smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 16511440 RJNKNWLZMBFDJB-QBFSEMIESA-N 353.403 2.439 10 50 FECA COc1ccc(N2CC3(CN(C(=O)c4ccc(OC)nc4OC)C3)C2)cc1 2100534867 XTBQYUOIZKXQDN-UHFFFAOYSA-N 369.421 2.070 10 50 FECA COc1ccc(N2CC3(CN(C(=O)CCn4nc(C)cc4C)C3)C2)cc1 2100545229 KLKLMDTYZZKBTB-UHFFFAOYSA-N 354.454 2.247 10 50 FECA COC1CCN(c2ccc(CN3[C@H]4CC[C@@H]3CN(C)C(=O)C4)cc2)CC1 887157417 GMDHYBLNZWOWBR-RBUKOAKNSA-N 357.498 2.497 10 50 FECA COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccccc1 1220221 XBHDZICEMYAKJJ-UHFFFAOYSA-N 368.414 2.189 10 50 FECA CC[C@]12COC(=O)N1CCN(C1CCN(c3ccc4c(c3)OCO4)CC1)C2 1857674383 FXQXFXPUPUHIDK-FQEVSTJZSA-N 373.453 2.301 10 50 FECA O=C(O)CN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S 13773891 FBDQKRAWGRTSAE-PGACXJNKSA-N 350.377 2.437 10 50 FECA Cc1noc2ncc(C(=O)NCc3ccc(N4CCNCC4)c(F)c3)cc12 237715838 MWDGTSCNLKGUAI-UHFFFAOYSA-N 369.400 2.010 10 50 FECA Cc1c(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)n(C)c2c(C)cccc12 1857719876 XPZBDVRIZVITEI-IERDGZPVSA-N 367.449 2.359 10 50 FECA COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 1220082 YFZZDFALGOBYBL-HLPMDPMVSA-N 353.421 2.378 10 50 FECA COC(=O)CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 4482663 DTAGRDPUKVYLOF-DHZHZOJOSA-N 352.393 2.359 10 50 FECA Oc1ccc(Br)cc1CNC1CCN([C@@H]2CCOC2)CC1 848911724 XQTUGJFQXGPVFH-OAHLLOKOSA-N 355.276 2.498 10 50 FECA COc1cccc([C@H]2N[C@@H](CO)[C@H]3CN(Cc4ccccc4)C[C@@H]23)c1O 65436092 HRQVLOKKBVHXGJ-HLNWXESRSA-N 354.450 2.154 10 50 FECA CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(O)c([N+](=O)[O-])c1 164053934 LULCEMCQKIQFLT-UHFFFAOYSA-N 371.393 2.409 10 50 FECA [N-]=[N+]=N[C@@H]1CN[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 299794311 IRUIWPDHEWZMDF-JSGCOSHPSA-N 368.363 2.395 10 50 FECA COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(F)cc2)C1=O 18100221 DXSDAJXENXYZBM-JLHYYAGUSA-N 355.325 2.413 10 50 FECA COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)cc1 1173791 JVSRMEHTIVYPMT-MHWRWJLKSA-N 369.446 2.482 10 50 FECA CCOC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 16682846 SURQSSGISXTSEU-VBKFSLOCSA-N 366.373 2.090 10 50 FECA COc1ccc(N2CC3(CN(C[C@H]4Cc5c(C)nc(C)nc5O4)C3)C2)cc1 2356160271 KSCICSMVZKJPPP-GOSISDBHSA-N 366.465 2.228 10 50 FECA CC(=O)c1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3n[nH]c(=O)[nH]3)cc2)c1C 217189691 SZRNWZKATALQRR-NSHDSACASA-N 367.409 2.199 10 50 FECA C[C@H]1CCCCN1c1ccc(CNC(=O)c2nn(C)cc2C(=O)O)cc1 20615021 BOYWSIVZRLGQJP-ZDUSSCGKSA-N 356.426 2.427 10 50 FECA COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 655850 UQMHCBPPCYAGHW-UHFFFAOYSA-N 369.240 2.056 10 50 FECA O=C1/C(=C/c2ccccc2F)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1793549 VWUUOPXKSWDZCH-BZPKPHBRSA-N 357.453 2.214 10 50 FECA O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 10113411 BJENLGSDUKBAEV-UHFFFAOYSA-N 350.415 2.141 10 50 FECA O=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2nc3ccccc3n12 12360468 DWOYWRKVKGTEBA-AQTBWJFISA-N 363.442 2.294 10 50 FECA CCC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 15658677 ONWOTPSZWGMRPP-PTNGSMBKSA-N 366.373 2.472 10 50 FECA COc1cccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6267868 QMROVSYMFRPHIE-UHFFFAOYSA-N 352.437 2.145 10 50 FECA COc1ccc(N2CCN(C(=O)CN(C)Cc3cccnc3)[C@H](C)C2)cc1 72431582 RRZIFNWMBLOOFN-QGZVFWFLSA-N 368.481 2.259 10 50 FECA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 1162955 ZALRTAMZVMDKLS-HEUOVEHFSA-N 372.377 2.446 10 50 FECA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(Cl)c1 2082930501 CBLMOFNORYMQEE-CYBMUJFWSA-N 353.831 2.041 10 50 FECA CO[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1c1cn(C)nn1 886093780 HOZGUJWOPNECSF-AZUAARDMSA-N 355.486 2.420 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=O)c1 5043803 NBHPYQZJVVFLJX-ZSOIEALJSA-N 368.345 2.076 10 50 FECA COCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 4032086 BCRIBTAEVVMBPZ-XDJHFCHBSA-N 367.449 2.286 10 50 FECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)c1 4473821 LFEGJJIJFWDABE-GHXNOFRVSA-N 358.375 2.432 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)c1 1189788 YBXOPDDQZNTMSQ-XNTDXEJSSA-N 352.346 2.370 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 5043826 ZTEFRBLTNOXZLB-AUWJEWJLSA-N 366.329 2.090 10 50 FECA Cn1cc(-c2nn(C)cc2C(=O)N2CCN(C3CC3)c3ccccc32)cn1 446065612 AHUMTFYZZVMDCS-UHFFFAOYSA-N 362.437 2.450 10 50 FECA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1565507631 DGZPOFPNNURNPJ-LRSLUSHPSA-N 355.526 2.451 10 50 FECA Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc3c(c2)OCO3)C1=O 17086507 YUHMSVOPTQQETN-LCYFTJDESA-N 365.345 2.303 10 50 FECA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/NCc1cccs1 5595953 IUHNTOVQQVNMOG-PKNBQFBNSA-N 361.423 2.309 10 50 FECA Cc1cccc2c1NC(=O)/C2=C1/SC(=S)N(CCCC(=O)O)C1=O 4722214 HNFFUHYLXZQFRG-ACCUITESSA-N 362.432 2.383 10 50 FECA CCOC(=O)N1CCC(N2CC3(CN(c4ccc(OC)cc4)C3)C2)CC1 2100557095 MPPPXCIOTSROSL-UHFFFAOYSA-N 359.470 2.438 10 50 FECA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O 1172875 XHPFDEVYEFGOQA-UHFFFAOYSA-N 354.815 2.043 10 50 FECA COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c1 114543978 VAQAHSZLPNPAPZ-SFHVURJKSA-N 368.433 2.251 10 50 FECA O=C1/C(=C/c2ccccc2F)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1231013 VWUUOPXKSWDZCH-VPMLRQHESA-N 357.453 2.214 10 50 FECA Cn1nccc1N1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 376046773 RJBQLZRSEZTKRK-SFHVURJKSA-N 355.486 2.015 10 50 FECA COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)c1 1857666447 YBXOPDDQZNTMSQ-UHFFFAOYSA-N 352.346 2.370 10 50 FECA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 183466961 YGNZFDHMQSINHW-ZFWWWQNUSA-N 372.421 2.433 10 50 FECA COC(=O)COc1ccc(N(C)Cc2cnn(-c3ccccc3)n2)cc1 170594185 YFRYWPFRVQRUJF-UHFFFAOYSA-N 352.394 2.456 10 50 FECA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cn1 15856572 NBOATYYKPNOAGH-SDQBBNPISA-N 358.354 2.004 10 50 FECA Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 49740686 OBTKGQICCRGZKD-UHFFFAOYSA-N 359.495 2.225 10 50 FECA CC[C@]12C[C@H]1CN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2 1875303591 FCVURYANBTVTRH-XGHQBKJUSA-N 370.497 2.330 10 50 FECA C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 237512054 OKNYUYMITXAECS-XOBRGWDASA-N 369.440 2.416 10 50 FECA CCOc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1O 1826293 SNOSLJVEJGIIQG-LQGZHCLWSA-N 353.421 2.465 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O 3543670 CFKODRZYEBEQLG-UHFFFAOYSA-N 355.306 2.289 10 50 FECA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1O 1201341 VOCYPJOMHFBTPA-MDWZMJQESA-N 372.377 2.371 10 50 FECA COc1cc(C)c(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(OC)c1 15800003 RKORXXRWWWDZTE-DHDCSXOGSA-N 370.361 2.267 10 50 FECA COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 1800342 RLCRWICJGCGKTD-CLUBXZQOSA-N 351.405 2.148 10 50 FECA O=C1/C(=C\c2ccccc2F)SC(=S)N1[C@H]1CCS(=O)(=O)C1 33394224 VWUUOPXKSWDZCH-QVIVLVACSA-N 357.453 2.214 10 50 FECA Cc1ccccc1CS(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 49740707 YEXKRXBLOOUTCJ-UHFFFAOYSA-N 373.522 2.366 10 50 FECA CC(C)N1CCC(N2CCN(Cc3ccccc3O)C[C@@H]2CCO)CC1 23358315 LKWULCJLDSAUCB-FQEVSTJZSA-N 361.530 2.134 10 50 FECA CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 170649585 NYRNQTIWBQTFQJ-UHFFFAOYSA-N 364.304 2.311 10 50 FECA COc1ccccc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 12371706 ZENUTRKZCJXBNH-LFTLCWSBSA-N 369.489 2.084 10 50 FECA COC(=O)/C=C/c1ccc(N2CC[C@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1 252538304 MXAPSEHZAQSUQD-LPGQDJFJSA-N 352.412 2.128 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(F)c3)C2=O)cc1 23279604 HSMUQOIXLFNNCQ-GDNBJRDFSA-N 355.325 2.413 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 1056665 SACIIOIPFJSPMI-GZTJUZNOSA-N 365.389 2.428 10 50 FECA O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 1908115 DTPSNZKCDHPUJR-DFYQSJSGSA-N 351.405 2.206 10 50 FECA COc1ccc(N2CCN(CC(=O)NC3Cc4ccccc4C3)CC2)cc1 54263579 XFUWRUTZRJAIRY-UHFFFAOYSA-N 365.477 2.101 10 50 FECA Cc1ccc(-c2nc3sccn3c2C=C2C(=O)NC(=O)NC2=O)cc1 4003171 FMPVOIJXIQVLPA-UHFFFAOYSA-N 352.375 2.121 10 50 FECA O=C1NC(=O)C(=Cc2ccc(N3CCC(C(F)(F)F)CC3)cc2)C(=O)N1 263639674 DBOPFHQZEJSILO-UHFFFAOYSA-N 367.327 2.215 10 50 FECA COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 4703329 RBBROFDLKRREDN-UHFFFAOYSA-N 368.345 2.167 10 50 FECA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 781548 AIQAOCWPVYYIGL-RIYZIHGNSA-N 350.330 2.077 10 50 FECA biogenic,in-vitro CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1 1083921 JAQBSGDFNSRHEJ-LFIBNONCSA-N 352.346 2.457 10 50 FECA CN(C)c1cccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 100401290 VMSGYWKBROTNAY-WJDWOHSUSA-N 368.368 2.471 10 50 FECA O=C1NC(=S)N=C(O)/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4982191 BVMNTYXFETXYMB-UHFFFAOYSA-N 360.395 2.340 10 50 FECA CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccncc2)SC1=S 5846092 VWFQQYPZLQVCJJ-MXBGMFSPSA-N 354.478 2.489 10 50 FECA O=C1NC(=O)C(=Cc2ccccc2OC(=O)c2ccc(Cl)cc2)C(=O)N1 1165771 RSVFQUFNCRWSNQ-UHFFFAOYSA-N 370.748 2.309 10 50 FECA COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1 1188758 PQVOKQCBWATCGD-UHFFFAOYSA-N 352.346 2.024 10 50 FECA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2=O 20589913 ODUKDQQDXYYVPC-YADHBBJMSA-N 368.477 2.295 10 50 FECA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(C=O)CC3)c2)c1 20598663 GDSAVMMBFIRXDT-UHFFFAOYSA-N 356.422 2.350 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1O 15659282 GIMMTJWPPNPPEQ-ZSOIEALJSA-N 370.336 2.202 10 50 FECA CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1F 284589561 QBEDFNSCUKYHLH-DNVCBOLYSA-N 359.449 2.077 10 50 FECA CCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2C1=O 4825377 FUTGISZXERMCMC-UHFFFAOYSA-N 368.345 2.349 10 50 FECA COc1ccc(N2CCN(c3nc(NC(C)(C)C)nc(OC)n3)CC2)cc1 1053135 ALQDDAAQVYSNBO-UHFFFAOYSA-N 372.473 2.426 10 50 FECA COc1ccc(N2CC3(CN(Cc4ccccc4OCC(=O)O)C3)C2)cc1 2356156414 AOKRUPVOQIUTCN-UHFFFAOYSA-N 368.433 2.481 10 50 FECA COc1ccc(OC)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 967022 BSEGYGDDEWQDQV-XYOKQWHBSA-N 353.421 2.380 10 50 FECA CCc1ccc(OCCCN/C=C2\C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 22589688 MVICWFPMASEXGY-DTQAZKPQSA-N 373.453 2.368 10 50 FECA COc1cc(/C=C2/SC(=S)NC2=O)ccc1CCN1CCOCC1 6735803 OJNJEHDXOKDDTN-RVDMUPIBSA-N 364.492 2.059 10 50 FECA Cn1nccc1N1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 376046772 RJBQLZRSEZTKRK-GOSISDBHSA-N 355.486 2.015 10 50 FECA COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O 16667327 JMGONLFHAQXGRJ-GDNBJRDFSA-N 352.346 2.082 10 50 FECA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 328635263 NEYIKYQCVBMYNX-OALUTQOASA-N 356.470 2.359 10 50 FECA O=C1NC(=O)C(=CNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N1 17029268 FANSXNHNDDTLOJ-UHFFFAOYSA-N 369.764 2.233 10 50 FECA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ncc[nH]4)C3)CC2)cc1 19773539 KMVQOMIAEHWUSI-GOSISDBHSA-N 355.486 2.205 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1O 15659315 ZDVPDIRGOFWLED-LCYFTJDESA-N 354.387 2.232 10 50 FECA COc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 100401362 XBSOXRDESFHUQQ-UVTDQMKNSA-N 369.352 2.409 10 50 FECA COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3OC)CC2)cc1 20819117 YCSQACHRPANRIW-GOSISDBHSA-N 372.465 2.266 10 50 FECA COc1ccc(N2CCN3C(=O)C(Br)=CN[C@H]32)cc1Cl 642878221 SDRMRRXPXJKISJ-ZDUSSCGKSA-N 358.623 2.120 10 50 FECA COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)cc1 5130880 WZUAUSVKPNVAMO-UHFFFAOYSA-N 354.332 2.400 10 50 FECA COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 1220080 YFZZDFALGOBYBL-VQLBTBKJSA-N 353.421 2.378 10 50 FECA CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2=O 19312738 ZXTWBPVQUCJZQS-UHFFFAOYSA-N 351.244 2.380 10 50 FECA biogenic