMLPYJYJGXJCJL-PKOBYXMFSA-N 427.394 4.417 10 1 IICF COc1ccc2c(c1)C(=O)c1nnn(-c3cc(F)c(-c4ccccc4F)c(F)c3)c1C2=O 1911582479 MWOSZXMBJJTKJN-UHFFFAOYSA-N 435.361 4.136 10 1 IICF CN1CCN(c2ccc(/N=N/c3nc(OCc4ccccc4)c4nc[nH]c4n3)cc2)CC1 95597341 XCYCLMGBKCGPNT-ZQHSETAFSA-N 428.500 4.099 10 1 IICF CCOc1ccccc1C=CC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 1857621563 HJFOMMLRGYCWDM-UHFFFAOYSA-N 430.552 4.346 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2F)N1 587725074 NBEPKZQFEPKTEJ-YEJXKQKISA-N 436.344 4.103 10 1 IICF Nc1ccc(Oc2ccc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3c2)cc1 586923133 ZBVULJAJVJXBRC-UHFFFAOYSA-N 433.533 4.443 10 1 IICF Cn1cnc2c(NCc3ccc(N)cc3)nc(NCc3cccc(C(F)(F)F)c3)nc21 87722001 KHZAOWUHQARJQE-UHFFFAOYSA-N 427.434 4.189 10 1 IICF COc1cc(Nc2c3ccccc3nc3ccc([N+](=O)[O-])cc23)ccc1NS(C)(=O)=O 169324000 CPRUOQNTMIDTGK-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CC1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cc(Br)ccc2O)C1 653745794 VHNZQWJFNPKGPM-OAHLLOKOSA-N 429.723 4.320 10 1 IICF CCCCCC[C@@H](C)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 3976481 CTAGDTXGSWYTEE-SXCAWEJJSA-N 446.496 4.409 10 1 IICF O=C(COc1ccccc1)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 40409658 KSMJXTXIJMOCFN-JOCHJYFZSA-N 429.432 4.133 10 1 IICF COc1cc(CCC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)ccc1O 85626298 NGXSNYVAZPGPNZ-FQEVSTJZSA-N 428.525 4.357 10 1 IICF biogenic,in-vitro CN1CCN(c2ccc(-c3nc4ccc(I)cc4s3)cc2)CC1 591049 LGPNBDUEKJEVNY-UHFFFAOYSA-N 435.334 4.320 10 1 IICF COc1cccc(C/N=N/c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)c1O 169689439 WILKXRKIIQEXQC-WEMUOSSPSA-N 430.472 4.416 10 1 IICF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)(F)F)c(=O)c2)nc1 209428355 INJUJHLASYNXHB-SJORKVTESA-N 430.430 4.062 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)[C@H]1CC=C[C@H]21 587275770 GHAKNMIBPQOBLB-JXQFQVJHSA-N 445.523 4.438 10 1 IICF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821327 HQSMAUUCULPIKF-LAJNKCICSA-N 436.321 4.499 10 1 IICF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2c1 587785513 NDOLEBRJBFKTJI-SNAWJCMRSA-N 433.258 4.092 10 1 IICF CC[C@H](CC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356834005 KKYGZUKTEJKOSC-DYESRHJHSA-N 431.529 4.137 10 1 IICF CC[C@H]1N[C@@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O 17218311 OBJIVGDTIWTEFE-RSBDWGPQSA-N 428.382 4.258 10 1 IICF CN(C)c1ccc([C@H]2NC(=O)NC(c3ccc(S(C)(=O)=O)cc3)=C2c2ccccc2)cc1 103262499 HEWURLDBOMBSBW-HSZRJFAPSA-N 447.560 4.079 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2O)N1 587677662 LDEQVYYXAHEPAV-NZFNHWASSA-N 431.099 4.386 10 1 IICF Cn1cc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3c(O)cccc3F)s2)cn1 71341427 PTUVLVDEOIATPZ-GOSISDBHSA-N 447.495 4.380 10 1 IICF