smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 814466 WCQOYUWGKPZHQR-KRWDZBQOSA-N 436.917 3.284 0 50 IGAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 892517 TTWOLISRLCQWPL-UHFFFAOYSA-N 437.447 3.332 0 50 IGAA CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 5092776 KCCBTSGQNSNJRJ-HXUWFJFHSA-N 425.554 3.474 0 50 IGAA COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O 12447275 FXKFRFGFJYCGIP-UHFFFAOYSA-N 444.491 3.120 0 50 IGAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 16447711 RAIUGSLRYCBHJX-UHFFFAOYSA-N 442.468 3.431 0 50 IGAA CCCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 19772012 XBTVXENGPKBWCQ-FQEVSTJZSA-N 426.513 3.347 0 50 IGAA CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)CCc2scnc2C)c(C)o1 19865466 NMVUTQIYGLRLNV-UHFFFAOYSA-N 448.570 3.426 0 50 IGAA Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1 136148374 CVKSAWFNCUVBLV-KSZLKVKMSA-N 427.504 3.440 0 50 IGAA biogenic Cc1noc([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)n1 170594340 PVOROBNDYOEXHC-NRFANRHFSA-N 432.480 3.185 0 50 IGAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@@]2(CO)CCOc3ccccc32)cs1 225648296 OSRGVVQBOWXNJG-XMMPIXPASA-N 435.549 3.268 0 50 IGAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 230200119 XFFVODIUDCYXEW-YWNPBTLJSA-N 439.874 3.219 0 50 IGAA CC(=O)Nc1cccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3Cl)C2=O)c1 252489430 JQYYQXJHKDUYFH-GOSISDBHSA-N 428.876 3.342 0 50 IGAA COc1cccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(C3CCCCC3)CC2)c1 299766535 DYJNBJAJQMWCEX-QHCPKHFHSA-N 439.600 3.414 0 50 IGAA Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 299796706 NOCUFQFQQJBIPQ-GOSISDBHSA-N 430.556 3.150 0 50 IGAA CCOC(=O)C1=C(CN[C@](C)(CC(C)C)c2cccc(Br)c2)NC(=O)NC1 2325860517 KMMDMJJKGPKGMS-HXUWFJFHSA-N 438.366 3.430 0 50 IGAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356153621 ODRILPDHIWEAPZ-HNNXBMFYSA-N 436.537 3.068 0 50 IGAA O=C(Cc1ccccc1)NCC(=O)OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1 1124868 UDDHTOUXNSNBHZ-UHFFFAOYSA-N 437.517 3.063 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1Cl 2860921 FSKKULRGWMWHTH-UHFFFAOYSA-N 436.961 3.408 0 50 IGAA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@]1(NC(=O)c1cccs1)C(F)(F)F 2867207 BTVGVBAXAUDZND-LJQANCHMSA-N 438.427 3.268 0 50 IGAA CC(=O)N1CCC(N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)CC1 11841364 YXKCEDOVQZYTNI-UHFFFAOYSA-N 437.588 3.492 0 50 IGAA CCn1cc(C(=O)Nc2ccccc2C(=O)N2CCSCC2)c(=O)c2ccc(C)nc21 12407701 WTXLOHUHNCNTQM-UHFFFAOYSA-N 436.537 3.166 0 50 IGAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccccn1)CC2 14532937 IIPOOXMGKRHOQX-UHFFFAOYSA-N 435.572 3.364 0 50 IGAA CN(Cc1ccc(F)cc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55090885 CIXIYJOXSHFATH-LJQANCHMSA-N 437.437 3.194 0 50 IGAA O=C(c1nnn2cc(-c3ccccc3)nc(O)c12)N1CCN(c2ccccc2Cl)CC1 263619492 YXHQJSRYGQIRKN-UHFFFAOYSA-N 434.887 3.113 0 50 IGAA Cc1ccc2nc(CNC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)c3)[nH]c2c1 465180450 AORCHKFDKZWILL-CALCHBBNSA-N 440.569 3.468 0 50 IGAA CC(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)N1CC=C(c2cn(C)c3ccccc23)CC1 1875256398 PGQLCDUWBMAMER-JOCHJYFZSA-N 445.519 3.270 0 50 IGAA O=C(Nc1cncs1)N[C@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 2325895283 RBGGPIQWWAPWFB-LBPRGKRZSA-N 435.435 3.414 0 50 IGAA O=C(c1cnccn1)N1CCC(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CC1 2356157937 SVRSBTLUUNCRDA-UHFFFAOYSA-N 431.540 3.127 0 50 IGAA O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(I)cn1 1124355 KROGRDPNPLJTPN-UHFFFAOYSA-N 447.685 3.232 0 50 IGAA COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc(OC)c1OC 1135358 SADCIUGMYBJMNH-KPKJPENVSA-N 448.541 3.441 0 50 IGAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 2877165 QBNISVODXBGGSZ-UHFFFAOYSA-N 428.913 3.365 0 50 IGAA COc1cccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1OC 9849661 FLCVRRSCGVIILN-UHFFFAOYSA-N 437.584 3.260 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CCCn2cncn2)CC1 14950101 IFQDEYUHIXFCKZ-XMMPIXPASA-N 439.604 3.287 0 50 IGAA CCn1ccnc1CN(C)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccc(Cl)cn12 15041941 BPOGBHOASOGYFB-IYBDPMFKSA-N 444.967 3.086 0 50 IGAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(Cl)cc2)CCO3)CC1 20774355 RJRBXCXIQIHXFQ-UHFFFAOYSA-N 427.932 3.039 0 50 IGAA O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccc1F)N1CCOCC1 55060622 RGAYBEDJXLDQSH-UTKZUKDTSA-N 440.544 3.296 0 50 IGAA COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@H](O)CN(C)C(C)C 55199668 VVODPJIQXKIEOV-OAQYLSRUSA-N 426.561 3.055 0 50 IGAA Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)n2n1 225417722 JYNOHJXNZHZNPG-SYNHAJSKSA-N 433.537 3.175 0 50 IGAA biogenic Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc(Br)c1Cl 239254579 YKSLJVDRWYFTOP-YCBBYDHLSA-N 449.732 3.403 0 50 IGAA Cc1noc([C@H](NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C2CCOCC2)n1 241171114 KEHZYGOBLXMYHF-HXUWFJFHSA-N 442.516 3.011 0 50 IGAA CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)Nc3ccccc3OC(F)(F)F)[C@@H]2C1 242339210 ZFYNGATYDVUWFO-HIFRSBDPSA-N 431.411 3.437 0 50 IGAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCCC5)CC4)c3CO2)cc1 263615489 CSCPIHTUKAWHLA-JOCHJYFZSA-N 436.556 3.328 0 50 IGAA O=CN1CCCN(C2CCN(c3ccc(NC(=O)Cc4cccc(F)c4)cc3)CC2)CC1 299766253 MKJDLHTVUCNGIY-UHFFFAOYSA-N 438.547 3.140 0 50 IGAA NC(=O)Cc1ccc(CNC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 812482321 XMMJHKCQIRHXDQ-MHZLTWQESA-N 443.547 3.260 0 50 IGAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)C1 951727050 VUYRZCBYTMTYAM-SNVBAGLBSA-N 432.358 3.299 0 50 IGAA O=C(c1cccc2c1NCCC2)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@@]2(CO)C1 1772808349 NTMIDTUKUZPJGR-ZHRRBRCNSA-N 431.989 3.326 0 50 IGAA Cn1cc(Cl)cc1C(=O)NC1CC2(CCN(C(=O)c3nc4ccccn4c3F)CC2)C1 1875325768 CELYLXCZOZLDCD-UHFFFAOYSA-N 443.910 3.280 0 50 IGAA CC(C)Cn1ncc2cc(C(=O)NCC3CCN(c4ncnc5[nH]ccc45)CC3)cnc21 1875350082 ZXXOJNDOCXMWAZ-UHFFFAOYSA-N 432.532 3.005 0 50 IGAA CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 1110337 YFCZJWPKVJMLPP-UHFFFAOYSA-N 438.505 3.385 0 50 IGAA CCOC(=O)c1sc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)nc1C 2782672 ZVKJSXNCLKXNEZ-UHFFFAOYSA-N 439.493 3.461 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1Cl 9891936 OSMLDTPHHPBHGK-UHFFFAOYSA-N 437.949 3.191 0 50 IGAA O=C(O)c1cc(C(=O)O)c2cc(Oc3ccc4nc(C(=O)O)cc(C(=O)O)c4c3)ccc2n1 16133884 RHHJOVYNQBHFTC-UHFFFAOYSA-N 448.343 3.368 0 50 IGAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(OC)c1 55167900 MAZQWRNCUVXUNZ-FQEVSTJZSA-N 427.520 3.270 0 50 IGAA O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55341064 STZSENBBYQRXOR-LJQANCHMSA-N 425.504 3.024 0 50 IGAA CN(C)c1cccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)c1 169755755 JONDILKYTVVSJR-UHFFFAOYSA-N 443.345 3.429 0 50 IGAA COc1ccc(N2C(=O)[C@H](CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)N=C2O)cc1 252505815 VTZQWICCVXNDDN-IBGZPJMESA-N 440.887 3.208 0 50 IGAA biogenic COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 253400226 DSQWDBHAFHLYDC-NRFANRHFSA-N 432.480 3.230 0 50 IGAA biogenic COc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)cc1OC 263616762 KKGYENRAZUSEDF-LJQANCHMSA-N 428.876 3.150 0 50 IGAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(N2CCCC2)c(Cl)c1 952973765 ANVBIIDHYFHPHX-UHFFFAOYSA-N 443.931 3.430 0 50 IGAA O=C(O)[C@@H]1CN(Cc2cc(Cl)ccc2OCCCn2ccnc2)CC12CCOCC2 1857703453 QCYNLQRQGJLNAY-IBGZPJMESA-N 433.936 3.319 0 50 IGAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1 1875327994 SYUJAYGZOHUFGU-UHFFFAOYSA-N 427.448 3.477 0 50 IGAA O=C1C[C@H](C(=O)N[C@H](Cc2cc(Cl)sc2Cl)C(=O)O)c2ccc(F)cc2N1 2325823926 JAHPULITQVQROG-CMPLNLGQSA-N 431.272 3.432 0 50 IGAA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 862489 AYBPWWCOKCEXOR-LJQANCHMSA-N 443.525 3.153 0 50 IGAA Cc1c(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c(=O)n(-c2ccccc2)n1C 1126203 NYBYQTBEWOAVIC-QGZVFWFLSA-N 428.851 3.409 0 50 IGAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 1149970 HVVUENDIFVHIGQ-OAHLLOKOSA-N 434.514 3.055 0 50 IGAA O=C(C1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(c2ccccc2F)CC1 1179451 XAFKOKXRZDJPJQ-UHFFFAOYSA-N 425.504 3.115 0 50 IGAA O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10506848 KAWLETFGSVOTTH-UHFFFAOYSA-N 438.841 3.329 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1 13590206 OYDHGLDWFBBXAO-ITICKHJUSA-N 438.936 3.452 0 50 IGAA O=C(/C=C/c1ccc(F)cc1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 14993428 GAKHTZSCQHAUQI-OUZREKFBSA-N 448.542 3.211 0 50 IGAA Cc1ccn(CCC(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3cccs3)C2)n1 14995192 MBZPFJJXHKSCDI-AATRIKPKSA-N 449.580 3.261 0 50 IGAA Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](N(C)Cc2nonc2C)C4)cc1 15003991 DRMHWUOOHIQNIM-QGZVFWFLSA-N 435.553 3.495 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1 15068764 LVCKYZUBUVJRJK-LJQANCHMSA-N 444.620 3.438 0 50 IGAA O=C(NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccccc1 19841456 WGOGLFAOMOWUBW-UHFFFAOYSA-N 429.446 3.285 0 50 IGAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1C 55042429 YAMDQTSYSDNHAM-OAQYLSRUSA-N 438.572 3.235 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2OC)cc1 101267658 ANHKDXNTPNMETN-ABSDTBQOSA-N 444.553 3.204 0 50 IGAA COc1cc2c(cc1I)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12 214486469 LNYDWQVKYSUEAC-SNVBAGLBSA-N 446.248 3.495 0 50 IGAA O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1cc(-c2ccc(F)cc2)[nH]n1 225625110 CQISXFWMAYOSPD-UHFFFAOYSA-N 446.280 3.462 0 50 IGAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCCN(c2ccccc2Cl)C1 426021514 NXCVVYKOGDHWGW-XFABVLQASA-N 427.976 3.117 0 50 IGAA Cc1ccc(-c2nnc([C@H](C)OC(=O)c3c(I)cnn3C)o2)cc1 796598832 UAEGPQXAOJTMAP-JTQLQIEISA-N 438.225 3.301 0 50 IGAA CC(C)N1CC[C@H](C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 1327420595 DMIXHEMFCNJHIK-ODGPQVTHSA-N 449.599 3.209 0 50 IGAA O=C(C1CCOCC1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857702943 JNDUBZGHEKPCMP-QFIPXVFZSA-N 428.573 3.428 0 50 IGAA COC(=O)c1c(CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1C 1875257466 DCAMFJLHPVNAFD-QZTJIDSGSA-N 445.519 3.339 0 50 IGAA CC[C@@H](CNC(=O)[C@H](C)n1cnc2ccccc21)CNC(=O)[C@@H](C)n1cnc2ccccc21 2325725728 WWZLKYWFHPPHDK-REPLKXPHSA-N 446.555 3.467 0 50 IGAA CC1=C(C(=O)N2CCC([S@](C)(=O)=NC(=O)CCc3nc(C(C)C)no3)CC2)CCC1 2332238808 MTIWKOZGNKYRFV-PMERELPUSA-N 436.578 3.241 0 50 IGAA CCOC(CCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O)OCC 1134741 SVMFKCVXKXZRJH-UHFFFAOYSA-N 446.529 