Cc1ccnc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 1140133 FVVUNLVOBZRUOJ-UHFFFAOYSA-N 368.462 2.396 10 50 FECA COCCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 15010756 CZIRJJMCXSCXDS-XFFZJAGNSA-N 370.408 2.157 10 50 FECA COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(C)o3)C2=O)c1 1857666679 FQOFXDNZBJTYSU-UHFFFAOYSA-N 356.334 2.272 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3OC)C2=O)cc1 5738496 GSRQHQRXLMOFRE-KAMYIIQDSA-N 367.361 2.283 10 50 FECA CC(C)(C)SCCN/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 106310047 XUGXRVHQOGFRRW-KAMYIIQDSA-N 361.467 2.270 10 50 FECA COc1ccc(N2CCC(N3CCn4nc([C@H](C)O)cc4C3)CC2)cc1 218755483 SKPGOABFODUSDU-HNNXBMFYSA-N 356.470 2.430 10 50 FECA COc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1 5200361 XWBVPUALAREODW-BOPFTXTBSA-N 371.418 2.149 10 50 FECA Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 1171539 VUIJACGFBQBTMF-UHFFFAOYSA-N 352.415 2.488 10 50 FECA COC[C@H]1[C@H](NC2CCN(c3ccc4c(c3)OCO4)CC2)[C@H]2CCO[C@H]21 1565527097 LRLJWKZOBBPJLB-WOUAJJJCSA-N 360.454 2.024 10 50 FECA COc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc1 2049286294 GHTUWPVHLQSNNA-UHFFFAOYSA-N 373.346 2.028 10 50 FECA O=C(O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1O 20254998 KKWHQRWSXVDVOU-UHFFFAOYSA-N 372.742 2.453 10 50 FECA COc1ccc(N2CCN(C(=O)c3c(C)[nH]c(C)cc3=O)[C@H](C)C2)cc1 72440738 OPZSKXDBYLKNFQ-CQSZACIVSA-N 355.438 2.351 10 50 FECA COC(=O)c1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 9111105 QBAOEAVDZSMISY-SDNWHVSQSA-N 365.345 2.052 10 50 FECA CN(Cc1ccccc1O)C(=O)c1ccccc1N1CCC(=O)NC1=O 63884382 YQDKBVPRHBEBNJ-UHFFFAOYSA-N 353.378 2.111 10 50 FECA CCN(CC)c1ccc(/C=C2\C(=O)N(c3nnc(C)c(=O)[nH]3)N=C2C)cc1 13638539 DPBQSCCTZVVUPC-WJDWOHSUSA-N 366.425 2.126 10 50 FECA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 2644155 KPVCLQXIPKRMLD-UHFFFAOYSA-N 354.406 2.429 10 50 FECA C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 237512551 OKNYUYMITXAECS-VBKZILBWSA-N 369.440 2.416 10 50 FECA CC[C@@H](C)N1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)C(=O)NC1=S 1137031 JVOMQECGXWSYCH-KMHUVPDISA-N 354.435 2.298 10 50 FECA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 1213542 QYVDCJXFYUVUGI-NTUHNPAUSA-N 370.361 2.386 10 50 FECA COc1ccc(N2CCN3C(=O)C(Br)=CN[C@@H]32)cc1Cl 642878194 SDRMRRXPXJKISJ-CYBMUJFWSA-N 358.623 2.120 10 50 FECA COc1ccc(N2CC3(CN(C[C@@H]4Cc5c(C)nc(C)nc5O4)C3)C2)cc1 2356160272 KSCICSMVZKJPPP-SFHVURJKSA-N 366.465 2.228 10 50 FECA COc1ccc(N2CC3(CN(Cc4cc(=O)n5ccccc5n4)C3)C2)cc1 2356165758 MVEWVRPHDACUIL-UHFFFAOYSA-N 362.433 2.025 10 50 FECA COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1OC 2096472 WKJZKNFGZORWFP-LEWJYISDSA-N 373.449 2.327 10 50 FECA biogenic CCN1C(=O)C(=Cc2cc(Cl)cc(OC)c2O)C(=O)N(CC)C1=S 5576597 IVZZZGLXUQBECB-UHFFFAOYSA-N 368.842 2.433 10 50 FECA O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 1908120 DTPSNZKCDHPUJR-UBYNWHESSA-N 351.405 2.206 10 50 FECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc(C)o3)C2=O)c1 1069946 FQOFXDNZBJTYSU-JYRVWZFOSA-N 356.334 2.272 10 50 FECA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)OCO3)C1=O 4991628 WPDNBFWVNZUUAA-WQLSENKSSA-N 366.329 2.090 10 50 FECA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3ccccc3)CC1)C(=O)C2=O 6719202 OFYWUUOWTYXCDH-RTWAWAEBSA-N 354.450 2.300 10 50 FECA CN1CCCN(c2ncccc2CNCc2ccc3c(c2)CCO3)CC1 15063044 BNXCFCYHTJKCLH-UHFFFAOYSA-N 352.482 2.448 10 50 FECA COc1ccccc1/C=C1\SC(=S)N(N2C(=O)CCCC2=O)C1=O 3104931 UCWPRGDVJWQHLF-XFXZXTDPSA-N 362.432 2.351 10 50 FECA COc1ccc(OC)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 13372533 BSEGYGDDEWQDQV-WQLSENKSSA-N 353.421 2.380 10 50 FECA Cc1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c(C)n1-c1ccccn1 887023909 MMWVMSONHCLEKZ-IAGOWNOFSA-N 355.438 2.149 10 50 FECA Cc1ccc(C(=O)Oc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 1176520 VWLVMNQDLQAWDB-UHFFFAOYSA-N 366.398 2.129 10 50 FECA Cc1c([C@H]2[C@H](CNCc3ccc4c(c3)CCN4C)CC(=O)N2C)cnn1C 328626092 LITZJRGTNGUALP-LAUBAEHRSA-N 367.497 2.030 10 50 FECA CCOC(=O)COc1c(/C=C2\SC(=S)N(C)C2=O)cccc1OC 16192741 CQGHQZLSVBWBRR-WQLSENKSSA-N 367.448 2.468 10 50 FECA CCc1ccc(N2NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 4657316 ACDDCTUWRZWPIN-ATVHPVEESA-N 350.374 2.497 10 50 FECA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(O)c(O)c(Br)c1 1136472 RYMRYWIWOHJDGU-LLVKDONJSA-N 371.187 2.003 10 50 FECA CC(C)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br 1158295 XOIQIOYWXZYFIA-UHFFFAOYSA-N 367.199 2.233 10 50 FECA COc1ccc(N2CCN(C(=O)[C@@H](N)CCSC)CC2(C)C)cc1 91663256 DCEFAOVMEGCVEL-INIZCTEOSA-N 351.516 2.203 10 50 FECA COC(=O)CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 1779719 HYNXHBUTKYOISB-XYOKQWHBSA-N 353.421 2.165 10 50 FECA Cc1cc(C(=O)N2CC[C@@H](CN)C2)c(C)n1-c1ccc2c(c1)OCCO2 299738720 FMZIZKDWCUQIQO-HNNXBMFYSA-N 355.438 2.286 10 50 FECA CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 13616244 CBVIOULWOANZLY-YBEGLDIGSA-N 353.378 2.451 10 50 FECA C/C(NC#N)=C1/C(=O)[N+](=c2[nH]c3ccccc3s2)N=C1c1ccccc1 334156988 VMUNWNZEONDGJK-UHFFFAOYSA-O 360.422 2.291 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 1225708 CXXOMHAKBZXEKQ-SFQUDFHCSA-N 365.389 2.428 10 50 FECA O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 22241944 HKCBHSXWNNRGNX-CXUHLZMHSA-N 374.356 2.399 10 50 FECA COc1ccc(N2CCN(C(=O)c3c(C)[nH]c(C)cc3=O)[C@@H](C)C2)cc1 72440735 OPZSKXDBYLKNFQ-AWEZNQCLSA-N 355.438 2.351 10 50 FECA COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O 1225751 IJYFYKVAPMOBTG-NTEUORMPSA-N 352.346 2.063 10 50 FECA CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1 16265470 VWZFRPBEGQPUFS-GDNBJRDFSA-N 355.419 2.173 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(C)C1=S 1180231 WEPIQAMLNFRLII-UHFFFAOYSA-N 371.374 2.454 10 50 FECA O=C1NC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N1 4703316 AGCGOBFROXOLJI-UHFFFAOYSA-N 360.709 2.048 10 50 FECA O=C(O)[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1C1CC1 1565512961 PIBCOYLCCOCRBM-SJORKVTESA-N 358.438 2.427 10 50 FECA Cc1cccc(CS(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 13670160 KEGTZGJVKWHZOT-UHFFFAOYSA-N 360.479 2.451 10 50 FECA COc1ccc(N2CCN(C(=O)c3cnc(N(C)C)nc3C)[C@H](C)C2)cc1 72459005 IUIFHSZRFIUHCB-CQSZACIVSA-N 369.469 2.211 10 50 FECA Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCCc1ccccc1 226975869 SBPGWPDYCRGVBE-OAGGEKHMSA-N 370.413 2.165 10 50 FECA CNC(=O)c1ccn([C@H]2CCCN(Cc3ccc4c(c3)CCN4C)C2)n1 328630593 JOVYRNOBTRILDH-KRWDZBQOSA-N 353.470 2.072 10 50 FECA C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1O 638494 YTZRBQIEUYQFPK-SECBINFHSA-N 354.815 2.184 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 916272 NJUZQSRTCYBCJJ-UHFFFAOYSA-N 362.451 2.215 10 50 FECA COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1OC 49740634 FBOFDQXKIPEXDO-UHFFFAOYSA-N 369.465 2.386 10 50 FECA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 897923 UULCJRGIRBBPAN-CCAPLTMGSA-N 372.377 2.446 10 50 FECA COc1ccc(Br)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O 1180447 QCXBHYISEZEWQF-UHFFFAOYSA-N 369.240 2.056 10 50 FECA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(O)cc1 1176901 OKTCJEXPHQNXQK-UHFFFAOYSA-N 369.446 2.398 10 50 FECA Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)cc2)cn1 328624558 CNBLZYYMUVPCTP-VQTJNVASSA-N 356.470 2.267 10 50 FECA CC1CCN(c2ccc(CNC(=O)c3nn(C)cc3C(=O)O)cc2)CC1 20614941 YORUZKYVRKUOAG-UHFFFAOYSA-N 356.426 2.285 10 50 FECA COc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)ccc1O 5043601 KWTFBANJZONJNS-GXDHUFHOSA-N 352.346 2.409 10 50 FECA c1ccn2c(CNC3CCN(c4ccc5c(c4)OCO5)CC3)nnc2c1 1506429709 ZAIPCHVXXVVYFB-UHFFFAOYSA-N 351.410 2.217 10 50 FECA C[C@H]1CCCCN1c1ccc(CNC(=O)c2c(C(=O)O)cnn2C)cc1 20615002 GXDAZCHOXHBEAI-ZDUSSCGKSA-N 356.426 2.427 10 50 FECA COc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1O 155350234 NXHWCIZVYBLVRG-CQSZACIVSA-N 358.394 2.305 10 50 FECA c1cc2c(cc1N1CCC(NCc3cn4c(n3)SCC4)CC1)OCO2 1506398024 RSNFKGDPHGOJNU-UHFFFAOYSA-N 358.467 2.476 10 50 FECA Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 16662202 SBQDEPSIAOXZNK-OYUORYAFSA-N 351.405 2.124 10 50 FECA COC(=O)/C=C/c1ccc(N2CC[C@H](C)[S@@](=O)CC2)c([N+](=O)[O-])c1 252538302 MXAPSEHZAQSUQD-CYBVBZOMSA-N 352.412 2.128 10 50 FECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCOCC1 366918147 UJCKDYCDGRTYAT-OAHLLOKOSA-N 350.434 2.220 10 50 FECA O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N1 1188933 NNQSVKUXGUVGCR-UHFFFAOYSA-N 364.386 2.350 10 50 FECA COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1O 13773545 MOHSTXXHCFRVMG-JYRVWZFOSA-N 374.393 2.204 10 50 FECA COc1ccc(N2CCN(CC(=O)NCCc3ccccc3)CC2)cc1 55060446 FQPQTKZMCWHMPT-UHFFFAOYSA-N 353.466 2.176 10 50 FECA COc1ccc(CC(=O)c2ccc(O)c(CN3CCOCC3)c2O)cc1 23135360 RMEYZDNGILBNQN-UHFFFAOYSA-N 357.406 2.364 10 50 FECA biogenic Cc1ccc(N2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3O)C2=O)cc1C 12338893 QVZZYVKWNLHGQX-ZROIWOOFSA-N 353.334 2.379 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccccc1F 1063040 WPSGUGQHEVYVNE-UHFFFAOYSA-N 356.378 2.319 10 50 FECA COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c(OC)c1 1189724 JNAIAPSKWQGYMF-QJZKUFFDSA-N 353.421 2.378 10 50 FECA COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O 1225798 OLHYRNAWSVFKTH-LCYFTJDESA-N 354.387 2.232 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3O)C2=O)cc1 19788641 QLODRIAWTRRRQZ-UVTDQMKNSA-N 368.345 2.076 10 50 FECA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 183466981 YGNZFDHMQSINHW-HIFRSBDPSA-N 372.421 2.433 10 50 FECA COc1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 13755408 OCZWICVUAMVRJG-UHFFFAOYSA-N 350.422 2.254 10 50 FECA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 4044799 ADYFGVKDSDGQAR-KRWDZBQOSA-N 361.442 2.349 10 50 FECA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 96439032 HHZZFPFELRVODB-UHFFFAOYSA-N 359.319 2.315 10 50 FECA Cc1cccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 65365746 QZDTZISQFWZMMN-UHFFFAOYSA-N 353.466 2.442 10 50 FECA C=CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 859675464 IKHOZCBVPJQLQO-CYBMUJFWSA-N 367.396 2.017 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 6659049 XUXCCKKJHPZNBH-GXDHUFHOSA-N 352.346 2.370 10 50 FECA C[C@@H]1CCCCN1c1ccc(CNC(=O)c2c(C(=O)O)cnn2C)cc1 20615000 GXDAZCHOXHBEAI-CYBMUJFWSA-N 356.426 2.427 10 50 FECA COCCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C 2285349 XFVDDZLJTFNYFU-KAMYIIQDSA-N 360.366 2.304 10 50 FECA COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[S@@](=O)CC2)c([N+](=O)[O-])c1 225439653 MXAPSEHZAQSUQD-PUKNZIKXSA-N 352.412 2.128 10 50 FECA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 4713638 WTHZWGJMMKRRLX-UHFFFAOYSA-N 366.373 2.414 10 50 FECA COc1ccc(N2CCN(c3nc4c(cc3C(N)=O)CCC4)[C@@H](C)C2)cc1 95358689 RNSBSTXZBZCCSX-AWEZNQCLSA-N 366.465 2.393 10 50 FECA CN(C)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 16511242 MQGVQWCZEWNZNN-ATVHPVEESA-N 364.405 2.327 10 50 FECA CC(C)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 2507807 PZEZREAXPPFVPG-FLIBITNWSA-N 360.464 2.346 10 50 FECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn2c(n1)CCCC2 252484419 FVTKJWUXYOEFST-UHFFFAOYSA-N 372.444 2.250 10 50 FECA O=C(O)Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 12376654 OGFPIOFDEKLQHV-MHWRWJLKSA-N 361.357 2.187 10 50 FECA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cn1 15856135 ZVVYABXCESVPAI-POHAHGRESA-N 358.354 2.004 10 50 FECA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\C=C\c1ccco1 13426544 ZYVBQDPEHDVNPV-HYLYESJESA-N 357.391 2.289 10 50 FECA CCOc1nc(OCC)nc(N2CCN(c3ccc(OC)cc3)CC2)n1 891014 KPVWWFYKVQNRIJ-UHFFFAOYSA-N 359.430 2.004 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 912592 RKMSNHUQEFXSFK-UHFFFAOYSA-N 350.415 2.345 10 50 FECA COc1ccc(N2CCN(C[C@H](O)COc3ccccc3OC)CC2)cc1 20819120 YCSQACHRPANRIW-SFHVURJKSA-N 372.465 2.266 10 50 FECA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCOCC1 