Cc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(O)c(O)c1)O2 587407650 DMPSCTMXEDQWHK-JWQCQUIFSA-N 431.444 4.017 10 1 IICF COc1cc(Nc2c3ccccc3nc3cccc([N+](=O)[O-])c23)ccc1NS(C)(=O)=O 169323998 BFMDTMRDGQXKHK-UHFFFAOYSA-N 438.465 4.420 10 1 IICF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2c(O)ccc(F)c2Cl)N1 962920408 FITPCBQUNZOBIU-UWJYYQICSA-N 429.831 4.371 10 1 IICF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)/N=N\c1c(O)[nH]c2ccccc12)c1ccccc1 101854039 CGZQOOMOYSCWDN-MLEWXOFZSA-N 428.448 4.231 10 1 IICF COCc1cccc(-c2c(F)cc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2F)c1 1911585801 SGJRXNSOOQZERI-UHFFFAOYSA-N 431.398 4.134 10 1 IICF CC[C@@H](CC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356834006 KKYGZUKTEJKOSC-LAUBAEHRSA-N 431.529 4.137 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587726161 VJZFLSORLYCLNM-ZSEKCTLFSA-N 437.328 4.362 10 1 IICF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 587491070 MZDAJDNOTOJHGC-BVAGGSTKSA-N 446.455 4.319 10 1 IICF Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21 118095235 ATKAKVKDWJCNFZ-UHFFFAOYSA-N 439.519 4.367 10 1 IICF Cc1cc([C@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(O)c2c1CCC2 963153484 VZKZLRYHVAGWOZ-UZUQRXQVSA-N 444.553 4.156 10 1 IICF Cc1ccc2c(N3CCN(CCc4c(Cl)ccc5c4ccc(=O)n5C)CC3)cccc2n1 64559654 YSWZYQKMDBCHKA-UHFFFAOYSA-N 446.982 4.413 10 1 IICF Cc1[nH]c2ccccc2c1CCNC(=O)CCNCc1cc(Cl)c2cccnc2c1O 1857583253 GOABROPOBRHMRM-UHFFFAOYSA-N 436.943 4.222 10 1 IICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CC[C@H](F)C3)cc2n1CC(F)(F)F 205478391 AGNKMZZXNJCKQA-ZDUSSCGKSA-N 431.393 4.050 10 1 IICF Cc1cc2c(n1-c1ccc(N3CCN(C)CC3)c(Br)c1)CC(C)(C)CC2=O 587937452 RNIHRBYBZQGSIU-UHFFFAOYSA-N 430.390 4.455 10 1 IICF COc1ccc(C[C@@H]2c3cc(O)c(O)cc3C[C@H]3c4cc(OC)c(O)cc4CCN32)cc1 14443939 PLJKSYZIJVDEAZ-YADHBBJMSA-N 433.504 4.260 10 1 IICF biogenic Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@H](c3ccccc3O)C2)c1 71340417 UAIBGKHQNYDHJB-FQEVSTJZSA-N 441.516 4.484 10 1 IICF [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587341278 YMWSNOUWVTYWOB-ZJSXRUAMSA-N 444.422 4.443 10 1 IICF COc1ccc(-c2cc(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 8671947 YAJBQUYSLXVFSB-UHFFFAOYSA-N 435.524 4.030 10 3 IICF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 29470930 KWWAZBMQRDIRKA-UHFFFAOYSA-N 437.481 4.453 10 1 IICF COc1cc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c(O)cc1O 961782808 KQQVRTIFZVUKLB-QFIPXVFZSA-N 426.513 4.347 10 1 IICF O=C(Nc1ccccc1-c1ccc2c3n[nH]cc3c(=O)n(CC(F)(F)F)c2c1)C1CC1 1772593224 WFZUPXXDBCFLPG-UHFFFAOYSA-N 426.398 4.456 10 1 IICF Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccc(N)cc1)n2CCN1CCOCC1 1772640492 DWCHPIPMUGWMGT-UHFFFAOYSA-N 445.567 4.008 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587748754 YHJMUXRMWRINOP-JEOXALJRSA-N 430.281 