3.213 0 50 IGAA Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)CN2C(=O)c3ccccc3C2=O)CCCC1 4012610 TXKLXORKJIQNOD-UHFFFAOYSA-N 433.508 3.309 0 50 IGAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c(OC)c1C 14976982 DKUXHNPOZUBAKO-IBGZPJMESA-N 427.549 3.113 0 50 IGAA COc1cccc(CCc2nc3cccnc3n2C2CCN(C(=O)Cn3cccn3)CC2)c1 14995962 AXUUHYVVGCTKCR-UHFFFAOYSA-N 444.539 3.285 0 50 IGAA Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1 20418564 OLKHAAFXCMCSDI-UHFFFAOYSA-N 427.526 3.227 0 50 IGAA COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Br)c1O 22779363 KQKNITOWGHVQOH-UHFFFAOYSA-N 435.318 3.210 0 50 IGAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 23369334 DNOBPPQVRYQIIR-IBGZPJMESA-N 430.570 3.334 0 50 IGAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 39388450 FAYHQOHACJHPIH-AWEZNQCLSA-N 433.434 3.439 0 50 IGAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)ncn2)n1 65363342 BFAZRXFRDCQZNR-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA Cc1cc(=O)c(C2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(Cl)c(Cl)c3)C2)c(O)o1 198414855 UYMWYWUUBDMVBF-AWEZNQCLSA-N 433.251 3.370 0 50 IGAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCCN21 253389864 XRGXUDGPDOIAIG-KCOOYEKVSA-N 435.911 3.388 0 50 IGAA CN(C)CCOc1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 409413793 DFIRQVABJKTEEA-UHFFFAOYSA-N 428.485 3.094 0 50 IGAA biogenic COCCc1noc(CN2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)n1 1857702599 DNFWSLVNOFXJQJ-OAQYLSRUSA-N 428.577 3.330 0 50 IGAA Cn1ncc(C(=O)NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)c1S(C)(=O)=O 1875261411 YHTRBBWZQPQGGU-UHFFFAOYSA-N 427.404 3.032 0 50 IGAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3(Cc4c(F)cccc4F)CCCCC3)ccc21 2325876809 BRMCSCIQCVYCFL-UHFFFAOYSA-N 449.523 3.379 0 50 IGAA COCCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2C)sc2c1CCCC2 2743604 MLSBSBFYIMYCNQ-UHFFFAOYSA-N 431.436 3.435 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3C)o2)C1 4104158 YKTXRAXTPNVEFO-QGZVFWFLSA-N 433.526 3.118 0 50 IGAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@]12C(=O)N1c3c(cccc32)[C@@H](C)CC1(C)C 8917768 VYAJMYVGACWBRQ-CANCMXDXSA-N 434.492 3.437 0 50 IGAA biogenic Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)nn1C 12301113 LWOSAUCHNVJPMG-OAQYLSRUSA-N 428.552 3.401 0 50 IGAA COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12452873 JLWLETNFKQEAKE-QFIPXVFZSA-N 439.556 3.495 0 50 IGAA Cc1ccc(C(=O)N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)cn1 12596973 KUAATFDHXUSMAH-DEOSSOPVSA-N 434.584 3.413 0 50 IGAA O=C(CCC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1)NCc1cccc(C(F)(F)F)c1 67879873 AUPUZNUSJZAKQV-SFHVURJKSA-N 439.478 3.009 0 50 IGAA COc1cc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(OC)c1OC 169759527 RRQMUGYROMJDMI-KRWDZBQOSA-N 440.475 3.250 0 50 IGAA CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1 201719412 ALXLLOQTGLPCFG-IHMJZKOGSA-N 445.519 3.140 0 50 IGAA biogenic COc1ccc(N2C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3C2=NC(=O)N3C)cc1 253471232 OFYBIZNUENRYNQ-OXQOHEQNSA-N 439.468 3.074 0 50 IGAA Cc1c(CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)noc1-c1ccccc1 2325819085 QQWKUVYVQWUIQE-UHFFFAOYSA-N 427.404 3.465 0 50 IGAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(Br)c1 1122835 OBNQGWFDUQRVGT-UHFFFAOYSA-N 427.320 3.025 0 50 IGAA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2461601 DXLIEVAXUXXAMA-IZZDOVSWSA-N 444.563 3.470 0 50 IGAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)CCc1cnccn1 12474758 RKBVQOCJKUPYMR-UHFFFAOYSA-N 449.643 3.069 0 50 IGAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O 14747691 CTGMUSKQZXPXOS-UHFFFAOYSA-N 435.568 3.217 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccc(F)cc2F)C4)cn1 14993644 MZFPGOVAHKVWTQ-MRXNPFEDSA-N 441.507 3.165 0 50 IGAA O=C1NC(=O)C2(CCC(C(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)CC2)N1 110678803 SBYBKYKGDOSFCM-MFJXPNHLSA-N 429.520 3.168 0 50 IGAA COc1ccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1 169760342 VVQRTGOOXBLPBL-UHFFFAOYSA-N 442.519 3.362 0 50 IGAA CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 239073288 GWOLHPRCLHZMIN-ILRDRHFLSA-N 428.533 3.207 0 50 IGAA CCOC(=O)[C@H](NS(=O)(=O)c1cccs1)c1c(C)nn(Cc2ccccc2)c1C 253417657 XPXWKARJKFZBLZ-LJQANCHMSA-N 433.555 3.192 0 50 IGAA CS(=O)(=O)CC1(CN2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CC1 952895295 ZHBHXVNZULDYCQ-SFHVURJKSA-N 447.454 3.206 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1OC 780462 DGRWAYNKIZDWLD-UHFFFAOYSA-N 432.542 3.360 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 1137818 RXQVAVZLWYMRTH-UHFFFAOYSA-N 431.341 3.393 0 50 IGAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCc2cnc3ccccn23)CC1 12302930 BSBBTQKIGOUVFG-UHFFFAOYSA-N 426.904 3.307 0 50 IGAA O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)C1 19809994 HVIKSYVLHLPJSX-GCJKJVERSA-N 437.515 3.160 0 50 IGAA COc1ccc2cc(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)ccc2c1 20386161 SNJNFBABNYTNOT-IBGZPJMESA-N 427.526 3.472 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CN1CCc1ccccc1 23338994 QXDFCANJMZWUOY-VISBSAOHSA-N 431.580 3.325 0 50 IGAA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccco2)C(=O)N1c1ccc(N2CCOCC2)cc1 136458203 MRJZHFXLXKCAMK-RJGXRXQPSA-N 445.475 3.167 0 50 IGAA Cc1ccc(F)cc1C(=O)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 225731683 RBCZRAFDBPZCQP-UHFFFAOYSA-N 446.685 3.316 0 50 IGAA CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 241630917 PMLJFGWBZUAJDV-RXVVDRJESA-N 425.485 3.296 0 50 IGAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3CCn4cccc4[C@H]3C)cc2)C1 251769657 DZJFRWVLWQRUFH-GUDVDZBRSA-N 444.601 3.170 0 50 IGAA Cc1cc(N2C[C@@H](C(=O)Nc3cncnc3N3CCCC3)CC2=O)ccc1Br 499449748 PGTRNQDWBIENKA-AWEZNQCLSA-N 444.333 3.139 0 50 IGAA COc1ccc(C)cc1-n1cnc(C(=O)Nc2ccc(CN3CCN(C4CC4)CC3)cn2)c1 1875264916 JXOWKPUTXXLBKT-UHFFFAOYSA-N 446.555 3.117 0 50 IGAA Cc1cccc2cc(C(=O)N3CC4(CCOCC4)C[C@@H]3CNC(=O)c3cccnc3)cnc12 1875361445 SKLKZQIQUNOOSU-JOCHJYFZSA-N 444.535 3.380 0 50 IGAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@]2(=O)CCCN(C(=O)OC(C)(C)C)CC2)cc1 1875373610 IBOXEVUMJAUEKH-PMERELPUSA-N 435.546 3.084 0 50 IGAA Nc1ccc(I)cc1C(=O)N(CCc1ccccc1)[C@H]1CCOC1 2325870067 IGGNJODDGZYHKM-INIZCTEOSA-N 436.293 3.347 0 50 IGAA CCOc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1 879930 LOYJOEHTSYXFOQ-UHFFFAOYSA-N 439.537 3.300 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 5919826 FHTLLRSAJGDLNX-OAQYLSRUSA-N 446.507 3.251 0 50 IGAA COc1ccc(CN(C)CCOc2ccc(C)cc2)c(OC[C@@H](O)CN2CCCC2)c1 12701468 QNDSKVCCCAUVGL-QFIPXVFZSA-N 428.573 3.350 0 50 IGAA O=C([C@@H]1CC(c2cccc(Br)c2)=NO1)N1CCN(Cc2ccccc2)CC1 12847775 YXBRSKLIUSZIOM-FQEVSTJZSA-N 428.330 3.287 0 50 IGAA CCCc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3F)C2)n(C)n1 14533085 DBSBKMQYRRCPGV-FQEVSTJZSA-N 444.551 3.038 0 50 IGAA CC(C)C[C@@]1(C2CCN(Cc3cnn(C)c3)CC2)NC(=O)N(CCc2cccs2)C1=O 14988747 CWXMMGMXHXASRG-QHCPKHFHSA-N 443.617 3.273 0 50 IGAA Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccncc3)nn2)cc1 225720099 DEHZCTHBXZXGNV-OAQYLSRUSA-N 448.527 3.405 0 50 IGAA O=C(O)CCC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 253424315 DJVAAQMCTZVMDY-UHFFFAOYSA-N 430.797 3.236 0 50 IGAA C[C@H](O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H](C)C1 476863456 XEHIWGPCBOCRAT-MOPGFXCFSA-N 436.531 3.134 0 50 IGAA COC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1cccc2nn(C)nc12 1875335895 KKYHOLMFLRTKDF-UHFFFAOYSA-N 438.465 3.348 0 50 IGAA CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3c(O)ncnc23)c1 1875336329 WWJCPMIHQHIXJJ-UHFFFAOYSA-N 434.477 3.413 0 50 IGAA CC1(C)CCN(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325901578 MAVGWETVFJPWBB-FQEVSTJZSA-N 446.507 3.167 0 50 IGAA O=C(O)c1cccc(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1 836661 NXXVMIZHTPAUIK-CYBMUJFWSA-N 436.704 3.391 0 50 IGAA COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCSc2nnnn2C)cc1 12299176 XSULKTXTSRVLOH-UHFFFAOYSA-N 439.520 3.092 0 50 IGAA CN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCCN(C4Cc5ccccc5C4)C3)cc2)CC1 12319675 SUZPFNPNIYHJEE-RUZDIDTESA-N 432.612 3.142 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(F)ccc3C)cc2)CC1 12711717 FSIAURQZDLOZHB-UHFFFAOYSA-N 428.504 3.470 0 50 IGAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NCC1C3CC4CC(C3)CC1C4)C2 14748628 FFYNMQKVJNPKBC-UVFITVQJSA-N 433.600 3.264 0 50 IGAA CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 14749969 QHAVAXLZYYJTDG-KRWDZBQOSA-N 436.512 3.144 0 50 IGAA Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1 20450837 LESRLQHBCTUQIP-AWEZNQCLSA-N 431.512 3.476 0 50 IGAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3csc(-c4cccs4)n3)C2)cc1 55166259 AOUMCVXZABGDQF-ROUUACIJSA-N 429.567 3.198 0 50 IGAA Cc1nn(-c2ccccc2)c2ncc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc12 170516755 RTUSALUESIDIMT-UHFFFAOYSA-N 425.448 3.354 0 50 IGAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 239305994 GHELZGBQBRYADY-RANZSIQMSA-N 443.240 3.251 0 50 IGAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 409414871 QCPCYFLQYBYLOM-OXQOHEQNSA-N 431.492 3.439 0 50 IGAA O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(-n2nccn2)nc1 1291742214 JDTGYFRNCAKKLC-KRWDZBQOSA-N 434.403 3.051 0 50 IGAA CCOC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 1423126 BTITVVXDZKHGFD-FQEVSTJZSA-N 442.493 3.387 0 50 IGAA CNC(=O)N(O)[C@H]1N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C(=S)SC1(C)C 3876674 GKOGLHNQZQKESQ-SNVBAGLBSA-N 438.362 3.499 0 50 IGAA COc1cc(CN(C(C)=O)[C@H]2CCCCNC2=O)cc(OC)c1OCCc1ccsc1 12193065 XNYFFIXBHYJXPL-IBGZPJMESA-N 446.569 3.404 0 50 IGAA COc1ccc(CNCC2CCN(C)CC2)cc1OC[C@@H](O)CN1CCCCCCC1 15064862 SPYPTYUEETYNCK-QHCPKHFHSA-N 433.637 3.132 0 50 IGAA CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19363102 ZVAGYYMRMYJSOW-NRFANRHFSA-N 426.557 3.270 0 50 IGAA O=C1CC[C@@H](CN(Cc2ccncc2)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)N1 55053210 UNVNZUGZUWJUDJ-KRWDZBQOSA-N 431.418 3.431 0 50 IGAA COc1ccc(N2C[C@H](c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)CC2=O)cc1 169755375 PMYCAYZEVNQDEE-CQSZACIVSA-N 425.441 3.292 0 50 IGAA CN(C)c1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1 169778063 UPYAKAWHTNOFQL-IBGZPJMESA-N 429.484 3.148 0 50 IGAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H]1c1nc3ccccc3s1)C2=O 245228206 KAXOKWBOSXDUAQ-RQVMVGKASA-N 426.542 3.461 0 50 IGAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1 299779870 PXJOESXBJBJYAV-SFHVURJKSA-N 431.577 3.427 0 50 IGAA