1218307 VOCBVXQCVSRCKZ-ZRDIBKRKSA-N 368.505 2.198 10 50 FECA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cccc([N+](=O)[O-])c1 100640595 PHOGVUOGBWNTDQ-UVTDQMKNSA-N 352.306 2.174 10 50 FECA COc1ccc(N2CCN(C(=O)CCc3cc(O)no3)CC2(C)C)cc1 77407411 UNKYIAHFYNAYAG-UHFFFAOYSA-N 359.426 2.449 10 50 FECA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1O 4148431 WDRZVWVOFBUCPB-KRWDZBQOSA-N 373.434 2.461 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 1197344 YAPPSZGVIMWSKO-GZTJUZNOSA-N 366.373 2.366 10 50 FECA CCCN1C(=O)/C(=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21 13424015 BCENLZOVADKGLP-PFONDFGASA-N 357.435 2.116 10 50 FECA COc1ccc(N2CCN(C[C@@H](O)COCc3ccccc3)CC2)cc1 4819455 VENMRPDCDJMAPA-HXUWFJFHSA-N 356.466 2.395 10 50 FECA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(Cl)c1 2082930502 CBLMOFNORYMQEE-ZDUSSCGKSA-N 353.831 2.041 10 50 FECA COc1ccccc1/C=C1/C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 15276807 GPWIRYNJWOERIT-GDNBJRDFSA-N 354.337 2.496 10 50 FECA N[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 237857189 PMIZHDVDHUMKTK-HOCLYGCPSA-N 371.403 2.286 10 50 FECA COc1ccc(N/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)cc1 101267716 ZYKBYMVWSFCXRR-NTEUORMPSA-N 357.391 2.331 10 50 FECA COc1ccc(N2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 55562702 HCIHWNIDRAHPKM-UHFFFAOYSA-N 355.438 2.465 10 50 FECA CSCC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C(=O)O 95352151 QAXSEYIHVAWMKA-INIZCTEOSA-N 361.467 2.484 10 50 FECA Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O 4365819 DCYBHNIOTZBCFS-CCEZHUSRSA-N 357.369 2.178 10 50 FECA in-vitro C[C@H]1CCCN(c2ccc(CNC(=O)c3ccn4nnnc4c3)cc2)C1 97743277 DHYQGJCZADLHFV-AWEZNQCLSA-N 350.426 2.291 10 50 FECA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\NCc1ccc(F)cc1 2892869 JHYORHOKVUVVHM-GDNBJRDFSA-N 373.384 2.386 10 50 FECA COc1ccc(N(CC(=O)O)CC(=O)N2CCc3ccccc3C2)cc1 34926560 MWBJAGYJFSDARP-UHFFFAOYSA-N 354.406 2.171 10 50 FECA CCNC(=O)C[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C 72432766 NUFQUHSOTBTRGF-GOSISDBHSA-N 369.465 2.461 10 50 FECA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1235880 IVAGRMBXBDRWGL-NIANNCQZSA-N 362.432 2.319 10 50 FECA COc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)c([N+](=O)[O-])c1 979420 GEMHZVVKWYEHJV-UHFFFAOYSA-N 357.278 2.453 10 50 FECA CCN(CC)c1ccc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1 2829096 SHNRTMBRSNTDHI-PTNGSMBKSA-N 361.467 2.106 10 50 FECA COc1ccc(N2CCN(C(=O)c3cnc(N(C)C)nc3C)[C@@H](C)C2)cc1 72459003 IUIFHSZRFIUHCB-AWEZNQCLSA-N 369.469 2.211 10 50 FECA CCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 5202920 SGOHAHGOCKTTNA-SEYXRHQNSA-N 362.432 2.099 10 50 FECA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(O)c3)C2=O)cc1 2919893 CBQUANJKIXCOFE-LFIBNONCSA-N 352.346 2.457 10 50 FECA O=C(NCc1ccc(O)cc1O)c1cc(COc2ccccc2F)[nH]n1 67696776 SEQBHSBNYVEMKF-UHFFFAOYSA-N 357.341 2.469 10 50 FECA Cc1cc(Br)c2c(c1)/C(=C1/SC(=S)N(N)C1=O)C(=O)N2 100837329 WJPAQGCMAVKUFN-CLFYSBASSA-N 370.253 2.155 10 50 FECA Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)o1 1189950 KTMRXDRNSARYLN-UHFFFAOYSA-N 362.345 2.190 10 50 FECA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 16309500 GGKLMKDQQJJQTQ-UVTDQMKNSA-N 352.346 2.457 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(C)C1=S 1180241 NSGXDQAPKVVCEM-UHFFFAOYSA-N 371.374 2.454 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCCOc1ccccc1 2948330 ZJUYJKMQXGLWCC-UHFFFAOYSA-N 368.414 2.059 10 50 FECA COc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 4757561 ZKSNXKLCEVOMNG-UHFFFAOYSA-N 355.394 2.495 10 50 FECA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 14009357 AKCQYSSRNRFWOF-PTNGSMBKSA-N 360.366 2.304 10 50 FECA COc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 10113304 DTLRELQMJUUIAV-UHFFFAOYSA-N 370.449 2.399 10 50 FECA Cn1cc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cn1 2807805 GVZBHRZSOCGTMA-SJWLEHQBSA-N 373.459 2.317 10 50 FECA COc1cc(OC)c(/C=C2\NC(=S)N(C)C2=O)cc1Br 1179941 NMLHZSDDENWYKO-UITAMQMPSA-N 357.229 2.154 10 50 FECA COCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C 2916760 XQGGYLCAEDKZCA-PTNGSMBKSA-N 360.366 2.304 10 50 FECA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)cc1-n1c(C)ccc1C 219939722 FXWYHPNUSPJSAU-UYAOXDASSA-N 372.465 2.299 10 50 FECA CCOc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 876896 LEKPHCBQFOTWEJ-ZROIWOOFSA-N 370.361 2.349 10 50 FECA COc1ccc(N2CCN(C(=O)c3cccc(-n4cnnc4)c3)CC2)cc1 6703029 HJPDAQKZWZRYAW-UHFFFAOYSA-N 363.421 2.238 10 50 FECA Cc1ccc(C(=O)Oc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1 1175061 FGHBNAGMOVJZCP-UHFFFAOYSA-N 366.398 2.129 10 50 FECA C[C@H]1CN(c2ccc(CNC(=O)N3CCO[C@H](C)C3)cc2F)C[C@H](C)O1 229582577 KMLJZPTUICSXAE-ILXRZTDVSA-N 365.449 2.370 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1O 15659235 VMWGZKPCTNEYLL-XFXZXTDPSA-N 368.345 2.076 10 50 FECA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(F)c1 1201916 JDCBGLMYIQTYEP-UHFFFAOYSA-N 370.336 2.163 10 50 FECA Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)c(F)c2)cn1 328631514 KNKBYXLRSFCGFI-AZUAARDMSA-N 374.460 2.406 10 50 FECA CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc([N+](=O)[O-])c1O 130334559 ATKAZBRLVBBRBR-UHFFFAOYSA-N 371.393 2.409 10 50 FECA O=C1/C(=C\c2cccc(F)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1122697 RCVRAZZKFIFUFA-LAPSENCUSA-N 357.453 2.214 10 50 FECA Cc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 16662204 SBQDEPSIAOXZNK-CHPNCVJKSA-N 351.405 2.124 10 50 FECA Cc1ccccc1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2776127 VTAQCRJTDQDXDF-UHFFFAOYSA-N 352.415 2.488 10 50 FECA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc2c(c1)OCO2 13400079 OCIYAONYOFHAAA-ZROIWOOFSA-N 359.378 2.124 10 50 FECA COc1cccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 13645895 SGSJXGMNROGENM-JYVXZMADSA-N 369.489 2.084 10 50 FECA COc1ccc(CN/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 2892762 WWGVXYIRKLCOKL-KAMYIIQDSA-N 369.352 2.091 10 50 FECA COc1ccc(N2CCN(C(=O)COC[C@@H]3CCCO3)CC2(C)C)cc1 91625676 VBVQPNTVQVSPGR-SFHVURJKSA-N 362.470 2.318 10 50 FECA CC[C@H](C)N1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)C(=O)NC1=S 4471020 JVOMQECGXWSYCH-ZENNRRHLSA-N 354.435 2.298 10 50 FECA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\NCc1ccccc1F 2892861 DCRFRSUCDJTZPY-BENRWUELSA-N 357.316 2.221 10 50 FECA O=C(NC[C@H]1CCC2(CCN(Cc3ccccc3O)CC2)O1)[C@@H]1CCCO1 11872857 ZRKARFSFEWFNDF-MJGOQNOKSA-N 374.481 2.201 10 50 FECA CN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 12416821 YZJYXMCITKSSOT-YAWLZAOSSA-N 360.460 2.413 10 50 FECA COc1ccc(N2CC3(CN(C(=O)Cc4ccc5c(c4)OCO5)C3)C2)cc1 2100543061 KYMICYLJUAXACJ-UHFFFAOYSA-N 366.417 2.315 10 50 FECA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1235882 IVAGRMBXBDRWGL-JPQYHBGPSA-N 362.432 2.319 10 50 FECA COc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 36384511 OVGKGOCKQDNRIG-QPEQYQDCSA-N 369.333 2.079 10 50 FECA CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 252444089 HYJXQSBVTSHATN-RTBURBONSA-N 371.481 2.088 10 50 FECA O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1 2872920 OCOJRWXBHAHGMM-UHFFFAOYSA-N 354.347 2.057 10 50 FECA COc1ccc(N2CCN(C(=O)CN3CCc4ccccc4C3)CC2)cc1 34858755 PEWAFZMVTLEZSN-UHFFFAOYSA-N 365.477 2.402 10 50 FECA CCOc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 1186455 NRHKHRCVSMCUNC-UHFFFAOYSA-N 368.842 2.346 10 50 FECA COc1ccc(N2CCN(C(=O)COc3ccccc3OC)CC2)cc1 2989516 SDDLPQBEROHOHV-UHFFFAOYSA-N 356.422 2.431 10 50 FECA COc1ccc(N2CCN(C(=O)c3cccc(CO)n3)CC2(C)C)cc1 77505911 DPDFRYBCQMBNFJ-UHFFFAOYSA-N 355.438 2.324 10 50 FECA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(O)c1O 170600717 GMUFPBYJYPCUHI-HNNXBMFYSA-N 354.406 2.061 10 50 FECA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccncc2)SC1=S 5846079 VWFQQYPZLQVCJJ-NGPGYTDTSA-N 354.478 2.489 10 50 FECA CCOc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1O 1826291 SNOSLJVEJGIIQG-OTIXFSKASA-N 353.421 2.465 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(C)C1=S 4723736 QWDHQBDDVPVNCH-UHFFFAOYSA-N 370.386 2.244 10 50 FECA Cc1noc(COCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 114332378 HHVDGELXOFBRBM-UHFFFAOYSA-N 358.442 2.447 10 50 FECA O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1909861 NFCFWBGPXXNSSR-QFQXNISHSA-N 371.823 2.469 10 50 FECA O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1188066 ZAGIRWNHLSYIMT-LAPSENCUSA-N 357.453 2.214 10 50 FECA COc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 49740641 YRYVQTAFWXLKDF-UHFFFAOYSA-N 353.466 2.306 10 50 FECA CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1 49740687 FUUHQMUOVDBRKB-UHFFFAOYSA-N 363.458 2.056 10 50 FECA Cc1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1 2997164 ZJRHAMYTGDOVGG-UHFFFAOYSA-N 366.373 2.202 10 50 FECA CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1O 13576641 SNOSLJVEJGIIQG-HLPMDPMVSA-N 353.421 2.465 10 50 FECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 2892834 QOTJGGGSJPEURZ-WJDWOHSUSA-N 367.361 2.283 10 50 FECA COc1cccc(C(=O)N2CCN(Cc3cccc(OC)c3O)CC2)c1 65410600 ZVMYROXIWLZSER-UHFFFAOYSA-N 356.422 2.367 10 50 FECA CN(C)c1ncc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N=C2O)cn1 1152836 QUXXIHWEMONHOM-MDWZMJQESA-N 359.455 2.342 10 50 FECA [N-]=[N+]=NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 252485973 HGHJIFNOKMTXHY-OBJOEFQTSA-N 354.480 2.309 10 50 FECA in-vitro COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c(OC)c1 26771506 JNAIAPSKWQGYMF-UGZWPXFQSA-N 353.421 2.378 10 50 FECA O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S 72414735 VISHSGZPGQKEFX-KHPPLWFESA-N 368.823 2.338 10 50 FECA in-vitro Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 177115582 AVEOAKWUTQXORT-UHFFFAOYSA-N 367.409 2.489 10 50 FECA O=C(c1cn(C[C@@H]2CCCN(Cc3ccccc3O)C2)nn1)N1CCCC1 12079712 VTXNHVKCVUFUOS-MRXNPFEDSA-N 369.469 2.132 10 50 FECA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)Nc1ccc(O)c(O)c1 2325781453 QIQOWTSLMLZRJN-OEPMTFCVSA-N 357.410 2.247 10 50 FECA Cn1cc(CN2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cn1 20606626 PTMWCDPCZYRCBT-BOPFTXTBSA-N 367.478 2.208 10 50 FECA COc1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1 10113285 XQJVTHKTCRLZSP-UHFFFAOYSA-N 356.422 2.227 10 50 FECA COc1cccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 65363977 FZZQMPFRTQMWEP-UHFFFAOYSA-N 369.465 2.142 10 50 FECA COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)cc1 1174855 BPSWKRGMOOWQSO-MHWRWJLKSA-N 353.378 2.194 10 50 FECA COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)C(=O)N=C2O)cc1 18271837 IECWPNSBYHMJBL-GDNBJRDFSA-N 366.329 2.264 10 50 FECA O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCN1C(=O)c1ccccc1 378508675 RSTUGQRAZLHTNH-MRXNPFEDSA-N 354.406 2.409 10 50 FECA COc1ccc(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2(C)C)cc1 95392444 UDSPZQVPRUNJOC-UHFFFAOYSA-N 372.421 2.398 10 50 FECA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 1192853 FMIOCORUXMKKMM-RIYZIHGNSA-N 350.330 2.390 10 50 FECA COc1ccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 56930482 JNQACUZWBSCLDV-UHFFFAOYSA-N 365.433 2.113 10 50 FECA O=C(O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 966954 PNDTVNYIGWIIRZ-GHXNOFRVSA-N 351.405 2.481 10 50 FECA COC(=O)c1cc(C)cc([C@@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356139711 IJSJLWYVFMQCRN-HNNXBMFYSA-N 355.346 2.269 10 50 FECA COc1ccc(Cl)cc1-n1c(C)cc(C(=O)NS(C)(=O)=O)c1C 1875390729 DBWDPNPDNQAMHV-UHFFFAOYSA-N 356.831 2.446 10 50 FECA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc[nH]1 2279475 WTHGEZOCRXMSJQ-XYOKQWHBSA-N 360.167 2.444 10 50 FECA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCOCC3)ccc12 2843771 XXGAOFLUSSWRPN-UHFFFAOYSA-N 369.373 2.192 10 50 FECA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 100296135 CZWWQXYXYBBROQ-KHPPLWFESA-N 355.325 2.413 10 50 FECA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1O 