4.023 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@@H]1CC=C[C@@H]21 587272653 XGVRBTWQVLNTMX-HFAKWTLXSA-N 427.262 4.110 10 1 IICF Cc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3c2[nH]c2ccccc23)cc1 1857615384 YKUPEMQIMWOEKX-UHFFFAOYSA-N 442.518 4.313 10 1 IICF C=C(NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(N2CCOCC2)cc1 64721606 NPNJKNFLGWMLPM-UHFFFAOYSA-N 443.718 4.164 10 1 IICF O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cccc(Cl)c1 28765307 RPYZNFWCUSKOEQ-UHFFFAOYSA-N 427.976 4.167 10 1 IICF COc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1 84687917 HWRYPZRILIVNCE-JMQWPVDRSA-N 432.524 4.369 10 1 IICF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)O2 587409534 LVNXFUHGFRHQSK-QHCPKHFHSA-N 437.521 4.048 10 1 IICF CCc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)cc1 72123497 LMUKMMGFOAXYSE-UHFFFAOYSA-N 442.519 4.317 10 1 IICF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3Br)c12 72176271 RYZSOWOKHBSYBF-UHFFFAOYSA-N 429.222 4.405 10 1 IICF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c(Br)c1 587540675 QENNWAYRZVYLLM-OXJNMPFZSA-N 429.222 4.269 10 1 IICF CC(C)CN(Cc1ccc(N2CCC3(CC2)COC3)cc1)S(=O)(=O)Cc1ccccc1 147267688 ONDKOAPUGQPDON-UHFFFAOYSA-N 442.625 4.291 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(O)c2Br)N1 587680926 VLTVMQJXNLPZAR-VGDKGRGNSA-N 431.099 4.386 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587725284 OPFNAYAXHDBUSM-ASSNKEHSSA-N 437.328 4.362 10 1 IICF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 2356512453 UESFDRVOHWXYIQ-LOSJGSFVSA-N 440.492 4.422 10 1 IICF CCCC[C@@H](CC1=CCN=C1)[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356872722 ZAXFAKYFMNJFQG-SIKLNZKXSA-N 431.529 4.137 10 1 IICF O=C1/C(=C/c2ccc(S(=O)(=O)O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 40421516 DMHQHYFJXGEXLS-ZSOIEALJSA-N 445.465 4.358 10 1 IICF CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 26166424 MQAZMXBBLMPTKM-YADARESESA-N 435.612 4.448 10 1 IICF CN(C)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963180436 NCMMRDUEMICVJE-CXAGYDPISA-N 443.809 4.021 10 1 IICF CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc21 95603478 CKBQQVRNWKMAPJ-UHFFFAOYSA-N 430.940 4.094 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(Br)cc2O)N1 587677654 LCLVILVPDKOECP-QZTNRIJFSA-N 431.099 4.386 10 1 IICF Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=S)c1c(F)cccc1F 14945536 HARCNHPDYDKMHE-UHFFFAOYSA-N 429.398 4.470 10 1 IICF COc1ccc(OC)c([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)c1 82172762 KVKDKWUPDSJELR-CJFMBICVSA-N 432.476 4.361 10 1 IICF COc1ccc2c(c1OC)[C@H](c1ccc(Cl)cc1O)N(C(=O)c1ccccc1N)CC2 963139636 LVFGEUFMNTYOPK-QFIPXVFZSA-N 438.911 4.433 10 1 IICF O=S(=O)(Nc1cn(C2CCCCC2)cn1)c1cc(Br)cc(Cl)c1O 1911571295 FZZVAOWEPRLNJJ-UHFFFAOYSA-N 434.743 4.311 10 1 IICF