C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)[C@H]2CCCC[C@@H]12 461159493 MCKBJPWFKXOLNY-SEVLPDGMSA-N 434.548 3.115 0 50 IGAA O=C(Cn1c(S)nc2ccccc2c1=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 746687553 HKVOUUJDJKHBSO-MRXNPFEDSA-N 431.464 3.480 0 50 IGAA CN(C)C[C@@H](Nc1ncncc1C(=O)NC[C@H]1CC(C(C)(C)C)=NO1)c1ccc(F)cc1 1875355967 IKIYNRCOSKMHOA-IEBWSBKVSA-N 442.539 3.251 0 50 IGAA Cn1ncc(C(=O)N[C@@H](c2ccc(-c3nn[nH]n3)cc2)C(F)(F)F)c1Cc1ccccc1 1875358127 KIYLYSWUEXESDB-SFHVURJKSA-N 441.417 3.224 0 50 IGAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 979364 UFJLBPQADJGVDB-UHFFFAOYSA-N 442.368 3.108 0 50 IGAA COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 1133536 BKZPZGOIFMTVNM-WOJGMQOQSA-N 440.477 3.222 0 50 IGAA O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CCC(=O)O)cc3o2)cc1 2846270 KNTGVUPSOUVHNG-UHFFFAOYSA-N 425.397 3.101 0 50 IGAA CCOC(=O)c1sc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(C(=O)OCC)c1C 2933459 DKKRTROMMRWVRR-UHFFFAOYSA-N 449.437 3.059 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccccc1 2987336 JXHGGXXVBCRHRZ-BARSGRSVSA-N 448.544 3.197 0 50 IGAA COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 6625679 CMHGIUMUKKMYOX-UHFFFAOYSA-N 448.280 3.376 0 50 IGAA Cc1cc(C)n(CC(=O)N(CCN2CCCCC2)C[C@@H]2CCCN(C3CCCC3)C2)n1 11662722 QDFQGZVPFXPYEL-HSZRJFAPSA-N 429.653 3.469 0 50 IGAA Cc1nc(C)c(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)s1 11790243 MDKNMYZDZHQUGI-UHFFFAOYSA-N 427.555 3.048 0 50 IGAA O=C(Nc1cnn(CC(=O)N2CCCC[C@@H]2c2ccccn2)c1)c1ccc2c(c1)OCO2 12023513 JYFRPOYAJZOMOG-LJQANCHMSA-N 433.468 3.013 0 50 IGAA COc1ccc([C@]2(CC(=O)NCc3nc(C)cs3)CC(=O)N(C3CCCC3)C2=O)cc1 12097543 RIVQSKOKYNQVHD-QHCPKHFHSA-N 441.553 3.106 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1)N1CCN(c2ccccn2)CC1 14963115 ZJOMUWZWUNBLEW-QHCPKHFHSA-N 449.599 3.175 0 50 IGAA CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N[C@@H]2CCOC(C)(C)C2)c1 15007784 WEEUBBIOECPTNT-GOSISDBHSA-N 431.577 3.254 0 50 IGAA N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)S1 16247647 FLFWRUKLQNZEIV-ZROIWOOFSA-N 439.312 3.355 0 50 IGAA CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1 20599603 BAOOUOPTZPARFQ-GOSISDBHSA-N 449.555 3.235 0 50 IGAA CCn1ncc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)CC2)c1C 20607240 IZQNASWCCPJLKG-UHFFFAOYSA-N 440.495 3.136 0 50 IGAA O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1 67789873 APOAINWQWNIOEO-NRFANRHFSA-N 434.584 3.358 0 50 IGAA C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241338557 MBSKXWCAHDSVLV-ZPMCFJSWSA-N 445.519 3.410 0 50 IGAA Cc1ccc(C2=NN(C(=O)CN3C[C@@H](C(N)=O)Oc4ccccc43)[C@H](c3ccco3)C2)cc1 241837509 SKTDFONMRCZLQU-REWPJTCUSA-N 444.491 3.019 0 50 IGAA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245242288 XHHWFEGPPWWFRP-GSRZOBFVSA-N 435.911 3.388 0 50 IGAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 299766451 OHMOBEPXCSSYLD-DEOSSOPVSA-N 426.536 3.448 0 50 IGAA C[C@@H](CCc1ccc2c(c1)OCO2)N=c1ccc2nnc(-c3ccc4c(c3)OCO4)n2[nH]1 2325730663 FLDLJPFXLYZDJV-AWEZNQCLSA-N 431.452 3.104 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NN2Cc3ccc(Br)cc3C2=O)CC1=O 2325819696 NFSFUPZLJJWKAN-CJNGLKHVSA-N 442.313 3.046 0 50 IGAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCCC[C@@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325898042 QFNGXWTZGSQUCB-RTWAWAEBSA-N 446.507 3.207 0 50 IGAA Cc1ncc2c(c1CNS(=O)(=O)c1cccs1)CCN(C(=O)c1ccccc1)C2 11786006 DAAQEIREOKANPT-UHFFFAOYSA-N 427.551 3.129 0 50 IGAA COc1cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1F 12159229 SZCNYPGCOYAWNU-OAQYLSRUSA-N 441.507 3.204 0 50 IGAA O=C(c1cccc(Cl)c1)N1CCC(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 12342237 CLPRLNIDUQTVOX-IBGZPJMESA-N 429.879 3.005 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CSc2ccncc2)C1 20119347 CCETYLNLBYYMLQ-LJQANCHMSA-N 426.586 3.289 0 50 IGAA CCN1c2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2C(=O)N2CCCCC[C@H]21 169765961 YRIIRILGMWZVDU-QHCPKHFHSA-N 433.556 3.226 0 50 IGAA O=C1CNC(=O)N1CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 229474151 JERSRHOYSUPENE-YFXMHUDWSA-N 428.492 3.361 0 50 IGAA CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 229969034 VXZVDOIXGKLBDR-JXALWOEJSA-N 431.577 3.039 0 50 IGAA COCCCNc1nc(CN2CCC(N3CCSCC3)CC2)nc2ccc(C)cc12 299765850 CEZHVOZNVSRICC-UHFFFAOYSA-N 429.634 3.400 0 50 IGAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446084296 UBRHLRKENBLFQM-LDIXRSFVSA-N 441.531 3.151 0 50 IGAA CC(=O)N1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC12CCCCC2 498925272 YWGBRKYRTIQKTD-UHFFFAOYSA-N 441.601 3.144 0 50 IGAA O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)NC[C@@H](CO)Cc1c(F)cccc1Cl 1875262107 ZVDSFWOTQAXHIY-LHSJRXKWSA-N 448.922 3.145 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 664402 LLNGFOIFZYMZHH-UHFFFAOYSA-N 445.310 3.292 0 50 IGAA Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nnc(C)s2)cc1 4035779 ZXAIDFVMOCWVLE-UHFFFAOYSA-N 439.570 3.396 0 50 IGAA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(Br)cc2)C3)cc1 8583720 KQASEMBDCMMFOT-SFHVURJKSA-N 428.286 3.455 0 50 IGAA COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)cc1CSc1nc2ccccc2[nH]1 9504362 YLUDXVPATJVICU-IEBWSBKVSA-N 435.509 3.275 0 50 IGAA O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCN(Cc3cccn3-c3ccccn3)CC2)N1 11995664 HYAYKRIOSZILNO-VWLOTQADSA-N 447.514 3.044 0 50 IGAA CSc1ccc(C(=O)N2CCC([C@]3(C)NC(=O)N(Cc4ccncc4)C3=O)CC2)cc1 12182177 KHHNFCCMYZHHDM-QHCPKHFHSA-N 438.553 3.166 0 50 IGAA CC[C@H]1CN(CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 12454441 BJFLRWFONQLPFZ-IBGZPJMESA-N 426.513 3.146 0 50 IGAA COc1cc(CN(C)CCc2cnn(C)c2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12593805 NLYNMMNNXNJCBE-QHCPKHFHSA-N 444.620 3.107 0 50 IGAA CCOC(=O)CN(C)C(=O)c1c(CCc2ccccc2)n(Cc2ccccn2)c(C)cc1=O 14883248 JFVWDEYVWTZRPS-UHFFFAOYSA-N 447.535 3.020 0 50 IGAA Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 14991821 SHXFYCUXIFMZTD-DEOSSOPVSA-N 447.535 3.457 0 50 IGAA COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1O 17835924 LEBSQAFYDAPXJL-ZLNRFVROSA-N 430.460 3.448 0 50 IGAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@@H]2c1ccc(F)cc1 19171369 AIYWZKPBBLQASD-KSZLIROESA-N 430.277 3.124 0 50 IGAA C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2 20783490 NGJYNOFNGXYQAR-ZDUSSCGKSA-N 447.436 3.384 0 50 IGAA O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCC2 239038878 FCMMJIAODKQJRQ-DTTOXWODSA-N 432.542 3.116 0 50 IGAA CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)c2C1 465371981 OEXHJNKTCNJCJJ-FBJHADKPSA-N 448.567 3.494 0 50 IGAA O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](O)c1cccc(C(F)(F)F)c1 797228524 QUXUYVPKJKLYRC-ZBFHGGJFSA-N 437.336 3.314 0 50 IGAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(C)nc2ccccn12 2325815448 XKTUZRCFOVPEFS-UHFFFAOYSA-N 428.514 3.078 0 50 IGAA COC(=O)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 724575 WPCOALRULVQXTM-UHFFFAOYSA-N 440.262 3.205 0 50 IGAA CN(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 839970 WBEYLSOXEJAKSK-UHFFFAOYSA-N 435.549 3.474 0 50 IGAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cc(Br)ccc1OC 2502863 UJMMAXKIQSYHBV-OAHLLOKOSA-N 425.304 3.281 0 50 IGAA O=C(Nc1ccc(Br)cc1F)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 2794242 AVSTUDIVDIKBEV-UHFFFAOYSA-N 442.252 3.196 0 50 IGAA CC[C@@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 12021910 JTAFTLBXFUVHJL-DEOSSOPVSA-N 439.512 3.430 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3OC)cc2)CC1 12028018 ZLSXNZMBAQOYOZ-UHFFFAOYSA-N 440.540 3.074 0 50 IGAA Cn1nc(C(=O)N2CCC[C@@H]3CN(CCc4ccccc4)CC[C@@H]32)c2ccccc2c1=O 12035642 ZEJTWSGZLKJIOX-OFNKIYASSA-N 430.552 3.103 0 50 IGAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 12075110 LYRXNTZKDOGKED-IBGZPJMESA-N 437.584 3.289 0 50 IGAA C[C@@H](CCn1cccn1)NCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 12313787 SMYRWXBUZVPMHD-SFHVURJKSA-N 436.585 3.475 0 50 IGAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 14752369 OJKJQJQEBIFLLX-UHFFFAOYSA-N 445.567 3.435 0 50 IGAA O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCN(Cc2ccccn2)CC1 19840661 SHUAVKPYWALTTF-UHFFFAOYSA-N 432.524 3.485 0 50 IGAA COc1cc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc(OC)c1 21795872 JFDVLUIWXJMNHE-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA COC(=O)Cn1cc([C@@H](C)OC(=O)Cc2csc3ccc(Br)cc23)nn1 225399297 KREICRXCZHVBDM-SNVBAGLBSA-N 438.303 3.275 0 50 IGAA CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 239038414 DDFQFNJRRUYFJF-AEWKFYLCSA-N 434.330 3.491 0 50 IGAA Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 241383123 MSSPHBBUAMEFKK-HRCADAONSA-N 427.448 3.312 0 50 IGAA CC1CCN(C(=O)C2CCN(CC(=O)N[C@@H](c3ccccc3)c3nccs3)CC2)CC1 303589426 HFKHZQFCWNABEW-QFIPXVFZSA-N 440.613 3.319 0 50 IGAA Cc1noc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506403956 YBEPTXJKDJBUHB-LLVKDONJSA-N 431.396 3.296 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)c(Cl)c2)cc1 979120 XMPLISVQQJXCPG-GOSISDBHSA-N 436.961 3.447 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 11957777 VLSQWANASOMQAB-JOCHJYFZSA-N 433.936 3.101 0 50 IGAA CN(C)CCN(Cc1ccccc1OC[C@H](O)CN1CCSCC1)C1CCCCC1 20205234 WYRBNVDISDDTPI-HSZRJFAPSA-N 435.678 3.171 0 50 IGAA CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 25691766 AQGNAWPCVFCZDK-NHCUHLMSSA-N 442.512 3.078 0 50 IGAA COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3Cl)ccc1=O)CC2 61718127 VCGAMLAPSJFQHO-UHFFFAOYSA-N 439.899 3.166 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4OC)ccn3n2)cc1 169781141 BFMGQXCAFBRGSW-UHFFFAOYSA-N 432.480 3.000 0 50 IGAA O=C(NOCc1ccc(F)cc1Br)C1CCN(C(=O)c2ccco2)CC1 170602429 SGOJNRXSCYUGLF-UHFFFAOYSA-N 425.254 3.281 0 50 IGAA C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170621515 QBUHMEOSCJEHJZ-RTBURBONSA-N 448.583 3.417 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 229901946 ATPCUYQGOXKMIT-BREDGVMVSA-N 442.302 3.425 0 50 IGAA O=S1(=O)C[C@H]2CN[C@H]1[C@H]1[C@@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 257356005 FEFYYVWOHFNCLG-JFXOJIBUSA-N 429.541 3.424 0 50 IGAA COc1ccc([C@]2(CC(=O)N3CCCC[C@@H]3c3ccccn3)CC(=O)N(C3CC3)C2=O)cc1 299755670 GNDXTNRFKKENIC-GJZUVCINSA-N 447.535 3.393 0 50 IGAA Cc1cc(C)n(CC(=O)NCc2nnc(SCc3ccccc3F)n2CC(C)C)n1 299794415 JSRDFIBXGHWZQT-UHFFFAOYSA-N 430.553 3.495 0 50 IGAA CSCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)c1nc2ccccc2[nH]1 334161860 JYSOGXJIZOPPJE-LSTDLKDCSA-N 447.630 3.199 0 50 IGAA CN1CCN(c2ccc(-n3cc(-c4ccncc4OCC4CCNCC4)cn3)cc2)CC1 584904672 BLFBSGVUERKSST-UHFFFAOYSA-N 432.572 3.065 0 50 IGAA in-vitro O=C1CCN(CC2(c3ccccc3)CCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 