711660 CQAOIUKPSORVEY-FLIBITNWSA-N 356.309 2.206 10 50 FECA CCN(CC)CCNC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 22241656 JTLTXGOUPVVGHD-UHFFFAOYSA-N 363.502 2.071 10 50 FECA Cn1cc(O[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]2O)cn1 862433424 FUPQFZJILRYYBR-WOJBJXKFSA-N 356.470 2.035 10 50 FECA C[S@@](=O)c1cc(N)ccc1/N=N/c1cccc(S(=O)(=O)CCO)c1 1481522480 KCDBCNBUMQMSCN-SDFCAVLBSA-N 367.452 2.188 10 50 FECA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 36034007 NSDWXCZFGBHFQY-RHSMWYFYSA-N 353.334 2.470 10 50 FECA biogenic O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N1 2950282 ZQWRXWDDUSKASY-UHFFFAOYSA-N 370.748 2.309 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 22107383 FSCRUHIBNVEGKN-XNTDXEJSSA-N 352.346 2.370 10 50 FECA COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(OC)c1OC 1201219 MCRVOLFLXNSEQJ-SDNWHVSQSA-N 354.362 2.174 10 50 FECA COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O 15659301 DNQKMVGMEMHWFK-ZSOIEALJSA-N 370.336 2.202 10 50 FECA O=C1NC(=O)C(=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)C(=O)N1 1178278 KSMGUZXVVKDMIW-UHFFFAOYSA-N 370.748 2.309 10 50 FECA C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1O 638492 YTZRBQIEUYQFPK-VIFPVBQESA-N 354.815 2.184 10 50 FECA Cc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 49740660 FGNTVAMBKITEEU-UHFFFAOYSA-N 353.466 2.442 10 50 FECA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 3902560 BTVWTRDTYYVLSE-KRWDZBQOSA-N 361.442 2.350 10 50 FECA CCCCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=O)NC1=O 2472479 IXUONWIHKRIYGM-UHFFFAOYSA-N 359.426 2.461 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3ccccc3C(=O)O)o2)C(=O)N(C)C1=O 2891552 JZCQHNRDUKBUQH-UHFFFAOYSA-N 354.318 2.079 10 50 FECA COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1 225439621 MXAPSEHZAQSUQD-FBNMTROVSA-N 352.412 2.128 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC)C2=O)c1 4989896 YBXOPDDQZNTMSQ-GDNBJRDFSA-N 352.346 2.370 10 50 FECA CC[C@@H](C)N1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)C(=O)NC1=S 4471019 JVOMQECGXWSYCH-CDCQXCROSA-N 354.435 2.298 10 50 FECA COc1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 916491 NNZBVWVIKGFXTQ-LJQANCHMSA-N 354.406 2.184 10 50 FECA COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 13343403 AWSDWAJDVYFTCG-FLIBITNWSA-N 351.405 2.149 10 50 FECA O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1cccnc1 2869709 QDXXNRJLFBPVRH-QPEQYQDCSA-N 373.415 2.039 10 50 FECA COc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 67601974 UMOYKSHSHLPHHH-UHFFFAOYSA-N 369.465 2.142 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15659299 IRGZLCWXCFXCLU-YBEGLDIGSA-N 354.337 2.496 10 50 FECA COc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1005089 RXUPYOOICPCNPB-JYVXZMADSA-N 369.489 2.084 10 50 FECA N[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 237924220 PMIZHDVDHUMKTK-GOEBONIOSA-N 371.403 2.286 10 50 FECA CN1C(=O)C(=CNc2ncc(C(F)(F)F)cc2Cl)C(=O)N(C)C1=O 6816806 KAUGSDDELIRIJN-UHFFFAOYSA-N 362.695 2.100 10 50 FECA CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 5102588 MLWUDCGPXZZXHF-UHFFFAOYSA-N 370.386 2.038 10 50 FECA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 13400074 HKDYWOKFSOWPFC-KAMYIIQDSA-N 360.366 2.304 10 50 FECA COc1ccc(N2CCN(C(=O)CCCn3cncn3)CC2(C)C)cc1 82127077 OFYQYKQRLIUVFM-UHFFFAOYSA-N 357.458 2.194 10 50 FECA COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 13546442 GBHOKGNPSXJVAW-UVTDQMKNSA-N 367.317 2.270 10 50 FECA Cc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 4982656 SKBMGWQTVKZKKL-RGEXLXHISA-N 363.417 2.293 10 50 FECA COC(=O)c1cccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c1 1197813 WLIUMUNVTKLQBD-UHFFFAOYSA-N 368.345 2.167 10 50 FECA COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 100676721 OREQBSAEMUMLFL-NGERZBJRSA-N 361.419 2.485 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1O 15013471 OXPUWLGQWWZOBN-JYRVWZFOSA-N 372.377 2.371 10 50 FECA COc1ccc(N2CCN([C@@H]3CCCN(CC(C)(C)CO)C3)CC2)cc1 20541256 CMELNRRWBCRIOC-LJQANCHMSA-N 361.530 2.300 10 50 FECA N[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 237895770 LTWJXKVPBBLCFR-JSGCOSHPSA-N 371.403 2.286 10 50 FECA CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1O 13343397 VULAOWDMCOHWSW-WQLSENKSSA-N 353.421 2.467 10 50 FECA CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2O 19323000 SUBBLAPVQXFTRZ-UHFFFAOYSA-N 353.260 2.172 10 50 FECA biogenic CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 12416819 YZJYXMCITKSSOT-DZOVYVGFSA-N 360.460 2.413 10 50 FECA CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 1082106 MZBWHKZADWPWEA-CYBMUJFWSA-N 357.332 2.486 10 50 FECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 2892748 YNDMTRVZLCOKAM-RAXLEYEMSA-N 355.325 2.413 10 50 FECA CC(C)N1CCC(N2CCN(Cc3ccccc3O)C[C@H]2CCO)CC1 104465389 LKWULCJLDSAUCB-HXUWFJFHSA-N 361.530 2.134 10 50 FECA COc1ccc(OC)c(CN2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)c1 22107450 RXIARSBWMFWQJE-NTEUORMPSA-N 372.402 2.427 10 50 FECA COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@@H](C)C2)cc1 72426946 CPOMCYRXCLDKBO-ZDUSSCGKSA-N 368.437 2.007 10 50 FECA N[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 237890719 PMIZHDVDHUMKTK-ZBFHGGJFSA-N 371.403 2.286 10 50 FECA Cc1ccc(O)c(CNC(=O)NCCc2cccc(C(=O)N(C)C)c2)c1 858248503 YCODOVWESDMQPO-UHFFFAOYSA-N 355.438 2.444 10 50 FECA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cn1 15856546 UGKVBYBYYXUFEW-XGICHPGQSA-N 358.354 2.004 10 50 FECA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(N2CCOCC2)cc1 328645183 SBXHRNIEAFJHOE-FXAWDEMLSA-N 356.470 2.124 10 50 FECA Cc1cccc(N2C(=O)NC(=O)/C(=C/NCc3ccc(F)cc3)C2=O)c1 5648143 MQVSKAFAEPYZOV-WJDWOHSUSA-N 353.353 2.391 10 50 FECA COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1 2958962 KIJJPXYTKRRJDH-LFIBNONCSA-N 366.373 2.366 10 50 FECA CCN(CC)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c(OC)c1 4954487 DRJCBQPLFWXNME-VQHVLOKHSA-N 360.370 2.409 10 50 FECA COC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 2277203 XIFCQCVLPAEKCI-GHXNOFRVSA-N 351.405 2.180 10 50 FECA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 16662488 WGJBDYQYPTVKBH-JYRVWZFOSA-N 369.308 2.133 10 50 FECA COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c(OC)c1 1189727 JNAIAPSKWQGYMF-VNUQYUTRSA-N 353.421 2.378 10 50 FECA COc1ccc(N2CC3(CN(C(=O)[C@H]4CC(=O)OC45CCCC5)C3)C2)cc1 2100543631 WEFSVYPSRAHTOD-QGZVFWFLSA-N 370.449 2.220 10 50 FECA COc1ccc(N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 100799398 ZLMRXHAVINLZGK-USJZOSNVSA-N 358.438 2.091 10 50 FECA CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCCO)c2ccccc21 4063385 KOTYTERACLWGKP-SSZFMOIBSA-N 361.401 2.296 10 50 FECA biogenic Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 328637790 OVFQUYKDZOPFKW-OALUTQOASA-N 356.470 2.267 10 50 FECA CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)C1=O 5248172 UHQPSNKGXIHFOU-NTEUORMPSA-N 350.330 2.424 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C/NCc3ccc(F)cc3)C2=O)cc1 5578691 HWUBYJCITTYBJD-WJDWOHSUSA-N 369.352 2.091 10 50 FECA COc1ccc(N2CCN(C(=O)[C@H](O)CCSC)CC2(C)C)cc1 77420030 FHQLPEZDWOFVFJ-MRXNPFEDSA-N 352.500 2.236 10 50 FECA Cc1ccn2c(C(=O)NCc3ccc(N4CCOCC4)cc3)cnc2c1 129737271 CWJBOFJOBHBLNC-UHFFFAOYSA-N 350.422 2.409 10 50 FECA CCc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 2299806 KSZWNNFXNYQMBS-FMIVXFBMSA-N 357.478 2.338 10 50 FECA COc1ccc(N2CCN(C(=O)CCc3nc(Cl)n[nH]3)[C@H](C)C2)cc1 72475373 XNXAQOVTXUFOCB-GFCCVEGCSA-N 363.849 2.137 10 50 FECA Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)OCO4)C2=O)c1 16662471 UEUYSDXOODRJPZ-ZROIWOOFSA-N 365.345 2.303 10 50 FECA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1O 4991558 UETLSICTJXXLAW-XFXZXTDPSA-N 368.345 2.076 10 50 FECA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1OC 1085302 GPFFMRJBQOQJPA-SDNWHVSQSA-N 352.346 2.370 10 50 FECA Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(N3CCOCC3)cc2)cn1 328628859 HQYQQBMLAULMOX-QUCCMNQESA-N 369.469 2.207 10 50 FECA O=C(c1cn(C[C@H]2CCCN(Cc3ccccc3O)C2)nn1)N1CCCC1 12079713 VTXNHVKCVUFUOS-INIZCTEOSA-N 369.469 2.132 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 1177934 KOHWFRDFDKIHAQ-UVTDQMKNSA-N 358.394 2.498 10 50 FECA CC[C@]12C[C@H]1CN(C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)C2 1875303590 FCVURYANBTVTRH-LLGFUMIMSA-N 370.497 2.330 10 50 FECA Cc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 1909870 SBQDEPSIAOXZNK-OTXQMUPVSA-N 351.405 2.124 10 50 FECA CN(C)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 13322845 PWPNETUSQSBATQ-UHFFFAOYSA-N 359.495 2.259 10 50 FECA O=C(COc1c(Cl)cccc1Cl)NN1C(=O)CSC1=S 4106689 OGEJUIAAEVOLSD-UHFFFAOYSA-N 351.236 2.264 10 50 FECA COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 100676724 OREQBSAEMUMLFL-VDUILEQBSA-N 361.419 2.485 10 50 FECA CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 1476218 FMZCKMVNZDGWKM-KPKJPENVSA-N 353.421 2.380 10 50 FECA Oc1ccc(Br)cc1CNC1CCN([C@H]2CCOC2)CC1 848911723 XQTUGJFQXGPVFH-HNNXBMFYSA-N 355.276 2.498 10 50 FECA COCCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 2825833 DSKKOVDMSUZWBN-VBKFSLOCSA-N 373.405 2.182 10 50 FECA COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)cc1 1173286 JOBNOTDCVBAWGK-RVDMUPIBSA-N 350.330 2.140 10 50 FECA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC 977275 FCJYIEPERBLRNM-NTEUORMPSA-N 354.362 2.174 10 50 FECA CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O 3812842 TYNLGDBUJLVSMA-UHFFFAOYSA-N 368.297 2.011 10 50 FECA biogenic,world COCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C 2126756 ZRNDXMMGJCUUJB-UVTDQMKNSA-N 361.394 2.110 10 50 FECA biogenic CC1(C)OCC([N+](=O)[O-])(/[N+](O)=N/c2nonc2NC2CCCCC2)CO1 225422146 VEPOWCWPTAIKLM-UHFFFAOYSA-N 371.374 2.056 10 50 FECA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccnc1 1149040 YQPQBWSCKZVPHH-UHFFFAOYSA-N 354.435 2.088 10 50 FECA CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 1151117 JTFCNSCUTRTZGU-LLVKDONJSA-N 362.451 2.471 10 50 FECA Cc1c(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)n(C)c2ccc(F)cc12 426436469 FFMYDNYVOTXYSB-UHFFFAOYSA-N 356.405 2.346 10 50 FECA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1Cl 2082927027 WXRBJIMGZAPWLO-LLVKDONJSA-N 353.831 2.041 10 50 FECA COC(=O)c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1Cl 193337918 HVESSLRFLVGZBY-UHFFFAOYSA-N 368.842 2.230 10 50 FECA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5043731 WXCPVQPBCWENCR-ZSOIEALJSA-N 350.330 2.390 10 50 FECA CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(OCC)C3=O)ccc21 2049450323 RVWLLRVHBKOSBB-UHFFFAOYSA-N 357.410 2.263 10 50 FECA CCCCN/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 19595349 IPGINQFOSSNNRD-XFXZXTDPSA-N 366.215 2.306 10 50 FECA N[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 237953906 PMIZHDVDHUMKTK-GDBMZVCRSA-N 371.403 2.286 10 50 FECA O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5749522 MSYMKEYWUWVZQY-TWGQIWQCSA-N 351.677 2.442 10 50 FECA in-vitro CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)CC1 4362638 IWHWEPQDOVUNNC-UHFFFAOYSA-N 359.495 2.058 10 50 FECA COc1ccc(N2CCC(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)CC2)cc1 1704311429 JEVZFMXRHUDWFG-FGZHOGPDSA-N 373.541 2.443 10 50 FECA Cc1ccc(N2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1C 16667403 DVZWUMZLZBYLSE-DHDCSXOGSA-N 353.334 2.379 10 50 FECA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc[nH]4)C3)CC2)cc1 72135521 VGHBETNUZNHFQQ-SFHVURJKSA-N 368.481 2.450 10 50 FECA COCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(C(=O)OC)=C1C 2075896 OPKBXBOGAMUUQD-LGMDPLHJSA-N 358.438 2.462 10 50 FECA CNC(=O)Cn1cc(-n2ccnc2-c2ccc(N3CCCC3)cc2)cn1 1857704496 UTQVIFRHFQRKBL-UHFFFAOYSA-N 350.426 2.082 10 50 FECA COC(=O)c1cc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)ncn1 77419787 GTOWZDKVSRNZFD-UHFFFAOYSA-N 356.426 2.377 10 