COc1ccc([C@@H](NC(=O)COc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 40891739 VFNLOGJXHYZRPQ-JOCHJYFZSA-N 449.894 4.282 10 1 IICF O=C1c2ccccc2-c2c1c1ccc(Br)cc1c(=O)n2CCCn1ccnc1 95585090 LKZOCDBQZWFUDU-UHFFFAOYSA-N 434.293 4.262 10 1 IICF COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738490 AVZXVAZOXIUAPE-JRZIEYMMSA-N 435.337 4.156 10 1 IICF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(c2ccc(Cl)cc2)=COc2cc(O)cc(O)c21 962920254 RJZSAUPVJUTHOD-DEOSSOPVSA-N 437.927 4.431 10 1 IICF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C=C(c2ccc(O)c(O)c2)Oc2cc(O)ccc21 963607860 KPEFKPXKAAOPCG-RXBISOJRSA-N 447.487 4.032 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(O)c2Br)N1 587680924 VLTVMQJXNLPZAR-HYORBCNSSA-N 431.099 4.386 10 1 IICF Cc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c(C)c1 2356812681 BLAGSUZRRUZRMM-UHFFFAOYSA-N 436.467 4.071 10 1 IICF CCN1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587767898 SBBFOQYLFFVGST-NYHFZMIOSA-N 432.381 4.354 10 1 IICF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[n+]([O-])c2)cc1 38800903 JYNRCTGNUWIOCC-UHFFFAOYSA-N 444.940 4.303 10 1 IICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)cc2nc3ccccc3n2c1O 102951698 CIYPTMSDKNRLGL-PDGQHHTCSA-N 426.432 4.006 10 1 IICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(F)c2)N1 587725287 OPFNAYAXHDBUSM-ZSEKCTLFSA-N 437.328 4.362 10 1 IICF COc1cccc2cc3c(nc12)[C@]1(C=C(c2ccccc2)Oc2c1ccc(O)c2O)NCC3 963072242 XTSGISQYUJWRDY-HHHXNRCGSA-N 438.483 4.477 10 1 IICF Cc1oc2c(c1C(=O)Oc1ccccc1NC(=O)OC(C)(C)C)C(=O)c1ncccc1C2=O 1857631486 XGDKUELPKDKBDP-UHFFFAOYSA-N 448.431 4.325 10 1 IICF C[C@@H](CCCCC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H](O)c1ccc(O)c(O)c1 27558214 NQHCZBDEMVZAEJ-XOBRGWDASA-N 440.462 4.327 10 1 IICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1c(C)cc2nc3ccccc3n2c1O 63539402 CIYPTMSDKNRLGL-LDADJPATSA-N 426.432 4.006 10 1 IICF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c2cc(O)nc(O)c12 587344061 FJBHNOMSYXWWJJ-YKSBVNFPSA-N 434.423 4.402 10 1 IICF CCc1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1 1911572491 VBUFZLSUDGCPNO-UHFFFAOYSA-N 448.770 4.483 10 1 IICF COCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC)cc34)CC2)cc1 13582386 IOGBAZGWYGPULK-UHFFFAOYSA-N 437.584 4.347 10 1 IICF COc1ccc(N2CCN[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 95598594 VDPOPYFAETYXQK-INIZCTEOSA-N 443.594 4.023 10 1 IICF COc1ccc(C(=O)O[C@@H](CN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1857762328 WJWDCGAHOUJUDQ-SANMLTNESA-N 446.547 4.424 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587764192 CEBWKSNMOZICFF-NYHFZMIOSA-N 432.381 4.138 10 1 IICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587748757 YHJMUXRMWRINOP-NSPYISDASA-N 430.281 4.023 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587777028 