1875329131 GXSSBFKXYAAXDU-UHFFFAOYSA-N 445.519 3.449 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1875370872 GUNRDVOEXMGYHR-XMMPIXPASA-N 427.545 3.495 0 50 IGAA O=C(NC1CCN(Cc2cscn2)CC1)c1c[nH]c2ccc(Br)cc2c1=O 2325749561 RHRFSPMQUZADHY-UHFFFAOYSA-N 447.358 3.142 0 50 IGAA O=C(C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325820036 YJVFPHNRZVPNCQ-HXUWFJFHSA-N 443.906 3.127 0 50 IGAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356142352 ORDYGFVYRKKICT-FQEVSTJZSA-N 426.966 3.355 0 50 IGAA O=c1/c(=C/c2cccc(Br)c2)sc2nc3cc(Br)cnc3n12 1196672 YMOYMKNAXWVPPL-XGICHPGQSA-N 437.116 3.377 0 50 IGAA O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCCCn1ccc2ccccc21 12454678 RZVGHLYGFYLAHW-UHFFFAOYSA-N 443.536 3.440 0 50 IGAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3ccco3)C2)c1 14533004 DPGSVYRWECBAAK-HSZRJFAPSA-N 448.519 3.401 0 50 IGAA Cc1noc(C)c1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14749223 JDDBQGIXRVMQLK-OAQYLSRUSA-N 425.529 3.494 0 50 IGAA COc1cc(C[C@@H](C)NCc2cc(NC(C)=O)cc(C(=O)N3CCCC3)c2)ccc1O 15070377 KFIWQSCCUACVSG-MRXNPFEDSA-N 425.529 3.316 0 50 IGAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCCC[C@H]1CO 19300250 AWKKMTGRNQVUCK-VWLOTQADSA-N 427.633 3.169 0 50 IGAA CC(C)S(=O)(=O)c1ncc(CN(C)CCN2CCCCC2)n1Cc1ccccc1F 22913479 UUGUOJGCMWJFAN-UHFFFAOYSA-N 436.597 3.170 0 50 IGAA Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1I 225541945 JGEBMAIDLWNZFM-UHFFFAOYSA-N 436.359 3.187 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239439346 ZUGPJBNNTFSREC-UALGEBADSA-N 436.508 3.025 0 50 IGAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 252490789 LBAYYZAENAOFNO-HSZRJFAPSA-N 441.535 3.489 0 50 IGAA COc1ccc(-c2nn3ccn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)c3c2CO)cc1 263615722 DUNPWFDHERGOBL-UHFFFAOYSA-N 446.507 3.426 0 50 IGAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)CSc1cccc(OC)c1)C2 952974103 ZEQWYXJGBDYMDM-REHUZNOOSA-N 448.629 3.153 0 50 IGAA CO[C@H](CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(SC)o1)C(F)(F)F 2325850665 FCCNMVKKKJYNLT-DDUZABMNSA-N 442.459 3.481 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2OC)cc1 784220 JILZBKXAQYGMPM-UHFFFAOYSA-N 432.542 3.302 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1C 1062344 VBNUGCLUKXDAGN-UHFFFAOYSA-N 445.310 3.164 0 50 IGAA COc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1903363 GHLPBHQKGYFJKB-UHFFFAOYSA-N 442.497 3.084 0 50 IGAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(OCCO)cc2)CC1 11765709 LDEJFWPYOUMNCT-UHFFFAOYSA-N 427.541 3.454 0 50 IGAA COC(=O)[C@@H]1CC(=O)N(Cc2cccc(OC)c2)C12CCN(C[C@@H]1CC=CCC1)CC2 12040501 DVRQRFXUOZKDSQ-KNQAVFIVSA-N 426.557 3.408 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)N[C@H](C)Cc2ccsc2)(c2ccccc2C)C1=O 12196824 QPSOKVUNHLFLEI-HOYKHHGWSA-N 442.581 3.227 0 50 IGAA O=S(=O)(c1cccc2cccnc12)N1CCC(CO)(CCOc2ccccc2)CC1 12373465 WZFXLNZDMQGVNP-UHFFFAOYSA-N 426.538 3.467 0 50 IGAA COc1cc(-c2n[nH]cc2CN2CCCC[C@@H]2CCN2CCOCC2)cc(OC)c1OC 12445325 PXTADWUTFWLFKS-HXUWFJFHSA-N 444.576 3.179 0 50 IGAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)/C=C/c1cnn(C)c1 12592296 RWKLVMOKNWEYTQ-MDZDMXLPSA-N 449.643 3.093 0 50 IGAA CC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(=O)c(-c5ccccc5)nn4c3=O)o2)cc1 16266913 CWUNHPKSSJTQGC-MOSHPQCFSA-N 441.468 3.189 0 50 IGAA Cc1ncccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19774876 NGXUZKAMSMPIFH-HSZRJFAPSA-N 434.584 3.367 0 50 IGAA COc1ccccc1CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3nccnc3c2)C1 43641797 AOSOGZWBJOYRPY-REWPJTCUSA-N 444.535 3.334 0 50 IGAA CCCCn1c(CN2CCCC[C@H]2C(=O)OCC)cnc1S(=O)(=O)CC1CCC1 55134281 KMSHFYUJXYJKJF-IBGZPJMESA-N 425.595 3.175 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@H]2CCO)CC1 104482255 QWSRIFXBPOWUCS-HXUWFJFHSA-N 429.527 3.327 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)c2)cc1 169618757 JXWPNABMPCXMNW-QPJICYPMSA-N 433.460 3.437 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 227303048 OMYCOSYSHAPXGK-KCXPTXFHSA-N 442.302 3.425 0 50 IGAA O=C(NS(=O)(=O)c1ccccc1Cl)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 252538703 NERVTRZHTXHAHE-HUUCEWRRSA-N 446.878 3.455 0 50 IGAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1noc(-c2ccccc2Cl)n1 263618381 SRJQNDUFYMULCC-UHFFFAOYSA-N 433.855 3.407 0 50 IGAA O=C1N[C@H](Cc2cccc(Cl)c2)C(=O)N1Cc1ccc(OCCN2CCCC2)cc1 804164171 RYZRQWAXIDKXPE-OAQYLSRUSA-N 427.932 3.478 0 50 IGAA O=C(CCCn1cccn1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857699350 SAAUNXLEWLCMDS-JOCHJYFZSA-N 438.572 3.288 0 50 IGAA CC(C)(C)c1cccc(OCCOC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 2325729825 JCFGFIGVEIJADP-UHFFFAOYSA-N 446.569 3.402 0 50 IGAA COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1 886788 MIGYVGUPLNBEGD-UHFFFAOYSA-N 432.542 3.158 0 50 IGAA COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN1CCCCCCC1 11661266 QVJMEMMABQSTQX-HXUWFJFHSA-N 442.604 3.203 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 12021253 PJCMZGTVFYXMJT-HNNXBMFYSA-N 432.908 3.021 0 50 IGAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1=O 12040811 YIYNNKIMFIKGRV-SFHVURJKSA-N 439.556 3.047 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 12192052 DKHGYGPVKROLOX-OAQYLSRUSA-N 438.547 3.131 0 50 IGAA COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1 12279520 HVIZWIBNFOQZGE-JOCHJYFZSA-N 448.571 3.257 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 12360433 VYGGYMPDHJNROZ-UHFFFAOYSA-N 445.357 3.145 0 50 IGAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 13897110 HRIXHPBRGMPLTI-UHFFFAOYSA-N 425.400 3.090 0 50 IGAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)N(C)Cc4cn(C)nc4C)C3)nc(C)c2c1 14950650 YJJZDEHXSLGLAN-GOSISDBHSA-N 436.560 3.254 0 50 IGAA COc1cccc(CN2C[C@@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CCC2=O)c1 15079045 DVUXENKWPGXTKF-IBGZPJMESA-N 441.959 3.436 0 50 IGAA CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)on1 19606890 KHGBMODILCBHFN-HSZRJFAPSA-N 448.523 3.036 0 50 IGAA Cc1c(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)cnn1C 20615179 RSIOOJAHCGZMDO-JTQLQIEISA-N 425.436 3.361 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nn2)nc1 72140582 AAUJPPQECNYAOD-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 170614138 UQAIDXZIMKCYGR-IBGZPJMESA-N 442.468 3.264 0 50 IGAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCCN21 253389863 XRGXUDGPDOIAIG-AZXNSQLWSA-N 435.911 3.388 0 50 IGAA COc1cc(CC(=O)N[C@H](C)c2ccc(Br)cc2OCCCO)ccc1O 1450444675 IADIZOOLNBJDAO-CYBMUJFWSA-N 438.318 3.344 0 50 IGAA O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775971141 GFZAKUPQGILMPP-KESTWPANSA-N 444.535 3.118 0 50 IGAA Cc1sc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1S(N)(=O)=O 1875256776 MFCGHXYIZAVNKK-SFHVURJKSA-N 430.551 3.080 0 50 IGAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1 2998348 YMTHHOUKCSPLML-UHFFFAOYSA-N 440.949 3.267 0 50 IGAA COc1ccc(-c2noc(CN3CCC(Oc4cccnc4)CC3)n2)c(OC)c1OC 11821096 HCZQLEKQMHOGBE-UHFFFAOYSA-N 426.473 3.201 0 50 IGAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O 11880402 QIKJRAOCTNJTMQ-QFIPXVFZSA-N 443.547 3.470 0 50 IGAA CO[C@H](CNC(=O)Cn1cc(NC(=O)CSc2ccccc2)cn1)c1cccs1 11974093 HQZNNEACBMDVBW-QGZVFWFLSA-N 430.555 3.179 0 50 IGAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)CCc3cnccn3)cc2)n1 12372882 JXFGVIKFPRLPHC-JOCHJYFZSA-N 432.528 3.232 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCc2ccccc2Cl)c1=O 14966818 COWYEXOVZFADMA-UHFFFAOYSA-N 437.927 3.272 0 50 IGAA O=C(NC[C@@H]1OCCc2ccccc21)c1cn(C2CC2)cc(C(=O)NC2CCCCC2)c1=O 14993452 DLGJLTAZIAUQSD-QHCPKHFHSA-N 449.551 3.290 0 50 IGAA O=C(C1CCN([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1)N1CCCCC1 15321538 PKIODWNMVSOAFL-GOSISDBHSA-N 437.462 3.062 0 50 IGAA Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5cccnc5)nc34)CC2)cc1 68247372 UWTRKIJAGTTXNM-UHFFFAOYSA-N 446.540 3.393 0 50 IGAA C[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC[C@H]1C 229702883 PUODMZKEKAFXMY-QXSJWSMHSA-N 448.054 3.037 0 50 IGAA COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239119569 IVNLTUWZWTUYRR-OUTQORHZSA-N 442.515 3.298 0 50 IGAA COCCc1nsc(N2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)n1 444836896 RKFUYORYNCVRSG-GOSISDBHSA-N 429.546 3.116 0 50 IGAA CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 481638702 ITBHMQNCTCRYQG-HNNXBMFYSA-N 446.960 3.080 0 50 IGAA CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 747147406 ZZUIIYKEBMRCKQ-BUZMGHMJSA-N 434.536 3.465 0 50 IGAA COc1ccc(-c2n[nH]cc2CN2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857735306 CEPCALUXLKOYCA-RQTOMXEWSA-N 430.508 3.360 0 50 IGAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1875371524 DRVABWNNLJZOFX-ICSRJNTNSA-N 443.544 3.358 0 50 IGAA Cn1cc(-c2cc(F)ccc2NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cn1 2325741448 MYNMURCIJOCAFN-UHFFFAOYSA-N 436.896 3.284 0 50 IGAA O=C(c1ccc(CNc2ncnc3c2cnn3-c2ccccc2F)cc1)N1CCOCC1 2325776688 LQBUWNQKDHCWRO-UHFFFAOYSA-N 432.459 3.039 0 50 IGAA O=C(O)c1ccc(CS(=O)(=O)NC2(c3cc(F)cc(Br)c3)CC2)cc1 2325876012 IGKMNSGNVJUODO-UHFFFAOYSA-N 428.279 3.395 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(Cc2ccccc2)CC1 2874500 TTXCIEXACQPVTP-UHFFFAOYSA-N 430.570 3.105 0 50 IGAA COc1ccc(C(=O)N[C@H](C)c2nnc(SCCC(=O)Nc3ccccc3)n2C)cc1 2886124 RQHWUMIVFDCWNV-OAHLLOKOSA-N 439.541 3.436 0 50 IGAA COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1Cl 2985451 MMPLJBSIGOMASS-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA Cc1ccc(C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)c3ccsc3)C2)cc1 11974787 HUKMDFSGFXIUCE-UHFFFAOYSA-N 441.578 3.437 0 50 IGAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCc1ccc(Cl)cc1)C3 12167058 LWZWGGWDZFVLDV-QGZVFWFLSA-N 431.005 3.363 0 50 IGAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@@H](c1ccccn1)C(F)(F)F)C2 12508487 ITWVQXXQDLBJAN-VFZGTOFNSA-N 426.420 3.052 0 50 IGAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 20452237 NZPYEOOXAXUGRK-UHFFFAOYSA-N 443.473 3.214 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3coc4ccc(Cl)cc4c3=O)C2)CC1 20600862 FOUVDCKSASSKIO-SFHVURJKSA-N 433.936 3.185 0 50 IGAA CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1OC 65362325 BJJQGDYJZBZFFJ-KRWDZBQOSA-N 448.527 3.452 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3N(C)C)CC2)cc1C 170681661 YWHHSKYZXJMFBZ-UHFFFAOYSA-N 429.586 3.433 0 50 IGAA COC(=O)N1CCN(c2ccncc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 253428684 QXDIIWNHUIHFRW-HNNXBMFYSA-N 432.908 3.338 0 50 IGAA Cc1cccc([C@@H](CC(=O)O[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)NC(N)=O)c1 733436848 