50 FECA Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13648442 QYUVOQGGZMTLHO-UHFFFAOYSA-N 360.479 2.451 10 50 FECA COc1ccc(N(CC(=O)O)CC(=O)NCCc2cccc(F)c2)cc1 34926468 UFMGEOFBTVNVHZ-UHFFFAOYSA-N 360.385 2.084 10 50 FECA COc1ccc(N2CCN(C(=O)COC[C@H]3CCCO3)CC2(C)C)cc1 91625677 VBVQPNTVQVSPGR-GOSISDBHSA-N 362.470 2.318 10 50 FECA CN(C)C(=O)c1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 173202627 MFSGSMZKSJZVEN-UHFFFAOYSA-N 353.422 2.494 10 50 FECA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 853852 WLWMCQUPJCQUJY-DOTOQJQBSA-N 359.426 2.103 10 50 FECA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3ccc(N)cc3)C1)CC2 1704354663 IEFYSRGGSVSOIM-NRFANRHFSA-N 365.481 2.174 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)c1 5607736 WHSXJMPTDWUZAL-GDNBJRDFSA-N 355.325 2.413 10 50 FECA CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C 1170772 CJJFIUXAKXLJGL-JYRVWZFOSA-N 361.394 2.405 10 50 FECA COc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 3005607 APUMJPMIBLFJHG-RVDMUPIBSA-N 353.403 2.439 10 50 FECA O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N1 1120973 VGCNWVAVOGFSAC-UHFFFAOYSA-N 370.748 2.309 10 50 FECA CN1C(=O)C(=Cc2ccccc2OC(=O)c2ccccc2)C(=O)N(C)C1=O 1090011 QCRIVRFMBNBQQI-UHFFFAOYSA-N 364.357 2.340 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1cccc(F)c1 1174979 NXOBBVJZNZKJFP-UHFFFAOYSA-N 356.378 2.319 10 50 FECA COc1ccc(N2CCC(N3CCn4nc([C@@H](C)O)cc4C3)CC2)cc1 218755432 SKPGOABFODUSDU-OAHLLOKOSA-N 356.470 2.430 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 1434898 FEJWJIBSRLSJBZ-NTEUORMPSA-N 368.345 2.076 10 50 FECA COc1ccc(N(CC(=O)O)CC(=O)NCCc2ccccc2F)cc1 34926463 NVNVJYITRRTJNS-UHFFFAOYSA-N 360.385 2.084 10 50 FECA COc1ccc(O)c(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 39363122 FAFZEXVXAFALSD-LJQANCHMSA-N 356.466 2.470 10 50 FECA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 12338857 CKRIVDIJIWXCAG-MDWZMJQESA-N 369.333 2.161 10 50 FECA COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1205703 UWLMAXHLHODNRZ-GHXNOFRVSA-N 353.421 2.078 10 50 FECA OC[C@]12CCOC[C@H]1CN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2 1772712526 UAHYSJOQCLSECB-DENIHFKCSA-N 356.510 2.475 10 50 FECA COc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 1776679 RXUPYOOICPCNPB-LFTLCWSBSA-N 369.489 2.084 10 50 FECA CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O 4309526 OCGUCNMHFOAHLF-GDNBJRDFSA-N 370.340 2.261 10 50 FECA COc1cccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 13645898 SGSJXGMNROGENM-LFTLCWSBSA-N 369.489 2.084 10 50 FECA O=C1NC(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N1 3208902 MLPFESHRLCSXMV-UHFFFAOYSA-N 361.151 2.459 10 50 FECA CCN1C(=O)/C(=C/c2c(NC)nc3c(C)cccn3c2=O)SC1=S 1164817 RMBGCASHOYVPKY-FLIBITNWSA-N 360.464 2.266 10 50 FECA Cc1cc(C(=O)N[C@@H](CO)Cc2ccncc2)c(C)n1-c1ccccn1 170610148 MDJORBICMVPAAF-QGZVFWFLSA-N 350.422 2.218 10 50 FECA COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(Br)ccc1OC 792890 GKVQORFXRPZOOG-XFFZJAGNSA-N 352.184 2.418 10 50 FECA Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 242856082 GCMLCJPLSBWEBQ-UHFFFAOYSA-N 360.435 2.235 10 50 FECA CN1C(=O)/C(=C2\SC(=S)NC2=O)c2cc(Br)ccc21 13425463 OTHVAOWPNZSTPT-HJWRWDBZSA-N 355.238 2.285 10 50 FECA Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc1 4815171 WLDGJAGCVLLUMW-WQLSENKSSA-N 357.347 2.328 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/NCc3ccccc3F)C2=O)c1 5607728 UOKYTSSZIYCJHC-PTNGSMBKSA-N 369.352 2.091 10 50 FECA CC1CCN(c2ccc(CNC(=O)c3c(C(=O)O)cnn3C)cc2)CC1 20615017 IYQWNOSHOBCSDP-UHFFFAOYSA-N 356.426 2.285 10 50 FECA CC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 19595322 SNOHFXDQKPFPAI-ZPBHHCQCSA-N 366.215 2.304 10 50 FECA O=C(c1cc(O)cs1)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(O)cs1 909974608 GDVJASAVCVWCRK-AOOOYVTPSA-N 364.448 2.350 10 50 FECA CN(CCO)c1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1 1772815927 CZZQFVGEACIHMO-UHFFFAOYSA-N 362.433 2.254 10 50 FECA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4044801 ADYFGVKDSDGQAR-QGZVFWFLSA-N 361.442 2.349 10 50 FECA C[C@@H]1CCCCN1c1ccc(CNC(=O)c2nn(C)cc2C(=O)O)cc1 20615020 BOYWSIVZRLGQJP-CYBMUJFWSA-N 356.426 2.427 10 50 FECA COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 16511285 KZRFBYUGFMQFSF-QBFSEMIESA-N 352.346 2.370 10 50 FECA O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4473823 BGHDCRMPPHKQKQ-AUWJEWJLSA-N 368.320 2.216 10 50 FECA COc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1O 155350133 NXHWCIZVYBLVRG-AWEZNQCLSA-N 358.394 2.305 10 50 FECA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OS(C)(=O)=O 16192875 BXOZTZPOVONDQT-WQLSENKSSA-N 373.477 2.255 10 50 FECA O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 378508674 RSTUGQRAZLHTNH-INIZCTEOSA-N 354.406 2.409 10 50 FECA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O 1065857 YBKMZHQHBYBMJF-MDWZMJQESA-N 350.330 2.390 10 50 FECA biogenic,in-vitro COC(=O)c1c(C)sc([C@H](O)C(=O)c2ccc3c(c2)OCO3)c1O 6667797 UOVZISGRYPDOGM-CQSZACIVSA-N 350.348 2.194 10 50 FECA Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(C(=O)O)c3)C2=O)cc1 20602015 HKWBSNIFOIASSE-GDNBJRDFSA-N 365.345 2.272 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 2267648 VHADPGFRAUJGCM-SDNWHVSQSA-N 352.346 2.370 10 50 FECA CSCC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C(=O)O 95352152 QAXSEYIHVAWMKA-MRXNPFEDSA-N 361.467 2.484 10 50 FECA COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccc(C)cc2)C1=O 16671938 XAJDIYBQHCHMJW-GDNBJRDFSA-N 353.334 2.373 10 50 FECA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 1174878 WZKSRVSOUBFNGD-KPKJPENVSA-N 358.737 2.418 10 50 FECA COc1ccc(N2CC3(CN(C(=O)c4ccc5c(c4)OCO5)C3)C2)cc1 2100537772 UYWATGNMASSCQQ-UHFFFAOYSA-N 352.390 2.386 10 50 FECA COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 242106322 WISIXYLAKNCQOF-SIMVJXQJSA-N 350.440 2.032 10 50 FECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3ccc(C)o3)C2=O)c1 1069944 FQOFXDNZBJTYSU-MDWZMJQESA-N 356.334 2.272 10 50 FECA O=C(O)[C@@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1C1CC1 91620037 PIBCOYLCCOCRBM-DLBZAZTESA-N 358.438 2.427 10 50 FECA Cc1ccsc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 12463206 RTIDYNYOKYDRPP-NJQKBMNKSA-N 359.519 2.445 10 50 FECA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 4545593 MYZNEZJSXUKWQD-LCYFTJDESA-N 355.306 2.417 10 50 FECA COc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113273 LSOIDFUBBNRKQE-UHFFFAOYSA-N 356.422 2.227 10 50 FECA Cn1ccnc1SCCNC1CCN(c2ccc3c(c2)OCO3)CC1 1506428823 QOEIRPLDMGXXIU-UHFFFAOYSA-N 360.483 2.500 10 50 FECA COc1ccc2ccc(OC)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2c1 1185919 NOMMHYUHLCPXAI-UHFFFAOYSA-N 370.430 2.456 10 50 FECA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(N)=O 1016029 XHBWOIRGGQWSGH-JYRVWZFOSA-N 366.464 2.171 10 50 FECA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCCO)cc1-n1c(C)ccc1C 1565512498 FXWYHPNUSPJSAU-ICSRJNTNSA-N 372.465 2.299 10 50 FECA Cc1ccccc1N1C(=O)/C(=C\Nc2cccc(O)c2)C(=O)NC1=S 5595891 IKDQNAYZAAWQOW-UVTDQMKNSA-N 353.403 2.444 10 50 FECA COc1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 52537666 KQTVZNUGNXDNEM-UHFFFAOYSA-N 355.438 2.465 10 50 FECA N[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 237870593 LTWJXKVPBBLCFR-OCCSQVGLSA-N 371.403 2.286 10 50 FECA Cc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13125079 CMEHPBNSDKSYTO-YFBAIUBQSA-N 353.490 2.383 10 50 FECA COc1ccc(N2CCN(C(=O)Cc3ccc4[nH]ncc4c3)CC2)cc1 279564094 FKWQIPGYKYHMAH-UHFFFAOYSA-N 350.422 2.463 10 50 FECA COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 239378398 OREQBSAEMUMLFL-RBJBARPLSA-N 361.419 2.485 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 6715576 HCVBAAXSRPQVDP-UHFFFAOYSA-N 368.405 2.484 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)cc1 1100385 IRMRGWFGVJNDRP-UHFFFAOYSA-N 362.451 2.215 10 50 FECA COc1ccc(N2CC3(C2)CN(c2ccc(-c4nccn4C)nn2)C3)cc1 2356162382 IUAVMYVRMHQTII-UHFFFAOYSA-N 362.437 2.212 10 50 FECA O=S(=O)(Cc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 13613076 AALVHCVPHUDJIH-UHFFFAOYSA-N 364.442 2.282 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3F)C2=O)c1 17086471 JDUFXSOBIQKYFB-RAXLEYEMSA-N 355.325 2.413 10 50 FECA COC(=O)c1c(C)sc([C@@H](O)C(=O)c2ccc3c(c2)OCO3)c1O 100220479 UOVZISGRYPDOGM-AWEZNQCLSA-N 350.348 2.194 10 50 FECA Cc1c(CCNC(=O)N2CCC[C@@H]2C(N)=O)c2cccc3c2n1CCC3 426563560 WTNNFIPEIYLYKH-QGZVFWFLSA-N 354.454 2.098 10 50 FECA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cn1 4754478 ZGLYEZJSQITLRK-GHXNOFRVSA-N 354.391 2.173 10 50 FECA Cc1ccsc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 1104420 RTIDYNYOKYDRPP-VKRGWIQLSA-N 359.519 2.445 10 50 FECA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1O 5716710 NWMOBNBXIWRSOK-LBPRGKRZSA-N 355.188 2.346 10 50 FECA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCn1ccnc1 100095544 DYHFVSHAAZMQOT-LGMDPLHJSA-N 368.397 2.468 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCCOc2ccccc2)cc1 2947732 XKBONYRKXFICSH-UHFFFAOYSA-N 368.414 2.059 10 50 FECA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 853853 WLWMCQUPJCQUJY-RDJZCZTQSA-N 359.426 2.103 10 50 FECA N[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 238025122 GNYYUXOOEDCPGP-IBGZPJMESA-N 357.429 2.103 10 50 FECA O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccccc3O)C2)nn1 12031141 ZLIJCHGUFSRMRU-KRWDZBQOSA-N 369.469 2.493 10 50 FECA Cc1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 1221331 MAHGWIVENXSMOF-UHFFFAOYSA-N 366.398 2.129 10 50 FECA O=C(NC[C@@H]1CCC2(CCN(Cc3ccccc3O)CC2)O1)[C@H]1CCCO1 11872858 ZRKARFSFEWFNDF-PKOBYXMFSA-N 374.481 2.201 10 50 FECA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)O 2824608 NUEKYIREMDLXIV-YFHOEESVSA-N 363.869 2.429 10 50 FECA COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)c1C 1143468 USWWGAVITKLWJP-OQLLNIDSSA-N 353.378 2.369 10 50 FECA COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 114543980 VAQAHSZLPNPAPZ-GOSISDBHSA-N 368.433 2.251 10 50 FECA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccc(N)cc3)C1)CC2 1704354675 IEFYSRGGSVSOIM-OAQYLSRUSA-N 365.481 2.174 10 50 FECA COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c(OC)c1 26771507 JNAIAPSKWQGYMF-OPYOOOJUSA-N 353.421 2.378 10 50 FECA COc1ccc(N2CCN(C[C@@H](O)COc3cccc(OC)c3)CC2)cc1 20109772 FOTDCYXSVOODOY-GOSISDBHSA-N 372.465 2.266 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2cccc(F)c2)c1 1147086 FGFLYYXXSIDJND-UHFFFAOYSA-N 356.378 2.319 10 50 FECA O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccccc3O)C2)nn1 12031139 ZLIJCHGUFSRMRU-QGZVFWFLSA-N 369.469 2.493 10 50 FECA COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(Br)c1O 944882 RANQPDSOGPNHHG-UHFFFAOYSA-N 357.156 2.383 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 16577136 IUJGQENAOQXVPM-UHFFFAOYSA-N 364.442 2.486 10 50 FECA C[C@@H]1CCCN(c2ccc(CNC(=O)c3c(C(=O)O)cnn3C)cc2)C1 20615010 SADLGASPUUHTBP-CYBMUJFWSA-N 356.426 2.285 10 50 FECA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1O 9359411 ICEFRACOOZHSPS-MDWZMJQESA-N 368.345 2.076 10 50 FECA COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 10113279 GFYFFQJLXKQPHX-UHFFFAOYSA-N 356.422 2.470 10 50 FECA COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13675843 WDPGCDJJXWIFCC-UHFFFAOYSA-N 362.451 2.010 10 50 FECA COc1ccccc1CC(=O)c1ccc(O)c(CN2CCOCC2)c1O 23135361 AFHDTLYNHPFIOL-UHFFFAOYSA-N 357.406 2.364 10 50 FECA COc1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 916278 RQAPLELUKIJYRV-UHFFFAOYSA-N 356.422 2.431 10 50 FECA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 100640333 NFCVKPXBKXLFJK-UVTDQMKNSA-N 352.306 2.174 10 50 FECA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O 5568654 RFHBXOGHTUUZGW-MLPAPPSSSA-N 358.737 2.418 10 50 FECA Cc1ccccc1N1C(=O)NC(=O)/C(=C/NCc2ccccc2F)C1=O 5648577 SSVVQMFLWHUJCB-KAMYIIQDSA-N 353.353 2.391 10 50 FECA C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 237731718 