YQVDYSAARHZASQ-ASSNKEHSSA-N 435.337 4.057 10 1 IICF Nc1ccc(Oc2ccc3nc([C@H](CC(=O)O)NC(=O)OCc4ccccc4)[nH]c3c2)cc1 587204249 WVHBLLOEJWQFAK-NRFANRHFSA-N 446.463 4.380 10 1 IICF Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)[C@H](C)C3)cc(F)cc2n1 64559549 UFYNVMLPCYILNZ-LJQANCHMSA-N 444.554 4.287 10 1 IICF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(c2ccc(Cl)cc2)=COc2cc(O)cc(O)c21 962920261 RJZSAUPVJUTHOD-XMMPIXPASA-N 437.927 4.431 10 1 IICF CN(C)C(=O)CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847578 JZQUOTUNONYSOX-UHFFFAOYSA-N 448.548 4.352 10 1 IICF O=C1NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 36151620 KPJFDQSBTSOUHJ-YBEGLDIGSA-N 443.242 4.413 10 1 IICF C[C@H](NC(=O)c1cnn(C)c1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149956665 MNHOQAKFAXSLSZ-SFHVURJKSA-N 430.552 4.304 10 1 IICF O=C(O)CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)SC1=S 66148620 HMRJIMGJMJZYRZ-YHYXMXQVSA-N 429.363 4.400 10 1 IICF COc1cc(N2CCOCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587774525 OFKOVATXIAJKOK-YEJXKQKISA-N 435.337 4.057 10 1 IICF CC(C)=CCc1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@@H](c1ccc(O)c(O)c1)CC2=O 38991933 FMVFFMVMWVSZRC-UXHICEINSA-N 440.492 4.093 10 1 IICF biogenic COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739450 GZNRSSGPGVGQCO-OGOPYPDUSA-N 435.337 4.156 10 1 IICF CN1CCN(Cc2cc(Cl)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2O)CC1 1857763869 DADWEVVVYODCCE-UHFFFAOYSA-N 428.747 4.352 10 1 IICF COc1ccc(O)c([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2ccc(C(=O)O)cc2)c1 169328935 ALHMFHRYAPNWIU-OAQYLSRUSA-N 431.448 4.277 10 1 IICF COC(=O)c1c(O)ccc2c1c1c(n2Cc2cccc(C)c2)C(=O)c2ccccc2C1=O 1663097 UPTJZMGDBQKVTE-UHFFFAOYSA-N 425.440 4.266 10 1 IICF COc1ccc(N2CCN(c3nc(-c4cc(C(=N)N)sc4SC)cs3)CC2)cc1 28003320 ZBELKJWVARBDCT-UHFFFAOYSA-N 445.639 4.213 10 1 IICF COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCN)c2c1 28713313 VPRYASVJCPFONI-UHFFFAOYSA-N 428.964 4.487 10 1 IICF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434804 ZWYJFRCKLUQREP-BXKMTCNYSA-N 433.416 4.014 10 1 IICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3nc(Br)c[nH]c-3n1)[C@@H]1CC=C[C@H]21 587272656 XGVRBTWQVLNTMX-RWSFTLGLSA-N 427.262 4.110 10 1 IICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12 26939233 HQCQBWGAGNRHBM-UHFFFAOYSA-N 438.465 4.420 10 1 IICF CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929031 PKVQIEVOYHTHNY-UHFFFAOYSA-N 442.928 4.412 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCN=[N+]=[N-])c1ccccc12 587742556 ARKHJYUOAFVGSW-NSPYISDASA-N 430.281 4.023 10 1 IICF C[C@@H](CCCCC(=O)Nc1ccccc1C(F)(F)F)NC[C@H](O)c1ccc(O)c(O)c1 27556558 YTLNSFLDZLUTKR-XOBRGWDASA-N 440.462 4.327 10 1 IICF Cc1c(CC(=O)NC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 299861295 