JGFNBEVHUQNDFG-QZTJIDSGSA-N 449.429 3.462 0 50 IGAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857713756 MMBIGRFYVFDGJZ-ROKPMTFOSA-N 432.455 3.130 0 50 IGAA Cn1c(CN2C(=O)CCN(C[C@H](Cc3ccccc3)C3CC3)C2=O)nc2ccccc2c1=O 1875329493 ZDTMNECCVXOAQA-FQEVSTJZSA-N 444.535 3.357 0 50 IGAA Cn1c(OCc2ccccc2Cl)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 1109588 YAJIUGZPOCPZBT-UHFFFAOYSA-N 445.306 3.368 0 50 IGAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CCCCC2)cc1 1131012 NBBXGRZTGHHJCR-QFIPXVFZSA-N 428.554 3.260 0 50 IGAA CCc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3cccs3)n2C)cc1 2859269 YYWZLCOGKQZPRV-UHFFFAOYSA-N 429.571 3.142 0 50 IGAA NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccc4cccnc24)CCO3)C1 12079394 JGKKHNPABOEEGR-JOCHJYFZSA-N 430.552 3.327 0 50 IGAA C[C@H](CCn1cccn1)NCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 12313788 SMYRWXBUZVPMHD-GOSISDBHSA-N 436.585 3.475 0 50 IGAA COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 19853903 DIXILQJKECWXSA-UHFFFAOYSA-N 443.338 3.103 0 50 IGAA COc1ccccc1OCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55212090 LSGDOQOEJKBRDJ-OAQYLSRUSA-N 427.520 3.026 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 100552471 FZAQNMOLWKREQE-WWLNLUSPSA-N 431.444 3.046 0 50 IGAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4Cl)ccn3n2)cc1 169775858 PRXLGBFDKMFRPR-UHFFFAOYSA-N 436.899 3.184 0 50 IGAA Cc1nc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1-c1ccccc1C(C)C 170601445 SPJMWKZMHKXNQA-SANMLTNESA-N 447.583 3.408 0 50 IGAA O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)CC1)c1ccccc1 239439044 ZJEXNVFTVWUFNY-OKNOJINPSA-N 433.504 3.024 0 50 IGAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 245247158 QSIVJBZKVOIPJZ-DBBLALLESA-N 438.867 3.036 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(C)cc6)[C@@H]45)[C@H]3C2=O)cc1 245254577 AKZGLKJMAMTSDA-UCTHVYFCSA-N 444.487 3.346 0 50 IGAA C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N[C@H]1CCCC[C@H]1C 247993985 OCJOCCXIGQRBEE-UWVAXJGDSA-N 436.574 3.101 0 50 IGAA CSCC[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 252458434 HTPFKPXBTIKAQO-KZNAEPCWSA-N 442.537 3.337 0 50 IGAA Cc1ccc(-c2nn3ccn(Cc4nc(Cc5cccc(C)c5)no4)c(=O)c3c2CO)cc1 263616604 JRKCUBVJYAQBSN-UHFFFAOYSA-N 441.491 3.294 0 50 IGAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 409415226 XJPWPPNBGMAUGL-IAGOWNOFSA-N 440.887 3.419 0 50 IGAA COC(=O)c1nn(-c2ccccc2C(C)C)c(I)c1C(=O)OC 2544924 YYLAKKYTXHIWAR-UHFFFAOYSA-N 428.226 3.174 0 50 IGAA CCCOc1c(Br)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC 8444013 HNKQHOBAHHRRBG-OAHLLOKOSA-N 427.295 3.438 0 50 IGAA Cc1ccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)N(CCN(C)C)C3=O)CC2)cc1 11787274 XPPQMWQNHDDLGN-VWLOTQADSA-N 442.604 3.136 0 50 IGAA COCc1c(C(=O)NCc2ccccc2)cnn1-c1nccc(-c2ccccc2OC)n1 11814460 FJIIGCYXWRSMOV-UHFFFAOYSA-N 429.480 3.414 0 50 IGAA CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1CN[C@H](C)COC 11841567 XHFXOCVUFBGJHH-CQSZACIVSA-N 430.530 3.306 0 50 IGAA COCCn1c(CN(C)Cc2nc3cccc(C)c3[nH]2)cnc1S(=O)(=O)CC(C)(C)C 11936480 XRYNHAWKONRKEL-UHFFFAOYSA-N 447.605 3.166 0 50 IGAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(c3ccccc3)CCCC2)cc1 12197273 UZGITUKQIHRPQX-DEOSSOPVSA-N 449.595 3.404 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 12282693 MQLIZBPDCSHQQD-INIZCTEOSA-N 436.434 3.298 0 50 IGAA CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1 12588187 NBFGIUPILSDUEP-UHFFFAOYSA-N 437.606 3.179 0 50 IGAA O=C(NC[C@H]1CCCO1)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14753374 IVRVLRVKLLZKTP-MIZPHKNDSA-N 439.531 3.198 0 50 IGAA COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4ccccn4)c3C)nc1-2 15005161 WQZRGQZIJGYOQP-UHFFFAOYSA-N 426.480 3.070 0 50 IGAA COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 17098844 YDSYHZIGQNPHIS-QWRGUYRKSA-N 434.495 3.454 0 50 IGAA Cc1cc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl 19363096 VTZCIHKDUMFUMN-IBGZPJMESA-N 432.948 3.243 0 50 IGAA O=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CCC1 55368976 XGODXFAODGTRJI-JOCHJYFZSA-N 441.522 3.484 0 50 IGAA CN(C)c1noc(C2CCN(C(=O)Nc3cccc(I)c3)CC2)n1 170618478 CRFGIZLDZYZKKY-UHFFFAOYSA-N 441.273 3.152 0 50 IGAA C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 241371271 MLYMOVNUUHOSHB-WVSSGHNYSA-N 440.588 3.075 0 50 IGAA CSc1ccc2c(C)cc(-n3nc(CCC(C)C)nc3CNS(C)(=O)=O)nc2c1 1875249098 GLHRSNNMFBYQNE-UHFFFAOYSA-N 433.603 3.484 0 50 IGAA CCO[C@H](C(=O)N(C)CC1(NC(=O)c2sc(-c3ncc[nH]3)nc2C)CC1)C1CCCC1 2325829150 ALCFTHSUJARJRB-INIZCTEOSA-N 445.589 3.158 0 50 IGAA Cn1c(=O)c2c(nc(SCc3ccccc3)n2Cc2ccccc2Cl)n(C)c1=O 625884 LARARUUQSJBBRI-UHFFFAOYSA-N 426.929 3.428 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@H]1c1ccccc1Cl 634265 UHMXRLDFZMJXCW-BXBHGGAKSA-N 444.965 3.432 0 50 IGAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 655898 JZZCHFQFWNKFSW-UHFFFAOYSA-N 435.549 3.231 0 50 IGAA CCn1nc(C)c(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C)C3)c1C 2782249 ICYTUQYSMDNQJR-ZDUSSCGKSA-N 430.574 3.431 0 50 IGAA CCN(CC)CC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12437858 JDDRHZMHGKMDCJ-VWLOTQADSA-N 427.633 3.215 0 50 IGAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CN(C)Cc4cccnc4)C3)C2)c1 12448381 XMALHBSQSRDNKY-VWLOTQADSA-N 440.563 3.176 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc(OC)nc2OC)C1 12757322 CGLZPUIGUAHBDS-HSZRJFAPSA-N 430.476 3.266 0 50 IGAA COc1ccc(/C=C/CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 14535229 ASBDUFSVGVLSNJ-HWKANZROSA-N 448.567 3.465 0 50 IGAA O=C(NCC1CC1)c1cn(Cc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O 14981975 JSKXVMRUMJUFHE-UHFFFAOYSA-N 436.556 3.274 0 50 IGAA O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1N1CCNCC1)c1ccc(Cl)cc1 19358919 IRCARNCHRGIKND-YADHBBJMSA-N 427.957 3.473 0 50 IGAA CC(C)Cn1c(CN(C)CCOc2ccccc2)cnc1S(=O)(=O)C[C@H]1CCCO1 20918797 LVCJDICRTYORJC-OAQYLSRUSA-N 435.590 3.003 0 50 IGAA Cc1cc(C)c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c(-n2cccn2)c1 39438332 JSLUZIRDBYYKIH-XMMPIXPASA-N 439.648 3.231 0 50 IGAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)cc1 55042533 LDXVUEQTKXIZSS-FQEVSTJZSA-N 433.474 3.363 0 50 IGAA CCCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2 230089042 PPXYOHXTTKWUHJ-FCHUYYIVSA-N 445.604 3.007 0 50 IGAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)C(=O)[C@H]1C=CC=CC1 239030880 CNFNVPVYNITYEO-GBPBQSTHSA-N 443.499 3.491 0 50 IGAA CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 239287339 CQAILSXGLKOREC-XAISMOLKSA-N 447.572 3.476 0 50 IGAA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCCN21 248343100 ZNIAEOAOTYSHDY-GSRZOBFVSA-N 435.911 3.388 0 50 IGAA O=C1[C@]2(Cl)[C@]3(Cl)[C@]4(Cl)C(=O)[C@@]5(Cl)[C@@](Cl)([C@@]14Cl)[C@@]2(Cl)[C@]53Cl 254608114 OPKVZCAUZQWGAJ-DIFVBRHUSA-N 435.732 3.013 0 50 IGAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 472007239 CSWOFNBFLCFAJR-AEFFLSMTSA-N 448.292 3.314 0 50 IGAA Cc1cc(Cl)nc(C(=O)N2CC3(CCN(C(=O)c4nc(C)n5ccccc45)CC3)C2)c1 1875383128 HWKHJALALSWXSI-UHFFFAOYSA-N 437.931 3.378 0 50 IGAA Cc1c(NC(=O)C(=O)NC2CCN(Cc3ccsc3)CC2)cnn1-c1ccccc1F 2325747550 ITXPDNKCOQVCIS-UHFFFAOYSA-N 441.532 3.101 0 50 IGAA O=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCC2(CC1)OCCO2 1060239 UFGLMHSAXDTWPS-UHFFFAOYSA-N 438.431 3.456 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 4918864 IMIYYZWNILVWSC-AEFFLSMTSA-N 429.590 3.323 0 50 IGAA C[C@@H](C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1)n1cncn1 12386267 AIRIZMBJRXEGTE-FQEVSTJZSA-N 437.588 3.339 0 50 IGAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cn2nc(Cl)ccc2=O)cc1 12755590 XIMHRPWUBIQRRF-QGZVFWFLSA-N 425.920 3.221 0 50 IGAA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1Cl)[C@@H]1C(=O)c3ccccc3C1=N2 13512045 VQLRJUHFEBTSPY-GJZGRUSLSA-N 440.286 3.470 0 50 IGAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(-c3cccc(Cl)c3)o1)CC2 14539179 ZGQHXTRMXBNRMW-UHFFFAOYSA-N 431.920 3.475 0 50 IGAA CCC[C@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 14889552 HSGKXJIZZHHFAS-GBXCKJPGSA-N 434.625 3.236 0 50 IGAA Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 19913648 QALULPBPXAQUPC-SFHVURJKSA-N 446.507 3.342 0 50 IGAA COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)cc1 20249623 RFFTZHGAHNSWEZ-UHFFFAOYSA-N 427.885 3.026 0 50 IGAA O=C(CCC1CCCC1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 200508722 OKJGIJDLEOBBEE-UHFFFAOYSA-N 446.551 3.497 0 50 IGAA COc1ccccc1N1CCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 261451075 OXGGVAVIDHARPI-SIKLNZKXSA-N 434.540 3.009 0 50 IGAA COC(=O)c1c(OCCc2cccs2)cc(=O)n2c1CCN(Cc1ccccc1)CC2 299765819 BTXGOKVZLWYCQD-UHFFFAOYSA-N 438.549 3.376 0 50 IGAA COc1cc(CN2CC[C@H](NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)C2)cc(OC)c1 446598979 IHVHHOKWUXHPJP-SFHVURJKSA-N 449.555 3.176 0 50 IGAA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 466538421 GWSQOMAFEBKAQG-RTWAWAEBSA-N 441.503 3.137 0 50 IGAA O=S(=O)(NCc1noc(C2CCCC2)n1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506420717 AUCJUVGLMUCLGF-UHFFFAOYSA-N 431.396 3.208 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CCc3c(Cl)cccc3C2)C1 1857687663 YRBKFUWNWRZRRL-TYBLODHISA-N 446.035 3.438 0 50 IGAA CC[C@@H]1CC[C@H](C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3cccc4c3ccn4C)CC2)O1 2332238848 OBHRYVTZPUZBLX-KKDDFNCRSA-N 445.585 3.365 0 50 IGAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(OC)c1OC 790807 HGFVTPVPQHUFFE-UHFFFAOYSA-N 443.481 3.161 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1Cl 803365 KAEUTUFSXLGKLA-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 1117670 NRMRHZHYCWAANQ-NSHDSACASA-N 445.310 3.390 0 50 IGAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 1152852 WPGMPULTDOYSSS-UHFFFAOYSA-N 429.325 3.048 0 50 IGAA CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cccc(C)c4n3)c2)CC1 4038319 DSLSNOINQZMQBT-UHFFFAOYSA-N 427.526 3.274 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1Cl 6237873 GRMUCPOUSJVOQT-OBHPCNEJSA-N 430.938 3.123 0 50 IGAA O=C(Nc1ccnn1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@H]1CCOC1 12592326 KZRHCIXTYXXLJQ-PQLNIDLTSA-N 426.561 3.238 0 50 IGAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(N[C@H](C)CC(C)(C)O)cnc21 14535942 SKYJWCSNKSTCQF-OAHLLOKOSA-N 448.564 3.415 0 50 IGAA O=C(CCCc1ccccc1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 14879505 NPJGLSRTIQDNEZ-QHCPKHFHSA-N 446.595 3.382 0 50 IGAA O=C(c1ccoc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 15007219 XYGOAFXIHKEWNC-KURNWNDPSA-N 433.552 3.380 0 50 IGAA O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc(Br)c1 19757345 SJVXFJDZGPSFEB-SFHVURJKSA-N 