OKNYUYMITXAECS-JLTOFOAXSA-N 369.440 2.416 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(O)c3)C2=O)c1 5043773 KSDQGIUHKZNNLB-ZSOIEALJSA-N 368.345 2.076 10 50 FECA CCOC(=O)CN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C 4702240 VLQCDZIGMLQYMX-XNTDXEJSSA-N 358.423 2.446 10 50 FECA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 328631924 KYOOWBRMRJQVME-HKUYNNGSSA-N 374.460 2.499 10 50 FECA COc1cccc(-n2c(C)cc(C(=O)N3CCC(NC(N)=O)CC3)c2C)c1 170651913 HFAQOZDTONURRT-UHFFFAOYSA-N 370.453 2.376 10 50 FECA COc1ccc(N2CCN([C@H]3CCCN(Cc4ncc[nH]4)C3)CC2)cc1 19773541 KMVQOMIAEHWUSI-SFHVURJKSA-N 355.486 2.205 10 50 FECA CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(OC)c2)SC1=S 4844595 DUAWSFPBSIPYGT-KPKJPENVSA-N 353.421 2.380 10 50 FECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1 1197340 VUWPFPVAUSJVAV-MHWRWJLKSA-N 352.346 2.063 10 50 FECA O=C1CCc2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2N1 252483914 FKXYYIDZKUNOGT-UHFFFAOYSA-N 358.320 2.164 10 50 FECA CCN(CC)CCC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 19595339 CAPPNECGWSHKOZ-YIQZXQSLSA-N 372.469 2.253 10 50 FECA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 853850 WLWMCQUPJCQUJY-NVXWUHKLSA-N 359.426 2.103 10 50 FECA O=C(O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1871289 PNDTVNYIGWIIRZ-KPKJPENVSA-N 351.405 2.481 10 50 FECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn2c1CCCC2 128220976 IUFCSDYBYOOVAH-UHFFFAOYSA-N 372.444 2.250 10 50 FECA COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC 16671421 XQTRPYPJLZSUBH-JYRVWZFOSA-N 369.333 2.073 10 50 FECA O=C(NC1CC1)[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 194167760 CAINDDZHUBPYFM-GOSISDBHSA-N 356.470 2.239 10 50 FECA N[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 237961956 LTWJXKVPBBLCFR-GXTWGEPZSA-N 371.403 2.286 10 50 FECA CC(C)CC(=O)NN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1028575 IQXAIUZBBIBQFC-SEYXRHQNSA-N 361.448 2.287 10 50 FECA COc1cccc(O)c1CN1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 65404729 DUDQNJPCBHCKKH-JLTOFOAXSA-N 360.454 2.162 10 50 FECA COc1ccc(N2CCC[C@H](Nc3cc(N4CCOCC4)ncn3)C2)cc1 2325900241 QOQPSMFQHXEAKR-INIZCTEOSA-N 369.469 2.403 10 50 FECA COc1ccc(N2CCN(C[C@H](O)COc3cccc(OC)c3)CC2)cc1 20109773 FOTDCYXSVOODOY-SFHVURJKSA-N 372.465 2.266 10 50 FECA Cn1cc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21 13538923 MLKHXLFEYOOYEY-NVNXTCNLSA-N 353.403 2.318 10 50 FECA in-vitro O=C1/C(=C\c2cccc(F)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2825387 RCVRAZZKFIFUFA-WBOGTDJTSA-N 357.453 2.214 10 50 FECA O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1909867 NFCFWBGPXXNSSR-JRZFIGEHSA-N 371.823 2.469 10 50 FECA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 897929 UULCJRGIRBBPAN-HEUOVEHFSA-N 372.377 2.446 10 50 FECA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 853851 WLWMCQUPJCQUJY-WBVHZDCISA-N 359.426 2.103 10 50 FECA COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 242106321 WISIXYLAKNCQOF-MNRXQERYSA-N 350.440 2.032 10 50 FECA C[C@H]1CCCN(c2ccc(CNC(=O)c3c(C(=O)O)cnn3C)cc2)C1 20615014 SADLGASPUUHTBP-ZDUSSCGKSA-N 356.426 2.285 10 50 FECA COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H](C)C2)cc1 72426945 CPOMCYRXCLDKBO-CYBMUJFWSA-N 368.437 2.007 10 50 FECA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCS(=O)(=O)O 12375767 WNPZOZGDQWKCNS-JHLWKMQHSA-N 355.462 2.332 10 50 FECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1 15837485 BIBATJXGPBHLPB-JLJGJNDSSA-N 352.346 2.474 10 50 FECA O=C1/C(=C\c2ccccc2F)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 33394221 VWUUOPXKSWDZCH-CEXMDJMXSA-N 357.453 2.214 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 6715216 TZPVINIGJWXUAI-UHFFFAOYSA-N 368.405 2.484 10 50 FECA Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)nc1 1150677 AJTICDBNVSWVBF-UHFFFAOYSA-N 368.462 2.396 10 50 FECA Cc1c(CCNC(=O)N(C)Cc2nc(O)n[nH]2)c2cccc3c2n1CCC3 426471072 XIVVHHHOSRJLAQ-UHFFFAOYSA-N 368.441 2.104 10 50 FECA CCOc1ccc(N2CN=c3s/c(=C/c4cccs4)c(=O)n3C2)cc1 4707167 KIVQYWRZDBHLBX-MHWRWJLKSA-N 371.487 2.254 10 50 FECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)c1 4805579 NMXUZBJHFNVAKJ-DHDCSXOGSA-N 366.329 2.060 10 50 FECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)c1 5092146 ATGUXLPBNYPHHP-XFXZXTDPSA-N 358.375 2.432 10 50 FECA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S 5811173 MKMMEPPSXJNVIE-VUBLIPMDSA-N 354.478 2.489 10 50 FECA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13370563 ZAGIRWNHLSYIMT-HBZGRHIISA-N 357.453 2.214 10 50 FECA CCCCN1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)NC1=S 5869547 GMWCLMDSZBCGAU-QINSGFPZSA-N 370.478 2.227 10 50 FECA Nc1ccc(CC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1529161228 CXXLATYRJUCEDK-WOJBJXKFSA-N 351.450 2.096 10 50 FECA CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S 5811174 MKMMEPPSXJNVIE-UEUZTHOGSA-N 354.478 2.489 10 50 FECA COc1cccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1O 23129574 CHSDBYAQIWAFGN-IBGZPJMESA-N 356.466 2.470 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N(C)C1=S 5094266 TUSKTCATRCQJIX-UHFFFAOYSA-N 370.386 2.244 10 50 FECA COC(=O)C1=C(C)NC(=O)/C1=C\c1cc2c(cc1Br)OCO2 4699128 CGQKYYCPAIUEQG-OQFOIZHKSA-N 366.167 2.138 10 50 FECA COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(C)C)cc2)C1=O 1233278 ODEBNRJOZAXRLV-NTCAYCPXSA-N 365.389 2.428 10 50 FECA OC[C@]12COCC[C@H]1CN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2 1857669692 WPNUPZWPSPMIOT-SIKLNZKXSA-N 356.510 2.475 10 50 FECA O=C(NC[C@H]1CCC2(CCN(Cc3ccccc3O)CC2)O1)[C@H]1CCCO1 11872859 ZRKARFSFEWFNDF-IEBWSBKVSA-N 374.481 2.201 10 50 FECA CCN1C(=O)C[C@@H](CNCc2ccc3c(c2)CCO3)[C@@H]1c1nccn1C 886027751 OGNALMBAYHBDCN-QFBILLFUSA-N 354.454 2.054 10 50 FECA COc1cccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1O 22852428 CHSDBYAQIWAFGN-LJQANCHMSA-N 356.466 2.470 10 50 FECA COC(=O)CN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1212655 RDWUOKHXLKJEDM-GHXNOFRVSA-N 353.421 2.078 10 50 FECA CNS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100273401 ZFEANDFLEKWTMZ-SFQUDFHCSA-N 370.434 2.313 10 50 FECA Cc1ccc(-n2nc(C)c(C=C3C(=O)NC(=S)NC3=O)c2C)c(C)c1 1010966 ZXWDJVHUVLDNGD-UHFFFAOYSA-N 354.435 2.020 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 16579594 SDLYOAQMCPTYCE-UHFFFAOYSA-N 364.442 2.486 10 50 FECA CCOc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1 1156555 RPCCIFNWBDJZNG-RVDMUPIBSA-N 355.419 2.255 10 50 FECA CN(C)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 2837268 QVRKUYXXUWDPHX-VBKFSLOCSA-N 350.378 2.331 10 50 FECA COC(=O)CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 4482662 CNGOIPKGVXLCSY-DHZHZOJOSA-N 352.393 2.359 10 50 FECA CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 1126615 JLGOKLZATGWIJM-MHWRWJLKSA-N 353.378 2.281 10 50 FECA CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)SC1=S 1161772 LBBVSHNQKBMSBG-JYRVWZFOSA-N 367.448 2.468 10 50 FECA COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O 15723107 CEKRVLMKUYHSKU-UVTDQMKNSA-N 352.346 2.376 10 50 FECA COc1ccc(N2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)cc1 55069615 QAPPWKSXYYYWJE-UHFFFAOYSA-N 371.456 2.315 10 50 FECA C[C@H]1CCCN(c2ccc(CNC(=O)c3nn(C)cc3C(=O)O)cc2)C1 20614947 UQFIFSVPJFEXGK-ZDUSSCGKSA-N 356.426 2.285 10 50 FECA Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C 5681261 XVBOJXPHPNAYAJ-UHFFFAOYSA-N 355.397 2.173 10 50 FECA COc1ccc(N2CCN([C@H]3CCCN(CC(C)(C)CO)C3)CC2)cc1 20541258 CMELNRRWBCRIOC-IBGZPJMESA-N 361.530 2.300 10 50 FECA CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccc4c(c3)CCN4C)C2)n1 328630594 JOVYRNOBTRILDH-QGZVFWFLSA-N 353.470 2.072 10 50 FECA COc1ccccc1/C=C1\SC(=S)N(CN2CCN(C)CC2)C1=O 334160701 KMHWWHVJVSRVBX-PTNGSMBKSA-N 363.508 2.101 10 50 FECA COc1ccc(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2(C)C)cc1 77376646 ZSPRDXSVMQAPTM-UHFFFAOYSA-N 355.438 2.433 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 1233280 VTZDHHGRRKGOHN-LFIBNONCSA-N 352.346 2.370 10 50 FECA CN(C)c1ccc(/C=C/CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 12132459 QLDRRUFIMOGVEJ-SGSXCFNPSA-N 356.470 2.076 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(C)C1=S 1180169 DIQZHMQZJYCEJW-UHFFFAOYSA-N 371.374 2.454 10 50 FECA COc1cccc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)c1 23359096 WDASYFOFKPXAHM-IBGZPJMESA-N 356.466 2.470 10 50 FECA CC[C@@]12COC(=O)N1CCN(C1CCN(c3ccc4c(c3)OCO4)CC1)C2 1857674384 FXQXFXPUPUHIDK-HXUWFJFHSA-N 373.453 2.301 10 50 FECA CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 1151118 JTFCNSCUTRTZGU-NSHDSACASA-N 362.451 2.471 10 50 FECA Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCc1ccccc1 226975888 QELIGPSFLCOCEO-KFWWJZLASA-N 356.386 2.123 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 726264 ARYGXQSEHZQHMK-UHFFFAOYSA-N 374.425 2.454 10 50 FECA Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCc1ccccc1 226975900 QELIGPSFLCOCEO-ZNMIVQPWSA-N 356.386 2.123 10 50 FECA O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N1 2891610 VDTXSLOZGBITLS-UHFFFAOYSA-N 360.709 2.048 10 50 FECA CC(=O)c1cc(C)n(-c2ccc(C(=O)NC[C@H]3COCCO3)cc2)c1C 217014616 WCGGLPQHRDPHBG-SFHVURJKSA-N 356.422 2.442 10 50 FECA COc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)cc1 136299862 ZLMRXHAVINLZGK-LBTBCDHLSA-N 358.438 2.091 10 50 FECA CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 1160930 WHBRTUMKKMXVOS-UHFFFAOYSA-N 369.446 2.407 10 50 FECA COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1 1857666443 SACIIOIPFJSPMI-UHFFFAOYSA-N 365.389 2.428 10 50 FECA O=C(O)/C=C/c1ccc(O)c2c1[C@@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2 13383394 GJHXGOBGPWPCCK-DBLORFJXSA-N 358.302 2.203 10 50 FECA biogenic,in-vitro COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 239378399 OREQBSAEMUMLFL-WTTBSCSTSA-N 361.419 2.485 10 50 FECA O=C(NC[C@@H]1CCC2(CCN(Cc3ccccc3O)CC2)O1)[C@@H]1CCCO1 11872856 ZRKARFSFEWFNDF-HKUYNNGSSA-N 374.481 2.201 10 50 FECA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 13130264 LJSWEIZYRIMCAN-LDADJPATSA-N 366.421 2.111 10 50 FECA CC[C@H](C)N1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)C(=O)NC1=S 1137033 JVOMQECGXWSYCH-DGGAMASNSA-N 354.435 2.298 10 50 FECA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 328626666 FILZURWAQNQSKO-HKUYNNGSSA-N 374.460 2.406 10 50 FECA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1Cl 2082927028 WXRBJIMGZAPWLO-NSHDSACASA-N 353.831 2.041 10 50 FECA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCc1ccccc1 2998901 VBBYOUHTYFWJTR-UHFFFAOYSA-N 366.373 2.066 10 50 FECA COc1cc(NS(=O)(=O)c2cccc3nonc23)cc(OC)c1OC 17075040 AHKZZQRCXOWGBH-UHFFFAOYSA-N 365.367 2.049 10 50 FECA O=C(c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1)N1CCCC1 17076203 RVXGLDQIVJHEHE-UHFFFAOYSA-N 372.406 2.260 10 50 FECA CNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)CN1Cc1ccccc1 23363040 GHWOQAMJMLQBHG-PMACEKPBSA-N 367.493 2.482 10 50 FECA COc1ccc(N2CCN(C(=O)[C@@H](O)CCSC)CC2(C)C)cc1 77420034 FHQLPEZDWOFVFJ-INIZCTEOSA-N 352.500 2.236 10 50 FECA C/C(NCCO)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18069436 SKBACEYMBXBSQR-FLIBITNWSA-N 370.356 2.417 10 50 FECA O=C1COc2ccc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc2N1 4569213 XHQPRHQADDIPPT-UHFFFAOYSA-N 373.434 2.419 10 50 FECA Cc1ccsc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 12463207 RTIDYNYOKYDRPP-ISAHRAOESA-N 359.519 2.445 10 50 FECA COc1cccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 2376285 SGSJXGMNROGENM-ZWSXMNCCSA-N 369.489 2.084 10 50 FECA COc1ccc(N2CCN([C@H]3CCCN(Cc4nccn4C)C3)CC2)cc1 20536488 DUKIOCBNLWNRPA-IBGZPJMESA-N 369.513 2.215 10 50 FECA C=CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 859675465 IKHOZCBVPJQLQO-ZDUSSCGKSA-N 367.396 2.017 10 50 FECA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(O)c(O)c(Br)c1 1136473 RYMRYWIWOHJDGU-NSHDSACASA-N 371.187 2.003 10 50 FECA CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1 