IDXDTSXGXHSNFN-UHFFFAOYSA-N 428.529 4.062 10 1 IICF COc1cc2c(cc1OC)N1Cc3cc(OC)c(OC)cc3N(C2)C1N(C)c1ccccc1 169485073 JOGKDCFPUSRWRL-UHFFFAOYSA-N 447.535 4.481 10 1 IICF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(OC(C)=O)c2ncccc12 103151890 SVYROGRKUVXSAG-KCWPFWIISA-N 439.467 4.418 10 1 IICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587764176 CEBWKSNMOZICFF-IVZQSRNASA-N 432.381 4.138 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c21 587040879 ISTAJZNVPPFRJK-WOJBJXKFSA-N 425.513 4.285 10 1 IICF Fc1cc(/C=C/c2ccc(N3CCN(C4=NCCCO4)CC3)cc2)cc(Cn2ccnc2)c1 1857753152 WCFGUNSMMYRPDE-NSCUHMNNSA-N 445.542 4.139 10 1 IICF COc1ccc(C=C2C(=O)N(Cc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1 299861135 KNMCTAJBZVTFNI-UHFFFAOYSA-N 426.472 4.270 10 1 IICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c21 587076045 OOHUVFQYCGIAMR-UHFFFAOYSA-N 425.835 4.239 10 1 IICF COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739452 GZNRSSGPGVGQCO-VDUSMEGXSA-N 435.337 4.156 10 1 IICF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1N)C(=O)c1ccccc1C3=O)N(C)[C@H](C)C2 962638353 PPFIDWAMFZUPOC-DLUDVSRJSA-N 442.515 4.027 10 1 IICF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)NC(CO)=C2O)[C@@H]1C=CC=CC[C@@H](C)O 2356453503 AJDLKWSYDPWRCH-WBILIQCLSA-N 443.584 4.208 10 1 IICF O=C(Nc1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12 28870609 RQNYBHICPSQZPP-UHFFFAOYSA-N 444.925 4.398 10 1 IICF COc1ccccc1NC(=O)CC(=O)n1nc(C)c(/N=N/c2ccccc2C(=O)O)c1C 5809866 DTCIRRCZDNEKGA-OCOZRVBESA-N 435.440 4.291 10 1 IICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OCc1cc(F)c(F)c(F)c1)C2 28386808 HXEMBMBXNRXMHN-IFMALSPDSA-N 434.366 4.188 10 1 IICF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(Cl)cc3Cl)CC2)cc1 95574317 WTMDTSOAKKTZJP-FQEVSTJZSA-N 438.355 4.351 10 1 IICF CN(C)c1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1 64539066 GCENOGXZTZFPPD-UHFFFAOYSA-N 449.507 4.223 10 1 IICF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)O2 587409374 LVNXFUHGFRHQSK-HSZRJFAPSA-N 437.521 4.048 10 1 IICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCN(C)CC3)cc2)N1 587764194 CEBWKSNMOZICFF-OYHNWAKOSA-N 432.381 4.138 10 1 IICF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@H](c1ccc(O)c(O)c1)O2 2356512451 UESFDRVOHWXYIQ-DQEYMECFSA-N 440.492 4.422 10 1 IICF CCc1c(CCNCCCCCCNCCc2ccc([N+](=O)[O-])cc2)ccc(O)c1O 34276430 MYIQDTVRBUXQDS-UHFFFAOYSA-N 429.561 4.093 10 1 IICF CN(C)c1ccc([C@@]2(CCCCCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963021389 GTTWUCMCUASYPE-WXTAPIANSA-N 435.568 4.085 10 1 IICF CC(=O)Oc1ccc(O)c([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962958920 QMMVZFKZHSJXAE-OAQYLSRUSA-N 435.442 4.251 10 1 IICF CCOC(=O)CN1C(=O)S/C(=C\c2cccc(-c3cc(C(=O)O)ccc3Cl)c2)C1=O 1857614773 VKWPFQRLQDRFKP-MFOYZWKCSA-N 445.880 4.305 10 1 IICF