432.293 3.042 0 50 IGAA O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-c2ccsc2)nc1N1CCOCC1 19758889 PAYAIMHDBCUSGY-KRWDZBQOSA-N 437.521 3.217 0 50 IGAA COc1ccc(CN2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)c(C)c1C 20271834 KURJXCDLEKQOSX-FQEVSTJZSA-N 426.586 3.386 0 50 IGAA COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 169617975 SFARDHVRAWOLKM-YPAWHYETSA-N 444.462 3.020 0 50 IGAA O=C(CCC1CCCCC1)N1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1 206674543 AQZZGDPFMPFGPV-DQEYMECFSA-N 427.633 3.169 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]1[C@@H]1CCCN12 247854315 CAJNLWNSIOWMER-IBSUQTTCSA-N 449.938 3.494 0 50 IGAA O=C(CCN1CCC[C@H]1c1ncc(-c2ccc(F)cc2)[nH]1)N1CCN(c2ccccn2)CC1 440756986 RXIAUPGOAOBROW-QFIPXVFZSA-N 448.546 3.487 0 50 IGAA CN(C[C@@H]1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)C(=O)OC(C)(C)C 729477923 TXDKIDFVWRSYJS-AWEZNQCLSA-N 440.470 3.370 0 50 IGAA NC(=O)C[C@@H](NC(=O)c1[nH]c2ccccc2c1I)c1ccccc1 2325851001 MTEORUJJEIXOJO-CQSZACIVSA-N 433.249 3.119 0 50 IGAA Cc1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 1018822 GJQFLAVBJQTPQA-UHFFFAOYSA-N 435.509 3.189 0 50 IGAA CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 2856212 RQGQPOXFVBAUAG-UHFFFAOYSA-N 427.511 3.289 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@H](C)C2)c1 2982283 VVFNYBXMVWVGLF-LJQANCHMSA-N 436.599 3.004 0 50 IGAA O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCN2CCC[C@@H]2C1 4099262 UFQCGIWAPNSGPX-OAHLLOKOSA-N 441.457 3.434 0 50 IGAA CC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 12148721 PCJUFVRSGWMOOT-AREMUKBSSA-N 433.552 3.016 0 50 IGAA COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C(C)C)CC4)c3C3CC3)n2)c1 14998444 GTRHJZQPNANFPT-UHFFFAOYSA-N 446.555 3.382 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2CCO)CC1 22851480 PGRHEVVSCBBTEV-QHCPKHFHSA-N 446.039 3.472 0 50 IGAA COc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(C)=O)CCC4)CC2=O)c(OC)c1 170610476 RMSOTFVRCRFRSL-CYBMUJFWSA-N 428.510 3.448 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)CC2)cc1 247901508 FUJPUWGQPGSJGW-DENWASCKSA-N 432.586 3.037 0 50 IGAA O=C(Nc1cccnc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263615341 BVSFUTBYJQFPOV-NRFANRHFSA-N 449.486 3.180 0 50 IGAA CCOc1ccc2nc(N3CCC(N4CCC[C@@H](c5nncn5C)C4)CC3)nc(C)c2c1 299787163 SAQOBONYLMBLSL-GOSISDBHSA-N 435.576 3.314 0 50 IGAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCC[C@H](OC(F)F)C1 1875258462 KVGVYWBJSZSJDV-UONOGXRCSA-N 437.365 3.104 0 50 IGAA COc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cnc(C(C)C)s3)[C@@H](C)C2)cc1 2325827967 VIMPITRSNCFYGM-HOTGVXAUSA-N 431.558 3.416 0 50 IGAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 2856990 USLYJNGODSMJJP-UHFFFAOYSA-N 438.549 3.245 0 50 IGAA COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc1ccc(Br)cc1 4644048 BLYCPIMEFYCRIC-UHFFFAOYSA-N 437.334 3.336 0 50 IGAA CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 8856151 ZLHIGOSGHWFMJF-OAQYLSRUSA-N 436.508 3.134 0 50 IGAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc(Br)cc1 9348946 DGKJUZBUIDERQH-UHFFFAOYSA-N 432.299 3.431 0 50 IGAA COc1cccc(CN2CCC3(CC[C@@H](CNC(=O)c4csc(C)n4)O3)CC2)c1OC 11814739 QSRFPTQOTOHROV-SFHVURJKSA-N 445.585 3.412 0 50 IGAA O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3ccc(-c4cccc(Cl)c4)o3)C2)nn1 12193288 BVPFALJTDFIYJA-GOSISDBHSA-N 443.935 3.141 0 50 IGAA O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccccn3)CC2)N1Cc1ccccc1 14747613 ZVUIUPFVOPNVIZ-UHFFFAOYSA-N 441.535 3.476 0 50 IGAA COCc1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)o1 14981909 VNYYYIXDJINBND-SFHVURJKSA-N 441.505 3.230 0 50 IGAA COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1 14994120 HYROXLPAZRQKBT-QFIPXVFZSA-N 448.571 3.257 0 50 IGAA COc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1 15835969 LOYZRRYXINIECO-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA CC[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cnn3C)c2C(=O)N2CCOCC2)C1 17100998 MXZCFGPARWLYJD-LBPRGKRZSA-N 436.965 3.375 0 50 IGAA CN(CCc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55109405 FZWJKCPHXAEOSV-FQEVSTJZSA-N 433.474 3.097 0 50 IGAA CCn1c(CN2CCC[C@@H]3CCCC[C@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 230011796 GAZPYVLUNCUTHY-GHTZIAJQSA-N 446.617 3.232 0 50 IGAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239025293 BJBDAEZKFMEYKA-IMRLGUSMSA-N 448.302 3.161 0 50 IGAA CN1CCC2(CC1)C[C@H](NC(=O)c1cnn(CCO)c1-c1ccccc1)c1ccccc1O2 474787928 OGOXPZBCZJIIAW-QFIPXVFZSA-N 446.551 3.260 0 50 IGAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760604259 TXWAISWKKRHPFL-JPYJTQIMSA-N 446.551 3.001 0 50 IGAA O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)[C@@H](O)c1cc(Cl)cc(Cl)c1 769657164 JRXJDEVXCOIQAT-KBPBESRZSA-N 430.654 3.238 0 50 IGAA O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](O)c1cccc(C(F)(F)F)c1 797228521 QUXUYVPKJKLYRC-GDBMZVCRSA-N 437.336 3.314 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@H](Cn3ccnc3)C2)ccc1F 1704303666 NIIYYEUMZSFZEU-HNNXBMFYSA-N 427.480 3.304 0 50 IGAA CCc1ccc([C@@H](NC(=O)C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccccc32)C(C)C)cc1 1875253416 JGVSQKPKXAEDEM-CTNGQTDRSA-N 428.554 3.049 0 50 IGAA CCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 835355 OPPCANOYYBCQNP-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 11813713 CHAAMFMCRCFWLM-UHFFFAOYSA-N 446.551 3.302 0 50 IGAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1 14530846 FJSAEWALVSXWNK-SNRMKQJTSA-N 432.952 3.208 0 50 IGAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(Cc1cnn(-c3ccccc3)c1)CC2 14536060 QBGMXONIJWDCKC-UHFFFAOYSA-N 446.477 3.281 0 50 IGAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccsc1)C2 14745905 PNLLKDCNCRJYKL-UHFFFAOYSA-N 449.580 3.125 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)NCCc2ccccc2)C1)N1CCN(c2ccccn2)CC1 14963119 ZJOMUWZWUNBLEW-HSZRJFAPSA-N 449.599 3.175 0 50 IGAA COCCCn1c(CN(C)Cc2csc(C)n2)cnc1S(=O)(=O)C1CCCC1 15078635 RFKFCPFLNFWKCO-UHFFFAOYSA-N 426.608 3.033 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 101938625 JBEVTSXUNAAXKV-TZRRMPRUSA-N 427.504 3.311 0 50 IGAA NC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCCCC1 170626427 IBRHGNMBQMHMHB-UHFFFAOYSA-N 426.492 3.004 0 50 IGAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(Cl)c1 239174457 QAZYDBCLYXSKPB-JOJHMBOZSA-N 438.911 3.411 0 50 IGAA O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446084293 UBRHLRKENBLFQM-GGEUNONFSA-N 441.531 3.151 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1 776204144 QLYDSSSHQHVFIO-OLMNPRSZSA-N 427.636 3.371 0 50 IGAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)CC1 1506399446 GIDHKFSDMSFNGW-UHFFFAOYSA-N 435.503 3.355 0 50 IGAA COc1ccc(CN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)cc1OC 1123527 LIEJGJNBRXOLEQ-MRXNPFEDSA-N 447.944 3.314 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)cc1 1130845 VODAFGGKEKEJSX-KRWDZBQOSA-N 439.331 3.250 0 50 IGAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O 2420016 MOBJKYILRNQICV-UHFFFAOYSA-N 425.492 3.247 0 50 IGAA biogenic Cc1c(C(=O)NCc2cccc(F)c2)sc2ncnc(NCCCN3CCCC3=O)c12 11880691 IKABSFVEGQUBRX-UHFFFAOYSA-N 441.532 3.493 0 50 IGAA CCN1C(=O)C[C@](CC(=O)N(CC2CCC2)C[C@@H]2CCCO2)(c2ccccc2C)C1=O 12056984 IUTKRWKAYUKISS-NBGIEHNGSA-N 426.557 3.209 0 50 IGAA COC(=O)CCNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1S[C@H](c1ccccn1)C2 12151894 VSFCWPQTQGCMDS-NRFANRHFSA-N 449.532 3.223 0 50 IGAA Cc1nc2ncccn2c1C(=O)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 12201255 PWMOZWZTZHSKAY-OAQYLSRUSA-N 425.577 3.314 0 50 IGAA COc1cccc(OC)c1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12571668 AUIFLMOOEOOTLZ-UHFFFAOYSA-N 438.524 3.414 0 50 IGAA CC(C)CN1C[C@H](OCc2cccnc2)CN(Cc2cccn2-c2ccccn2)CC1=O 14538478 HNUWKYQJILJSRD-HSZRJFAPSA-N 433.556 3.153 0 50 IGAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCn1ccc2ccccc21 14887631 GBSVMHPAQSTBPO-VWLOTQADSA-N 433.508 3.158 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(C(=O)Cc3c(F)cc(F)cc3F)CC2)O1)c1ccccn1 14986035 BVWPXWVJXMLRRQ-MRXNPFEDSA-N 447.457 3.012 0 50 IGAA COC(=O)c1ccccc1C(=O)N1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 15008016 CNUXTBRNEQDNNC-UHFFFAOYSA-N 434.414 3.367 0 50 IGAA COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N23)c(OC)c1OC 22018315 VQFDWMBORORTDE-APWZRJJASA-N 437.521 3.267 0 50 IGAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCc3ccc(Cl)cc3)c2)CC1 23358893 NZKQWHSRORVFGH-HSZRJFAPSA-N 432.008 3.050 0 50 IGAA C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)C1=O 225659170 JXOWIOSRGUPLSW-HKUYNNGSSA-N 433.508 3.142 0 50 IGAA CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 229750750 FLXKVZPYINETBA-BZSNNMDCSA-N 434.556 3.455 0 50 IGAA Cc1[nH]c2ccccc2c1CN1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1 248032605 MIEKCERQGUEXMF-SVBPBHIXSA-N 432.612 3.272 0 50 IGAA COc1ccc(OC(C)C)c(NC(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 253392704 VWEPODHDDLSWHY-MJGOQNOKSA-N 435.521 3.334 0 50 IGAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 257349657 PXQRJZNDFRAFTF-JGRBVGLISA-N 448.556 3.003 0 50 IGAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1S(=O)(=O)Cc1ccccc1 828248065 KWHMRUCBHRWFKI-IBGZPJMESA-N 440.565 3.181 0 50 IGAA C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(C)C(=O)[C@@H]21)c1nc2cc(Cl)c(Cl)cc2[nH]1 2325823854 GIEHTQREGPHRTK-KIYSKGSNSA-N 435.311 3.100 0 50 IGAA COc1cc(Cl)c(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1OC 12038078 DBBWVVJOFQZAOU-GOSISDBHSA-N 449.983 3.230 0 50 IGAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)s1 12318904 ASTJKBHLHBOARQ-IBGZPJMESA-N 428.602 3.417 0 50 IGAA O=C(c1nc2ccc(Cl)cn2c1CN1CCC[C@H](CO)C1)N1CCc2ccccc2C1 12446402 HZDGNSRFXDYELZ-KRWDZBQOSA-N 438.959 3.391 0 50 IGAA O=C1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CN1CCc1c[nH]c2ccc(F)cc12 16650662 HSUMHHDWAOIGHD-LJQANCHMSA-N 434.515 3.047 0 50 IGAA O=C(Nc1cc(F)ccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 242389242 ZVLDDNJIHUUZGM-OAHLLOKOSA-N 433.288 3.161 0 50 IGAA Cc1c(Cl)cccc1N1CCCN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CC1 1875254189 WAAHPJVSHLHTHL-NRFANRHFSA-N 434.989 3.343 0 50 IGAA C/C(Cl)=C/CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 6301153 MYBJCODJQYZTEA-FLIBITNWSA-N 425.341 3.370 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CSc2nnc(CC)o2)C1 11709490 SSDYNEIMCUYPSF-QFIPXVFZSA-N 431.558 3.447 0 50 IGAA O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(Cl)c1 18323076 AHLSSTFXVZGVKN-KRWDZBQOSA-N 426.929 3.404 0 50 IGAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 