655853 VMDWTOJAMABKFX-UHFFFAOYSA-N 361.467 2.140 10 50 FECA Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 13371816 QLJHZCSLUGPSDP-GZTJUZNOSA-N 366.421 2.252 10 50 FECA COc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 100799395 ZLMRXHAVINLZGK-ZZCKCESHSA-N 358.438 2.091 10 50 FECA CCN(CC)CCC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 19595338 CAPPNECGWSHKOZ-ARSNJYAISA-N 372.469 2.253 10 50 FECA COC(=O)CCN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1091718 NXLCQCWLGLIXHW-LCYFTJDESA-N 367.448 2.468 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1O 1192552 GNIGVXFSKSXAAO-UKTHLTGXSA-N 352.346 2.376 10 50 FECA COC(=O)c1cc(C)cc([C@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356139712 IJSJLWYVFMQCRN-OAHLLOKOSA-N 355.346 2.269 10 50 FECA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 17086492 JBNPEHPVQARGTN-FLIBITNWSA-N 369.308 2.133 10 50 FECA N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(c3ccco3)=NN12 3004108 JJJBIMNCESNVHQ-NFCJRZFVSA-N 357.307 2.448 10 50 FECA CCOC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1OC 1054608 QHPJWPQRZMBKTG-KPKJPENVSA-N 353.421 2.126 10 50 FECA Cc1ccc(COc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1 4695844 ZSYKWIKUUSYJEA-UHFFFAOYSA-N 352.415 2.488 10 50 FECA C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccn4nnnc4c3)cc2)C1 97743276 DHYQGJCZADLHFV-CQSZACIVSA-N 350.426 2.291 10 50 FECA COc1ccc(N2CC3(CN(C(=O)[C@@H]4CC(=O)OC45CCCC5)C3)C2)cc1 2100543628 WEFSVYPSRAHTOD-KRWDZBQOSA-N 370.449 2.220 10 50 FECA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] 100638474 LHJJUWAYXVQGLR-BENRWUELSA-N 352.306 2.174 10 50 FECA Cc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 13125080 CMEHPBNSDKSYTO-OEMOTLHWSA-N 353.490 2.383 10 50 FECA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc[nH]4)C3)CC2)cc1 72135520 VGHBETNUZNHFQQ-GOSISDBHSA-N 368.481 2.450 10 50 FECA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O 13635243 LBNAOZUAVXVSMP-ZROIWOOFSA-N 352.346 2.376 10 50 FECA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 1063060 KNURJKOVLFZOFN-UHFFFAOYSA-N 356.378 2.319 10 50 FECA CCCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=S)NC1=O 2464245 KDCIPVHFTBMTFX-UHFFFAOYSA-N 361.467 2.236 10 50 FECA COc1ccc(N2CCN(C(=O)CN(C)Cc3cccnc3)[C@@H](C)C2)cc1 72431583 RRZIFNWMBLOOFN-KRWDZBQOSA-N 368.481 2.259 10 50 FECA O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2286117 ZAGIRWNHLSYIMT-WBOGTDJTSA-N 357.453 2.214 10 50 FECA Cc1cc(C)c(O)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)N(C)Cc2cnccn2)c1 102812991 UQUOQDHZYYDLNG-BWTSREIZSA-N 366.465 2.135 10 50 FECA C=CC(=O)N(C)CC(=O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1 1875370484 QNISVNLETMSMMV-UHFFFAOYSA-N 363.820 2.500 10 50 FECA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc3c(c2)CCO3)CC(=O)N1C 328621890 IAVBWAXJNNWWMT-OXQOHEQNSA-N 354.454 2.033 10 50 FECA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 3902559 BTVWTRDTYYVLSE-QGZVFWFLSA-N 361.442 2.350 10 50 FECA CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C[C@@H]3CCCO3)C2=O)cc1 13124873 JMMZNRHHHLCSTO-BQGMYUGNSA-N 371.437 2.174 10 50 FECA CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)CC1 19720176 JXIANOOQEPDHNU-VBKFSLOCSA-N 361.467 2.312 10 50 FECA COc1ccc(N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)cc1 136299806 ZLMRXHAVINLZGK-DFEHZGFQSA-N 358.438 2.091 10 50 FECA CN(C)c1ccc2c(c1)OCCN2Cc1cnc(N2CCOCC2)s1 154921182 SLFPJAKRVIFLRN-UHFFFAOYSA-N 360.483 2.445 10 50 FECA Cc1cc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 215547298 SIJIIKQTYKQIHP-KRWDZBQOSA-N 368.481 2.021 10 50 FECA Cc1cc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 215547342 SIJIIKQTYKQIHP-QGZVFWFLSA-N 368.481 2.021 10 50 FECA O=C(c1cn([C@H]2CCCN(Cc3ccccc3O)C2)nn1)N1CCCCC1 12028171 CJXCJSCDWZKSIT-KRWDZBQOSA-N 369.469 2.447 10 50 FECA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 4729201 KMQRGCIZIBYBOR-ZROIWOOFSA-N 368.345 2.163 10 50 FECA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13370566 ZAGIRWNHLSYIMT-ZWIPKHHJSA-N 357.453 2.214 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC 845512 FZPHYIHRPQRENA-GDNBJRDFSA-N 366.373 2.366 10 50 FECA COc1ccc(N2CCN(C(=O)CCc3n[nH]c(C)n3)CC2(C)C)cc1 82127196 GTGDDFRGXCTUIR-UHFFFAOYSA-N 357.458 2.182 10 50 FECA COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1O 1192839 PDEGQMNSDGDECU-NTEUORMPSA-N 352.346 2.376 10 50 FECA CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=O)NC3=O)c2c1 5112902 XRBVTFWFSLKUMH-UHFFFAOYSA-N 354.362 2.387 10 50 FECA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 4148268 MDQAPJCJGATGCG-UHFFFAOYSA-N 352.324 2.133 10 50 FECA COc1ccc(O)c(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 19841008 FAFZEXVXAFALSD-IBGZPJMESA-N 356.466 2.470 10 50 FECA COc1ccccc1OCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 49740661 WWULZZKZOMPBMP-UHFFFAOYSA-N 369.465 2.142 10 50 FECA COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cc(O)cs1 732352773 GMZJFMQZGPAUTR-UHFFFAOYSA-N 371.392 2.028 10 50 FECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OC)cc3)C2=O)cc1 5010005 VQEWEPUUTNIFAT-ATVHPVEESA-N 366.373 2.333 10 50 FECA CN1CCN(c2ccc(CNC(=O)COc3ccccc3F)cc2)CC1 65363311 KMBYBSGOODZDOM-UHFFFAOYSA-N 357.429 2.273 10 50 FECA COc1ccc(N2CCN(C[C@H](O)COCc3ccccc3)CC2)cc1 4819454 VENMRPDCDJMAPA-FQEVSTJZSA-N 356.466 2.395 10 50 FECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCOCC1 366918146 UJCKDYCDGRTYAT-HNNXBMFYSA-N 350.434 2.220 10 50 FECA O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC2(CC1)OCCO2 2889998 LEAJWJYIWUJUDC-UHFFFAOYSA-N 368.238 2.227 10 50 FECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1 1197347 VTBKCZVHGPHBEE-LFIBNONCSA-N 366.373 2.366 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 1228970 BUBHMAYPIGEYLF-RIYZIHGNSA-N 366.329 2.090 10 50 FECA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2S(C)(=O)=O)cc1 4757687 HGLHTVNRTOVBTR-UHFFFAOYSA-N 371.466 2.431 10 50 FECA CN(C)c1ccc(/C=C/CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 12132451 QLDRRUFIMOGVEJ-DPZZJQGRSA-N 356.470 2.076 10 50 FECA COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1O 1203479 KUIWEMNAWDTKLV-RUDMXATFSA-N 359.812 2.340 10 50 FECA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1O 1178192 SKTAGVOLVHXDAP-NTEUORMPSA-N 368.345 2.163 10 50 FECA COc1ccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ncn3)C2)cc1 2325900242 QOQPSMFQHXEAKR-MRXNPFEDSA-N 369.469 2.403 10 50 FECA Cc1c(CCNC(=O)[C@@H](C)Cn2cncn2)c2cccc3c2n1CCC3 670448732 NVYZNEZNBWMWEU-AWEZNQCLSA-N 351.454 2.482 10 50 FECA Cn1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cn1 2807803 GVZBHRZSOCGTMA-JGWKKKPCSA-N 373.459 2.317 10 50 FECA C=CC(=O)N1CCC(C(=O)NCc2c(O)cccc2Br)CC1 1875370228 GWUYTIVFOUUFMR-UHFFFAOYSA-N 367.243 2.196 10 50 FECA N[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 237830798 GNYYUXOOEDCPGP-LJQANCHMSA-N 357.429 2.103 10 50 FECA COc1ccc(N2CCN([C@@H]3CCCN(Cc4nccn4C)C3)CC2)cc1 20536486 DUKIOCBNLWNRPA-LJQANCHMSA-N 369.513 2.215 10 50 FECA O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1nc2ccccn2n1 328595181 NDSIGKJYWIEHOQ-UHFFFAOYSA-N 357.757 2.057 10 50 FECA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 328641700 QSXSYTDDHIHWTO-WMZOPIPTSA-N 360.433 2.016 10 50 FECA O=C1NC(=O)N(Cc2ccoc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 22242022 XXSFJARZYGRMJU-LZYBPNLTSA-N 362.345 2.127 10 50 FECA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2892927 JVYGHUCEQLSSAH-RAXLEYEMSA-N 355.325 2.413 10 50 FECA NC(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)OCO3)CC1 952970258 CMBSNLVIJXYEMP-SFHVURJKSA-N 367.449 2.070 10 50 FECA CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 4459670 FAVZLUULMBCIMW-PTNGSMBKSA-N 352.350 2.122 10 50 FECA COCCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)SC1=S 2829068 QKYAXJXRUVEBOJ-MLPAPPSSSA-N 353.421 2.272 10 50 FECA COc1ccc(N2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)cc1 96247516 FROCJPCVVLSGOK-SFHVURJKSA-N 360.429 2.396 10 50 FECA O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 194167776 CAINDDZHUBPYFM-SFHVURJKSA-N 356.470 2.239 10 50 FECA CN(C)c1ccc(CNn2cnnc2SCC(=O)NC(C)(C)C)cc1 679426 VJGJXJFJMCTLFS-UHFFFAOYSA-N 362.503 2.095 10 50 FECA CCOC(=O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC 12413404 QHPJWPQRZMBKTG-GHXNOFRVSA-N 353.421 2.126 10 50 FECA Cc1ccccc1CS(=O)(=O)NCc1ccc(N2CCOCC2)cc1 13673545 IIDVKWDBTVYPCR-UHFFFAOYSA-N 360.479 2.451 10 50 FECA N[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 237942221 LTWJXKVPBBLCFR-TZMCWYRMSA-N 371.403 2.286 10 50 FECA COCCn1cnnc1CN(C)C1CCN(c2ccc(OC)cc2)CC1 1506397901 GHBKFTBNTIYOSK-UHFFFAOYSA-N 359.474 2.034 10 50 FECA COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)cc1 16652106 WYUIKUKJEXSDOL-UHFFFAOYSA-N 367.449 2.082 10 50 FECA CC(=O)c1cc(C)n(-c2ccc(C(=O)NC[C@@H]3COCCO3)cc2)c1C 217014573 WCGGLPQHRDPHBG-GOSISDBHSA-N 356.422 2.442 10 50 FECA COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cc1 21806891 UWDURWLZOVNHGF-UHFFFAOYSA-N 368.359 2.410 10 50 FECA COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1O 1152826 LOXAITKVQMCGRE-YHYXMXQVSA-N 371.212 2.270 10 50 FECA CN1CCN(c2ccc(CNC(=O)COc3ccc(F)cc3)cc2)CC1 65365399 HHFTVIVYVOYUEP-UHFFFAOYSA-N 357.429 2.273 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 16663552 YAAZFGGVQMALGU-YBEGLDIGSA-N 352.346 2.370 10 50 FECA CC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 19595323 SNOHFXDQKPFPAI-RILYUOAZSA-N 366.215 2.304 10 50 FECA COCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 3464151 SMWMJPAKDYCBNS-PTNGSMBKSA-N 360.366 2.304 10 50 FECA COc1ccc(N2CC3(CN(CCS(=O)(=O)c4ccccc4)C3)C2)cc1 2100477976 PPUUQYSHUFNBME-UHFFFAOYSA-N 372.490 2.291 10 50 FECA CCOC(=O)c1cnn2c(O)cc(CN3CC=C(C(F)(F)F)CC3)nc12 270228145 GIFBWMHMVFYSMD-UHFFFAOYSA-N 370.331 2.306 10 50 FECA Cc1cc(C(=O)N2CC[C@H](CN)C2)c(C)n1-c1ccc2c(c1)OCCO2 299738721 FMZIZKDWCUQIQO-OAHLLOKOSA-N 355.438 2.286 10 50 FECA CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O 2294941 APGMUYMTJLFYMN-XNTDXEJSSA-N 366.373 2.453 10 50 FECA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cn1 12731433 KGPYBXICJRCAHH-QPEQYQDCSA-N 354.391 2.173 10 50 FECA COc1ccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 3538966 RRYNGJMCXMUNBI-UHFFFAOYSA-N 356.451 2.087 10 50 FECA O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(O)c1O 170600718 GMUFPBYJYPCUHI-OAHLLOKOSA-N 354.406 2.061 10 50 FECA COc1cccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 12371514 PQZLDOKYNJTELC-YBEGLDIGSA-N 354.337 2.496 10 50 FECA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 183467018 YGNZFDHMQSINHW-UKRRQHHQSA-N 372.421 2.433 10 50 FECA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 100501790 DYGBXEKHZSPMTQ-BOPFTXTBSA-N 370.434 2.361 10 50 FECA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc([N+](=O)[O-])ccc2O)N1 36034006 NSDWXCZFGBHFQY-PBHICJAKSA-N 353.334 2.470 10 50 FECA biogenic O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 8381728 LDFKLVVCCNDHNA-LGMDPLHJSA-N 374.400 2.467 10 50 FECA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCCn1ccnc1 100149218 GZVGQOJCEGKQIT-WJDWOHSUSA-N 354.370 2.078 10 50 FECA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O 1225788 GDODOUUVRHTPRE-UKTHLTGXSA-N 352.346 2.376 10 50 FECA CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C(O)=NC1=S 1248899 HYTHQDYUTOLEMM-CSKARUKUSA-N 350.396 2.199 10 50 FECA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc([N+](=O)[O-])ccc2O)N1 36034004 NSDWXCZFGBHFQY-YOEHRIQHSA-N 353.334 2.470 10 50 FECA biogenic Cc1[nH]cnc1CSCCNC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91493728 DOVHPANKYBPGQA-UHFFFAOYSA-N 357.439 2.477 10 50 FECA COc1ccc(N2CCN(C(=O)c3cnn(C)c3-n3cccc3)CC2)cc1 43075394 VOZYYVUFYOXZMQ-UHFFFAOYSA-N 365.437 2.182 10 50 FECA COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H](CC(=O)O)C3)c2C)cc1 268933825 BFEHXJPAXFZCFN-KRWDZBQOSA-N 372.421 2.418 10 50 FECA COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OC(C)=O 16671955 NUVFDDBWLLRSNR-YBEGLDIGSA-N 366.373 2.390 10 50 FECA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 4568555 DCBWSCLMCVJGBP-GHXNOFRVSA-N 358.737 2.418 10 50 FECA COc1cc([N+](=O)[O-])cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1O 5033039 RZTWLPIREHVXKQ-OLZOCXBDSA-N 371.393 2.090 10 50 FECA COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)c1 1857666669 ATGUXLPBNYPHHP-UHFFFAOYSA-N 358.375 2.432 10 50 FECA COc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(OC)c1 1155946 NEAMPKKAOZFQIX-KPKJPENVSA-N 353.421 2.380 10 50 FECA COc1cccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 1480019 SGSJXGMNROGENM-KAQJVSAMSA-N 369.489 2.084 10 50 FECA COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 1857666446 YAAZFGGVQMALGU-UHFFFAOYSA-N 352.346 2.370 10 50 FECA COc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1OC 967026 WBJNKIGKWHXRGD-DHZHZOJOSA-N 353.421 2.380 10 50 FECA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cn1 16213969 QIDIZGKVFOELGW-AUWJEWJLSA-N 368.418 2.482 10 50 FECA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)Nc1ccc(O)c(O)c1 2325781454 QIQOWTSLMLZRJN-OYYNGEPBSA-N 357.410 2.247 10 50 FECA O=C(c1cn([C@@H]2CCCN(Cc3ccccc3O)C2)nn1)N1CCCCC1 12028168 CJXCJSCDWZKSIT-QGZVFWFLSA-N 369.469 2.447 10 50 FECA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S 1133892 HGUQTMJZCSVXKC-MHWRWJLKSA-N 369.446 2.446 10 50 FECA O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 13612499 UPXGGHXDURMXNG-UHFFFAOYSA-N 364.442 2.282 10 50 FECA O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 95698927 MSYMKEYWUWVZQY-RMKNXTFCSA-N 351.677 2.442 10 50 FECA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(O)cc1 1178385 IHJCCQUURDMNJP-UHFFFAOYSA-N 353.378 2.234 10 50 FECA COc1ccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 1100383 ZSRCDNUZGYNONG-UHFFFAOYSA-N 350.415 2.345 10 50 FECA CN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N(C)C1=O 4474164 GQKJMTXUVQLZND-UHFFFAOYSA-N 354.318 2.079 10 50 FECA C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 237731383 OKNYUYMITXAECS-VLIAUNLRSA-N 369.440 2.416 10 50 FECA CO[C@H]1C[C@@H](CNCc2ccc3c(c2)CCO3)N(c2cc(C)ncn2)C1 952890229 VRTDDZJVTWMZAS-ROUUACIJSA-N 354.454 2.103 10 50 FECA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3O)C2=O)cc1 755198 HYEXRLOGSDUECS-KAMYIIQDSA-N 351.362 2.125 10 50 FECA COc1ccc(N2CCN(CC(=O)Nc3cccc(OC)c3)CC2)cc1 55060295 ZURBATDZFLXNMK-UHFFFAOYSA-N 355.438 2.465 10 50 FECA COC[C@@H]1[C@@H](NC2CCN(c3ccc4c(c3)OCO4)CC2)[C@@H]2CCO[C@@H]21 223045110 LRLJWKZOBBPJLB-JSJNYSNDSA-N 360.454 2.024 10 50 FECA C[C@@H]1CCCN(c2ccc(CNC(=O)c3nn(C)cc3C(=O)O)cc2)C1 20614945 UQFIFSVPJFEXGK-CYBMUJFWSA-N 356.426 2.285 10 50 FECA COc1ccc(N2CCN(c3nc4c(cc3C(N)=O)CCC4)[C@H](C)C2)cc1 95358688 RNSBSTXZBZCCSX-CQSZACIVSA-N 366.465 2.393 10 50 FECA COc1ccc(N2CC3(C2)CN(c2nc4ccccc4n2CCO)C3)cc1 2356168237 VPOZDFSRUGKQKF-UHFFFAOYSA-N 364.449 2.364 10 50 FECA CCNC(=O)C[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C 72432767 NUFQUHSOTBTRGF-SFHVURJKSA-N 369.465 2.461 10 50 FECA COc1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1O 1225844 MWEPPZIHWHJHRZ-UVTDQMKNSA-N 352.346 2.409 10 50 FECA Cc1c(CCNS(=O)(=O)c2cnn(C)c2)c2cccc3c2n1CCC3 670440520 UFYZGMXBRYFJRH-UHFFFAOYSA-N 358.467 2.150 10 50 FECA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1O 4148432 WDRZVWVOFBUCPB-QGZVFWFLSA-N 373.434 2.461 10 50 FECA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C(=O)O 13389043 GJDNIYXFOYVXQK-UVTDQMKNSA-N 366.329 2.060 10 50 FECA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc([N+](=O)[O-])s2)C1=O 4859460 XIRKSALHAUKBGO-NTMALXAHSA-N 373.346 2.331 10 50 FECA CCOC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)nc1C 9418519 HGMWVKDMASLSEK-UHFFFAOYSA-N 356.426 2.297 10 50 FECA COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc1 4807810 GHTUWPVHLQSNNA-WQLSENKSSA-N 373.346 2.028 10 50 FECA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 96247517 FROCJPCVVLSGOK-GOSISDBHSA-N 360.429 2.396 10 50 FECA CN(C)c1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1 1857716489 AJVRYBJEDNIZIQ-QYZOEREBSA-N 356.470 2.013 10 50 FECA COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 1800346 RLCRWICJGCGKTD-XNYAHFKXSA-N 351.405 2.148 10 50 FECA CN(C)C(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1 2325810465 MFCCNAAUVSHOAD-UHFFFAOYSA-N 367.449 2.052 10 50 FECA COC(=O)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 15723071 NHWQOIFNVFDBCA-WJDWOHSUSA-N 364.357 2.448 10 50 FECA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 4808894 YBQQMWZDOUOHCD-GDNBJRDFSA-N 350.330 2.360 10 50 FECA COc1ccccc1-n1nnnc1SCC(=O)c1ccc(O)c(O)c1 792367463 FCFIGAQHKMNUEB-UHFFFAOYSA-N 358.379 2.057 10 50 FECA COc1cc(OC)cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 49740632 KTWJLPDNOXJWIK-UHFFFAOYSA-N 369.465 2.386 10 50 FECA Cc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 5045643 OGIVLUHTVXQHKK-UHFFFAOYSA-N 366.373 2.202 10 50 FECA COc1cccc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)c1 104470529 WDASYFOFKPXAHM-LJQANCHMSA-N 356.466 2.470 10 50 FECA COc1ccc(N(CC(=O)O)CC(=O)NCCc2ccc(F)cc2)cc1 34926456 SVATZDUKUSZOQP-UHFFFAOYSA-N 360.385 2.084 10 50 FECA CCN(CC)C(=O)c1cn(C2CCN(Cc3ccccc3O)CC2)nn1 15068476 WFBPDRRYVXGJJI-UHFFFAOYSA-N 357.458 2.303 10 50 FECA Nc1ccc(CC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 170677417 WVISJUIBVQKWSX-UHFFFAOYSA-N 355.413 2.371 10 50 FECA NC(=O)C1CCN(C2=NC(=O)/C(=C\C3=Cc4ccccc4OC3)S2)CC1 2668597 KMXSKDDTQLSIGS-MHWRWJLKSA-N 369.446 2.173 10 50 FECA Cc1cc(C(=O)N[C@H](CO)Cc2ccncc2)c(C)n1-c1ccccn1 170610147 MDJORBICMVPAAF-KRWDZBQOSA-N 350.422 2.218 10 50 FECA COc1cccc(O)c1CN1C[C@H]2CN(C3CCCC3)C[C@@]2(C(=O)O)C1 247871520 DUDQNJPCBHCKKH-XOBRGWDASA-N 360.454 2.162 10 50 FECA Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1 22023108 NLBFRJQFQSPYPV-GDNBJRDFSA-N 366.377 2.431 10 50 FECA Cc1c(CCNC(=O)[C@H](C)Cn2cncn2)c2cccc3c2n1CCC3 670448733 NVYZNEZNBWMWEU-CQSZACIVSA-N 351.454 2.482 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1O 1192796 JMJHMZKGBQBQMZ-NTEUORMPSA-N 352.346 2.376 10 50 FECA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1O 5716694 NWMOBNBXIWRSOK-GFCCVEGCSA-N 355.188 2.346 10 50 FECA Cc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 1909884 SBQDEPSIAOXZNK-VUUNSECVSA-N 351.405 2.124 10 50 FECA COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)CC2)cc1 6386149 HAWNZINVYJBXJB-LEWJYISDSA-N 372.465 2.466 10 50 FECA NCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 237975242 QCWXUNQFKJITIX-UHFFFAOYSA-N 357.429 2.176 10 50 FECA CC(C)Oc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O 1214410 PHBZCMWEYZQEQY-UHFFFAOYSA-N 369.240 2.151 10 50 FECA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 2837453 BKIGIXBTMIPWLZ-QXMHVHEDSA-N 367.361 2.283 10 50 FECA CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C[C@H]3CCCO3)C2=O)cc1 13124874 JMMZNRHHHLCSTO-WISAJEAXSA-N 371.437 2.174 10 50 FECA COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@H](CC(=O)O)C3)c2C)cc1 268933829 BFEHXJPAXFZCFN-QGZVFWFLSA-N 372.421 2.418 10 50 FECA COc1cccc(/C=C2\SC(=S)N(N3C(=O)CCCC3=O)C2=O)c1 3104917 PTVPHSLWPQALCP-XFXZXTDPSA-N 362.432 2.351 10 50 FECA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 183467001 YGNZFDHMQSINHW-DZGCQCFKSA-N 372.421 2.433 10 50 FECA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 1162953 ZALRTAMZVMDKLS-CCAPLTMGSA-N 372.377 2.446 10 50 FECA COc1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 916492 NNZBVWVIKGFXTQ-IBGZPJMESA-N 354.406 2.184 10 50 FECA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 12428717 PYWCVJDVVNCLEF-SDQBBNPISA-N 359.725 2.415 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1 4991298 BRWITMPBHYAPHO-RVDMUPIBSA-N 352.346 2.370 10 50 FECA C[S@](=O)c1cc(N)ccc1/N=N/c1cccc(S(=O)(=O)CCO)c1 1481522481 KCDBCNBUMQMSCN-SQAMQDMYSA-N 367.452 2.188 10 50 FECA Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)NC(=S)N=C1O 2811593 ZOBBGMSPPWMFSG-UHFFFAOYSA-N 371.378 2.152 10 50 FECA O=C(O)CN1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)SC1=S 2233944 QHOOWJJSBZNLET-MDWZMJQESA-N 360.416 2.469 10 50 FECA CN1CCNC(=O)C12CCN(Cc1cc(Cl)cc(Cl)c1O)CC2 67513750 QDPCJHULRXCKKB-UHFFFAOYSA-N 358.269 2.095 10 50 FECA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)O 15011491 QUVPFPIKQQRYPJ-KPKJPENVSA-N 353.421 2.380 10 50 FECA COc1cc(OC)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 13632576 DIUQBGNVPNRCQI-UHFFFAOYSA-N 356.422 2.470 10 50 FECA CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 1082107 MZBWHKZADWPWEA-ZDUSSCGKSA-N 357.332 2.486 10 50 FECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 1193093 YAAZFGGVQMALGU-MHWRWJLKSA-N 352.346 2.370 10 50 FECA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)cc1 17027999 AEAAUXIBQWKFQR-GDNBJRDFSA-N 355.325 2.413 10 50 FECA CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(O)c3)C2=O)cc1 5565287 GNUFDIOCCWSHFC-WJDWOHSUSA-N 367.361 2.370 10 50 FECA CC(=O)N(C)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 6706639 OQPIOGMXIYNWIF-UHFFFAOYSA-N 362.436 2.475 10 50 FECA CC(=O)c1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3n[nH]c(=O)[nH]3)cc2)c1C 217189698 SZRNWZKATALQRR-LLVKDONJSA-N 367.409 2.199 10 50 FECA COC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 100639691 SGZOSVIVBDGJKT-PTNGSMBKSA-N 365.345 2.052 10 50 FECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1 5009925 NZXSGALZXYZUSH-WJDWOHSUSA-N 352.346 2.030 10 50 FECA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 12923213 JMGVLDZUKHCLQS-LUAWRHEFSA-N 360.464 2.347 10 50 FECA COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1 1437546 GDWOAVFPULCMCY-UHFFFAOYSA-N 358.379 2.057 10 50 FECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(C=O)cc3)C2=O)cc1 5009745 OPDXGUBLOZRTNF-BOPFTXTBSA-N 364.357 2.137 10 50 FECA CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1O 13576638 SNOSLJVEJGIIQG-VQLBTBKJSA-N 353.421 2.465 10 50 FECA CCOc1ccc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 1168933 UWNHRVYCVLYGPI-UHFFFAOYSA-N 367.199 2.282 10 50 FECA COc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(OC)c1 13454383 NEAMPKKAOZFQIX-GHXNOFRVSA-N 353.421 2.380 10 50 FECA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(N2CCCC2)cc1C 15011261 JCWOKPRHSBFYBG-WJDWOHSUSA-N 373.478 2.168 10 50 FECA Cc1ccccc1OCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 65364262 MLFISHIJISTDIQ-UHFFFAOYSA-N 353.466 2.442 10 50 FECA COc1cccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1 683575 KYOSAWMHUUNACV-BOPFTXTBSA-N 371.418 2.149 10 50 FECA Nc1ccc(CC(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1 1615965090 CXXLATYRJUCEDK-PMACEKPBSA-N 351.450 2.096 10 50 FECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 2892680 OFFCJEYHBBLBAY-KAMYIIQDSA-N 367.361 2.283 10 50 FECA CN1CCN(Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)CC1 19902416 ISNLLRBVIGXLKS-UHFFFAOYSA-N 351.406 2.308 10 50 FECA biogenic Cc1ccsc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2702050 RTIDYNYOKYDRPP-CAXXOGMASA-N 359.519 2.445 10 50 FECA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(C)cc1 4525940 GULDNUBMMKWGGC-BOPFTXTBSA-N 355.419 2.449 10 50 FECA Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1NCCc1ccccc1 226975877 SBPGWPDYCRGVBE-XHSDSOJGSA-N 370.413 2.165 10 50 FECA COc1ccccc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 12371705 ZENUTRKZCJXBNH-JYVXZMADSA-N 369.489 2.084 10 50 FECA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 36034005 NSDWXCZFGBHFQY-WMLDXEAASA-N 353.334 2.470 10 50 FECA biogenic CN1C(=O)C(=Cc2ccc(-c3ccc4c(c3)COC4=O)o2)C(=O)N(C)C1=O 1164005 YNWKTFYFMZIPIF-UHFFFAOYSA-N 366.329 2.051 10 50 FECA COc1ccc(N2CCN(C(=O)CCc3nc(Cl)n[nH]3)[C@@H](C)C2)cc1 72475374 XNXAQOVTXUFOCB-LBPRGKRZSA-N 363.849 2.137 10 50 FECA CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)ccc1O 15767747 CXOMQKHHGMHAEV-GHXNOFRVSA-N 353.421 2.165 10 50 FECA