65362783 UHMWCBGLDZYRRO-GOSISDBHSA-N 448.527 3.069 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 239165034 NIWXLWVLEUZYGR-FDJUTITPSA-N 435.705 3.094 0 50 IGAA Cc1cc(Br)ccc1NCC(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 253418128 GKZUGCNNCPBRJP-SFHVURJKSA-N 446.345 3.405 0 50 IGAA COc1ccccc1N1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 261451072 OXGGVAVIDHARPI-KNQAVFIVSA-N 434.540 3.009 0 50 IGAA O=C(NCCc1ccc2c(c1)CCO2)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 480065968 WUUFQZZLFAOMJC-SFHVURJKSA-N 431.418 3.390 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3nc4ccc(F)cc4[nH]3)CCSCC2)o1 1776111186 FKULOPLUTCWKSM-UHFFFAOYSA-N 445.516 3.183 0 50 IGAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 942346 LHFBRNQJNLPNHZ-HXUWFJFHSA-N 428.444 3.304 0 50 IGAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)c(OC)cc1OC 1133129 CWQNOEVLYLTPKP-INIZCTEOSA-N 442.379 3.128 0 50 IGAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(I)c1 1135369 AFOQKEVIJWGEDD-UHFFFAOYSA-N 436.249 3.016 0 50 IGAA CCc1ccc(CN(C)Cc2cc(OC)ccc2OC[C@@H](O)CN2CCC(O)CC2)cc1 11705658 HTBNOURCSUTMEA-DEOSSOPVSA-N 442.600 3.086 0 50 IGAA Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C2=NN(C)C(=O)CC2)CC3)cc1 12030106 KXBDAENRUNYJEJ-UHFFFAOYSA-N 432.524 3.059 0 50 IGAA CCc1c(C(=O)NCCc2ccccc2OC)c(=O)cc(C)n1CCN1CCCCC1 12053256 NGCKUCLELORDTA-UHFFFAOYSA-N 425.573 3.186 0 50 IGAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 12710168 TUQAAGQMKXLTKZ-AWEZNQCLSA-N 437.452 3.389 0 50 IGAA Cc1nccn1CCC(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14744816 MOSCPAOFLWNQIK-HSZRJFAPSA-N 438.572 3.171 0 50 IGAA CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N(C)CCc2ccccn2)c1 14986565 HNMPGEAHRWBBCP-UHFFFAOYSA-N 438.572 3.277 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(O[C@@H](C)C(=O)OCC)cc1 16361882 DHLBDASZBHUOFY-YCRPNKLZSA-N 438.480 3.345 0 50 IGAA CC(C)Oc1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc1CO 22925848 VCUFSWWPZNNJBT-VWLOTQADSA-N 426.601 3.468 0 50 IGAA COC(=O)CC[C@H]1CN(Cc2ccc(OC)c3ccccc23)CC[C@H]1N1CCN(C)CC1 23358732 LQHDGQPSPVWSEL-XUZZJYLKSA-N 439.600 3.240 0 50 IGAA O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc(Br)cc5)[C@@H]34)[C@H]2C(=O)N1c1ccccn1 238899736 HDCGBPKOWHLDLJ-USQBUYPNSA-N 438.285 3.224 0 50 IGAA CC(C)NC(=O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)c1ccccc1 252517588 MDHFYMUDWKBAHW-DNVFCKCGSA-N 437.565 3.417 0 50 IGAA CCOC(=O)c1cn(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2cc(F)c(OC)cc2c1=O 253433218 UDODMXWWCWHXNY-YHUYYLMFSA-N 444.503 3.267 0 50 IGAA COc1ccc([C@]2(CC(=O)NCc3ccccc3F)CC(=O)N(C3CCCC3)C2=O)cc1 299801628 XPIRXZQGXNUOKX-VWLOTQADSA-N 438.499 3.480 0 50 IGAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)c3nnc(O)c4ccccc34)CC2)n1 1506411709 UMHPINVBYKRVHL-UHFFFAOYSA-N 446.433 3.230 0 50 IGAA Cn1cc(S(=O)(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)cn1 1857703344 ZXTOYUDVOQACLB-OAQYLSRUSA-N 446.617 3.071 0 50 IGAA CCc1nn(C)c(C(=O)N[C@H]2CN(C(=O)CO[C@@H]3CCCC[C@H]3CC)C[C@H]2C)c1Cl 2325829465 KPMRBFNSSJPNSF-XYVMCAHJSA-N 439.000 3.198 0 50 IGAA O=C(C[C@@H]1C[C@H]2C=C[C@H]1C2)N[C@H](Cc1cc(I)ccc1F)C(=O)O 2325876171 MBWXLDZCRKJXBD-CENBSLRLSA-N 443.256 3.145 0 50 IGAA CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1C 1112728 UVKXMEGJGZIGDY-UHFFFAOYSA-N 439.541 3.276 0 50 IGAA Cc1cc2nc(SCCOC(=O)CN3C(=O)c4ccccc4C3=O)nc(C)c2cc1C 2330728 UISZMFBOPMHKEP-UHFFFAOYSA-N 435.505 3.487 0 50 IGAA Cc1ccc(N2CCN(C(=O)Cn3ncc4c([nH]c5ccc(C)cc54)c3=O)CC2)c(C)c1 8595696 FHGNYBLFBVPGSF-UHFFFAOYSA-N 429.524 3.152 0 50 IGAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8867335 RJZQFDHLTNDMGK-UHFFFAOYSA-N 432.586 3.044 0 50 IGAA C[C@]1(C2CCN(C(=O)Cc3ccsc3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O 11787468 IEQLCTMXTKVVQV-XMMPIXPASA-N 437.565 3.007 0 50 IGAA O=C(NCc1ccncn1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12053002 BXWQANPPLCHANT-UHFFFAOYSA-N 437.507 3.415 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(C[C@H]1CC=CCC1)CC2 12099373 IFIJDAUNYOLVQH-FQEVSTJZSA-N 447.579 3.270 0 50 IGAA COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C 12202276 KNAQVVTZRTZOGK-RUZDIDTESA-N 447.583 3.463 0 50 IGAA COc1ccc(OC)c(CC(=O)N2C[C@@H]3C[C@H]2C(=O)N3c2cc(C)c(Cl)cc2OC)c1 12279664 MBXSMYLCMCKGMP-KXBFYZLASA-N 444.915 3.233 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCc2cc(F)ccc2C)c1=O 12331404 QUDPIESCAMPKFG-UHFFFAOYSA-N 439.487 3.397 0 50 IGAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)c1 12753613 RNJXJXNMJZENOO-FQEVSTJZSA-N 440.588 3.313 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1cccc(Cl)c1)C2 14748572 WXILDINJHPNUPJ-FQEVSTJZSA-N 445.007 3.355 0 50 IGAA COCCn1c(CN(C)C[C@H]2CCCCO2)cnc1S(=O)(=O)C1CCCCCC1 55035806 LMJWWAWLKMRMNJ-LJQANCHMSA-N 427.611 3.027 0 50 IGAA Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)cc1 55042532 LDXVUEQTKXIZSS-HXUWFJFHSA-N 433.474 3.363 0 50 IGAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nn2)n1 65364532 XIBFOOKBMBHHHW-UHFFFAOYSA-N 429.887 3.426 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1 136148336 CVKSAWFNCUVBLV-ONJIFJTESA-N 427.504 3.440 0 50 IGAA biogenic COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1O 137547982 LEBSQAFYDAPXJL-YTFSRNRJSA-N 430.460 3.448 0 50 IGAA COc1cccc(CC(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)c1 169777529 LWERDDSEECRABT-UHFFFAOYSA-N 444.495 3.410 0 50 IGAA COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2onc4c2CCCC4)C3)nc1 426362122 ZTZYMLNIELRXFZ-INIZCTEOSA-N 433.464 3.136 0 50 IGAA Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 478603675 NPMMSWFKCXLKQM-RZUBCFFCSA-N 445.523 3.316 0 50 IGAA Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)Nc2cnccn2)CC1 1875252390 KGXGSTAONCAKPG-UHFFFAOYSA-N 432.315 3.434 0 50 IGAA NC[C@H]1CN(C(=O)CCOc2ccc(Br)cc2F)CC[C@@H]1C(F)(F)F 2325862976 PCLNRSJNGUPLSP-JQWIXIFHSA-N 427.236 3.343 0 50 IGAA CC(C)c1ncsc1C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 2332238425 UNHYMTLOWVULOJ-LBGCWXQNSA-N 441.619 3.167 0 50 IGAA COc1ccc(CCNC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)cc1OC 814964 TZSJQUYGTIRXOF-LJQANCHMSA-N 433.302 3.318 0 50 IGAA COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 869478 TUQFVMZBWPXNBB-UHFFFAOYSA-N 446.569 3.466 0 50 IGAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC1(c3ccccc3)CCOCC1)C2 14536844 REJKFDLTPRCULV-NRFANRHFSA-N 436.600 3.242 0 50 IGAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cc(C)cs3)cc(-n3cnnn3)c2)C1 14989928 MRVBSPPTKUMTHG-HNNXBMFYSA-N 425.514 3.115 0 50 IGAA CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 16192621 ODWFQUUDPOCKJH-UHFFFAOYSA-N 442.343 3.146 0 50 IGAA Cc1cc(C)n(CCN(C)Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)n1 19223987 VCBBMFLFIQFGME-UHFFFAOYSA-N 443.617 3.306 0 50 IGAA Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C 19836867 BUNVLXAHXPTXQT-UHFFFAOYSA-N 435.547 3.373 0 50 IGAA Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)Cn4cncn4)c(C)o3)c2)s1 19838643 KUPLZDXYKCHJIQ-UHFFFAOYSA-N 436.497 3.180 0 50 IGAA NC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 100721952 ALNWINSKWPOMMG-CYBMUJFWSA-N 425.659 3.090 0 50 IGAA COC(=O)CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 117656869 QAXAKCLLPKTPMG-FQEVSTJZSA-N 441.915 3.232 0 50 IGAA O=C(Cc1ccc(Cl)cc1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169776621 NBNWXEUNDDOUJY-UHFFFAOYSA-N 428.895 3.361 0 50 IGAA O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 439232645 CASFYKBUWRCHLQ-RBJSKKJNSA-N 443.591 3.404 0 50 IGAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc1 468479186 MSUXVYSZGPPZBL-QGZVFWFLSA-N 433.508 3.104 0 50 IGAA O=C(N[C@H](CNC(=O)[C@@H]1CCCc2nc[nH]c21)c1ccc2ccccc2c1)c1cccnn1 1875361541 VBIFUDAUCKRNBV-DENIHFKCSA-N 440.507 3.060 0 50 IGAA COc1ccc([C@@H](CC(=O)NCCCc2ccco2)c2c(O)nc3ccccn3c2=O)cc1 2049511873 BSRHTJAVDRGUFV-HXUWFJFHSA-N 447.491 3.273 0 50 IGAA O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(Cl)cc1 729868 GEGAAKBDWPKDFI-UHFFFAOYSA-N 433.869 3.451 0 50 IGAA CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2Cl)NC(=O)c2ccccc2)CC1 9339728 OWAPEDZOTIZZNT-SILNSSARSA-N 441.915 3.412 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(CCOC)C2=O)cc1 12036237 RIQXLCXDWNUVMM-VWLOTQADSA-N 440.515 3.080 0 50 IGAA COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1 12279521 HVIZWIBNFOQZGE-QFIPXVFZSA-N 448.571 3.257 0 50 IGAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@H](O)CN(C)C1CCCCC1 12572500 HDFJAYVBABHPPC-HXUWFJFHSA-N 432.565 3.023 0 50 IGAA CCCC(=O)N1CCc2c(c(C(=O)NCCCc3ccccc3)nn2Cc2ccncc2)C1 14752312 IOGRXHXKQRTYMC-UHFFFAOYSA-N 445.567 3.374 0 50 IGAA CN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2-c2ccco2)CC1 14955762 JLQKMJULZULWAD-UHFFFAOYSA-N 440.507 3.076 0 50 IGAA O=S(=O)(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccccc1 56946341 QNVNPRSAXBXPKI-OAQYLSRUSA-N 429.517 3.261 0 50 IGAA COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)cc(OC)c1OC 169780562 QYWMFOZXWNHRQS-HXUWFJFHSA-N 425.485 3.367 0 50 IGAA O=C(Nc1cc(F)ccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 242389241 ZVLDDNJIHUUZGM-HNNXBMFYSA-N 433.288 3.161 0 50 IGAA O=C(c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccc(F)cc2)CC1 263617790 PPVPCGXXNHAXDJ-FQEVSTJZSA-N 441.894 3.305 0 50 IGAA Cc1ccc(Cl)cc1NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O 263618225 RUSYJWLZUZWSLG-UHFFFAOYSA-N 440.862 3.395 0 50 IGAA CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1 299787856 YFJVTHOUHCCGPT-OAQYLSRUSA-N 442.007 3.292 0 50 IGAA NC(=O)[C@@H](OC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(F)cc1 915482556 BEPKYDGCAFOREL-UNMCSNQZSA-N 436.439 3.162 0 50 IGAA COc1ccc(CCNC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)cc1OC 1848442723 HCHZEVQOJLMGIU-UHFFFAOYSA-N 447.553 3.185 0 50 IGAA Cc1ccn2c(C(=O)N3CCC4(CC3)OCCc3sc(C(=O)O)cc34)c(C)nc2c1 1857698976 CRKPBJMDJNRIIL-UHFFFAOYSA-N 425.510 3.415 0 50 IGAA COc1ccc(OC)c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 1146581 ARGOHUSXPDDASR-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA COC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccc(F)cc3)c(=O)[nH]2)cc1 4619537 GCOOAQWDJSXHBE-UHFFFAOYSA-N 441.484 3.326 0 50 IGAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1 11839700 NVBSXEPCZJTINK-KRWDZBQOSA-N 435.911 3.270 0 50 IGAA O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 13948168 NCABCLDFEXIEBF-UHFFFAOYSA-N 431.467 3.023 0 50 IGAA COC(=O)c1cccc(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)c1 14137140 WGKVRHSICUXDHQ-UHFFFAOYSA-N 428.470 3.006 0 50 IGAA Cc1c(C(=O)N2CC[C@H](N(C)C)C2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 15072918 GEDSETPNVXUJFE-HNNXBMFYSA-N 439.541 3.117 0 50 IGAA CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 15722302 SUTRDULVNIPNLW-SFHVURJKSA-N 445.516 3.240 0 50 IGAA in-vitro Cc1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1 22184930 YKRUSBKZXPVDSR-LJQANCHMSA-N 443.341 3.373 0 50 IGAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1cnc3ccccc3c1)CC2 299784215 WWZAYDRWKSSUOT-LJQANCHMSA-N 429.524 3.481 0 50 IGAA O=C(NC[C@H]1CC2(CCOCC2)CN1C(=O)c1cnc2ccccc2c1)c1ccc(F)nc1 1875389592 ULVJVUFWOWLAJH-HXUWFJFHSA-N 448.498 3.210 0 50 IGAA Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(=O)n(-c2ccccc2)n1C 869785 LUMYZSXXCOQTEA-UHFFFAOYSA-N 433.434 3.217 0 50 IGAA COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1156438 KWRKONNUBANHEL-UHFFFAOYSA-N 438.933 3.397 0 50 IGAA COCCCNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 2668428 OIQQVGHODJYKJR-KRWDZBQOSA-N 430.526 3.172 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccccc3OC)CC2)NC(=O)N(Cc2ccco2)C1=O 11788480 HNLMAMYXLJXBDY-XMMPIXPASA-N 439.512 3.431 0 50 IGAA Cc1cc(=O)c(C(=O)NCCc2ccccn2)c(CCc2ccccc2)n1C[C@@H]1CCCO1 11910939 UVYBEXNXKPIFRP-QHCPKHFHSA-N 445.563 3.488 0 50 IGAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)/C=C/c2cccnc2)O3)cc1 12034268 SDLDSGBOBUZGNJ-XOGVDACHSA-N 434.517 3.285 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](CCC(=O)NCc2ccc(C)o2)C1 12054274 KPHIJAATFGIRCK-GOSISDBHSA-N 434.558 3.402 0 50 IGAA CCOc1ccc(-n2c(-c3ccccc3)c(CC)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12413155 BVRVAZXXFAULBQ-UHFFFAOYSA-N 443.507 3.304 0 50 IGAA COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)CN1CCCCCCC1 12432174 IPPWDRCSJAXJLS-JOCHJYFZSA-N 430.593 3.067 0 50 IGAA Cc1noc(C)c1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14749224 JDDBQGIXRVMQLK-NRFANRHFSA-N 425.529 3.494 0 50 IGAA CCOC(=O)N1CCC(N2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)CC1 20784700 FPDDEYIWFVGLNV-OAQYLSRUSA-N 433.593 3.263 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 248162842 PWKJWSNJXRSQCX-SBFWRKJZSA-N 444.531 3.490 0 50 IGAA COc1cc(C[C@]2(CCC(=O)N(C)Cc3nc4ccccc4[nH]3)CCC(=O)N2)ccc1F 299772401 WCIBZWGYWMQXCK-XMMPIXPASA-N 438.503 3.341 0 50 IGAA C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cnc(N2CCOCC2)c(Br)c1 467430195 PCGYWCZXTLYSFK-OXJNMPFZSA-N 446.393 3.398 0 50 IGAA CCOCCOc1c(Cl)cccc1NC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 488350422 CXFXGZGDPVZPEM-QGARXBGZSA-N 432.948 3.386 0 50 IGAA O=C(Cn1cc(C2CC2)nn1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1319640261 HOARZXRFWSYVIO-UHFFFAOYSA-N 437.494 3.368 0 50 IGAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCC(Cc2ccc(O)nc2)CC1 1857739941 AGBPLCHEJBTNPB-QGZVFWFLSA-N 436.537 3.231 0 50 IGAA CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 815461 QSXHIMNBYPHKCA-UHFFFAOYSA-N 439.497 3.124 0 50 IGAA O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc3c4ccccc4ncn3n2)CC1 2808045 YECSYFIWDGHDQD-UHFFFAOYSA-N 427.917 3.499 0 50 IGAA CCCc1cc(C(=O)NC[C@@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc3O2)no1 11972231 DJEYEMFPLNYZBI-IBGZPJMESA-N 440.521 3.431 0 50 IGAA COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 13674386 HGFKRHFQLXHDMT-UHFFFAOYSA-N 430.526 3.129 0 50 IGAA CC(C)CN1C[C@@H](C(=O)NC[C@H]2CCCO2)C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14747729 XWPMPUABPKFBQV-QZNHQXDQSA-N 427.589 3.003 0 50 IGAA COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 16184029 UDTVZUDRWLAGNM-UHFFFAOYSA-N 428.485 3.212 0 50 IGAA CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 23353852 GXKBMVMJOKHANS-NRFANRHFSA-N 439.604 3.186 0 50 IGAA Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 760473339 XFAKZKANWPAGPO-HSZRJFAPSA-N 444.495 3.405 0 50 IGAA CSCC[C@H](C(=O)NCCn1ccc2ccccc21)n1c(O)nc2ccccc2c1=O 888089418 AZLNEMHUGLKTMR-HXUWFJFHSA-N 436.537 3.167 0 50 IGAA C[C@H]1Oc2ccc(NC(=O)c3cccc(OCC(=O)N4CCCCC4)c3)cc2N(C)C1=O 1506400031 SMWCZOIQIIWKEH-MRXNPFEDSA-N 437.496 3.074 0 50 IGAA Cc1cc(-c2cc(S(=O)(=O)NCc3ccc(N4CCCC4=O)cc3)c(C)s2)n[nH]1 1506417532 MYFAPIBGJDODSK-UHFFFAOYSA-N 430.555 3.360 0 50 IGAA COCc1cc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@@H](C)c3ccccc3C)CC2)no1 2332238837 NQEABHHYPLHVQA-ZYSBOAIWSA-N 447.557 3.162 0 50 IGAA COc1ccc(CC(=O)N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)cc1F 2356170145 XEIYFALAPVTLCI-UHFFFAOYSA-N 429.488 3.485 0 50 IGAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 706356 VSPNKNNRXKIFLM-SFHVURJKSA-N 432.860 3.434 0 50 IGAA Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 1143763 VACCPEWVZXVINO-AWEZNQCLSA-N 427.505 3.484 0 50 IGAA O=C(CSc1ccccc1)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 2836708 XBVNDSZXPYRICS-UHFFFAOYSA-N 431.473 3.358 0 50 IGAA CN(CCc1cnn(C)c1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11878925 WHNJWFLNAAJVTH-UHFFFAOYSA-N 444.583 3.283 0 50 IGAA Cc1cc(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n2)ccc1Cl 13960115 FSVXAOPABTXVRN-KRWDZBQOSA-N 434.777 3.302 0 50 IGAA Cc1cnc(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 15070280 DTWLVHHWYWKFTP-IBGZPJMESA-N 433.478 3.231 0 50 IGAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)on1 15071716 WUTGUORYLQECID-IBGZPJMESA-N 439.560 3.174 0 50 IGAA COC(=O)c1c(NC(=O)Cc2ccc(Br)cc2)sc(C(=O)N(C)C)c1C 16400652 NWLLNFIFKNPJER-UHFFFAOYSA-N 439.331 3.489 0 50 IGAA COc1cc(CN2CCN(Cc3ccccc3)CC2)cc(I)c1O 23281331 UBVKEMSGEBZNOS-UHFFFAOYSA-N 438.309 3.323 0 50 IGAA Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 239672567 BTXDLXRFQDMOMT-QILLFSRXSA-N 428.562 3.030 0 50 IGAA C[S@](=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2OC(=O)c2ccc([S@](C)=O)cc2)cc1 252502978 UWHJCVZOGAXNFA-AVRWMQKNSA-N 448.562 3.486 0 50 IGAA O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1)N1CCCC1 299781431 HVVRFQZCASWBMB-UHFFFAOYSA-N 435.499 3.461 0 50 IGAA CC(C)[C@@H]1[C@@H](C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)CCN1C(=O)OC(C)(C)C 390832877 LNUCBRHHZZNTOS-LSTHTHJFSA-N 442.560 3.183 0 50 IGAA O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCC(O)(c2nn[nH]n2)CC1 798148703 NQCSYKWPESBCMI-UHFFFAOYSA-N 434.887 3.192 0 50 IGAA CC(C)OCCONC(=O)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952895358 ZZMWRUHVVZPMGG-SFHVURJKSA-N 446.401 3.448 0 50 IGAA Cc1cncc(CC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)c4ccc5c(c4)ncn5C)C3)C2)c1 2325818068 XTJQWZITFROXOD-FGZHOGPDSA-N 445.567 3.220 0 50 IGAA COc1cccc(CO[C@H](C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2c(C)cnn2C(C)C)c1 2325826681 JHOWZULYEYGPDJ-DUXKGJEZSA-N 442.560 3.153 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Br)c1 800960 ONMZNGKFQUUNIV-UHFFFAOYSA-N 433.287 3.292 0 50 IGAA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2ccccc2c1 1062542 AGNHBLPIZUEGOW-UHFFFAOYSA-N 426.494 3.260 0 50 IGAA O=C(CSc1ncccn1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 11873768 RXNSVMABYQFIAX-MRXNPFEDSA-N 444.988 3.309 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12380796 QOZGJWSLLOMPKT-JTQLQIEISA-N 431.297 3.086 0 50 IGAA O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)nn1 14962833 HHTQQFOCIVRWCO-MRXNPFEDSA-N 443.935 3.141 0 50 IGAA O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1)NC1CCCCC1 19641421 OKZANNDOWOJIKP-KRWDZBQOSA-N 444.557 3.394 0 50 IGAA O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCN(Cc2cccnc2)CC1 20907450 DGDGNBGSNGVEKZ-UHFFFAOYSA-N 438.535 3.269 0 50 IGAA CCOC(=O)CCCS(=O)(=O)c1nc(-c2ccccc2OC)cc(C(F)(F)F)n1 34928940 ZZJZNHIAJMFRTD-UHFFFAOYSA-N 432.420 3.288 0 50 IGAA COCCn1c(CN(C)Cc2cccc3ccccc23)cnc1S(=O)(=O)CC1CC1 55154195 VERNFLJRDXHSIF-UHFFFAOYSA-N 427.570 3.498 0 50 IGAA CCCn1c(SCCCn2cnc3c(N)ncnc32)nc2sc3c(c2c1=O)CCC3 116679416 MMISDZWJGYVXLK-UHFFFAOYSA-N 441.586 3.261 0 50 IGAA CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)c(C(=O)NC2CCCC2)n1 225695608 GWOLHPRCLHZMIN-SAKMYQHLSA-N 428.533 3.207 0 50 IGAA CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 253425748 DCWVMSPYAJXCGG-IBGZPJMESA-N 426.561 3.254 0 50 IGAA COc1cc2c(cc1OC)CN(C(=O)CCCCCn1c(C)ccc1C)[C@H](C(N)=O)C2 409414713 VEZDNCRFJWQVGL-FQEVSTJZSA-N 427.545 3.121 0 50 IGAA biogenic C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cc(F)ccc1N1CCC(O)CC1 748064720 GOLSLOGQSHHGGA-YJYMSZOUSA-N 429.467 3.229 0 50 IGAA CSCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1c(O)nc2ccccc2c1=O 888088847 UPJAHDKGGAFCHJ-FZKQIMNGSA-N 437.525 3.150 0 50 IGAA CSCC[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O 888090212 KAECGDNTHXZGKW-HXUWFJFHSA-N 436.537 3.237 0 50 IGAA O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cccn2)c(F)c1 1321565534 CNEXTQDUGOWSHN-NRFANRHFSA-N 428.895 3.468 0 50 IGAA Cc1noc(-c2ccc(S(=O)(=O)N[C@H]3CCCN(C(=O)c4cccs4)C3)o2)c1C 1506418452 IDTVFTBZNIQGBR-AWEZNQCLSA-N 435.527 3.196 0 50 IGAA O=C(O)[C@H]1CN(Cc2cc(Cl)ccc2OCCCn2ccnc2)CC12CCOCC2 1857703454 QCYNLQRQGJLNAY-LJQANCHMSA-N 433.936 3.319 0 50 IGAA CCc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1 1875262714 SYSUESQVYPXDOO-SFHVURJKSA-N 429.586 3.098 0 50 IGAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1cc2nc[nH]c2cc1F 1875288027 KVZQFFOGCFUZNU-CYBMUJFWSA-N 442.458 3.424 0 50 IGAA CC1(C)CN(S(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCCCN2)Cc2ccccc21 1875305039 DHLLBRVSPHOKFR-QGZVFWFLSA-N 447.626 3.102 0 50 IGAA CCOC(=O)c1n[nH]c(C2CN(c3nc(-c4cccnc4)nc4sc(C)c(C)c34)C2)n1 1875359346 AYSFNENFCXESJF-UHFFFAOYSA-N 435.513 3.269 0 50 IGAA COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)cnc1O 2325824313 XXFIQMOYWGLDON-QGTPRVQTSA-N 437.496 3.297 0 50 IGAA C[C@H](c1cccc(-c2ccc(N)cc2)c1)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1O 2325899796 XQYQHFRNPMWQPA-CQSZACIVSA-N 425.510 3.122 0 50 IGAA CCOC(=O)c1sc(NC(=O)CSc2ncn[nH]2)c(C(=O)Nc2ccccc2)c1C 6492006 JQOBKDLLCPOGSX-UHFFFAOYSA-N 445.526 3.334 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 14732999 VTARTZYPNBCCGG-UHFFFAOYSA-N 429.480 3.183 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCN2CCCCC2=O)C1 15073430 CABVPVTUKMDCFG-QHCPKHFHSA-N 436.499 3.082 0 50 IGAA COc1cc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC 16731781 OZUZYNVIICYXEJ-MHWRWJLKSA-N 429.885 3.045 0 50 IGAA COC[C@H](Cc1ccccc1)N(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 170609889 WDIJDXAKTVEPMT-INIZCTEOSA-N 425.554 3.122 0 50 IGAA Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3c3nc(-c4cccs4)no3)cn2)n1 225661550 FDNWZDBVKOGHPZ-MRXNPFEDSA-N 436.497 3.209 0 50 IGAA CC(C)[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc2c(c1)OCCCO2 248179910 YBLYCENOUMUTLX-FBJLLXQBSA-N 443.544 3.162 0 50 IGAA CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)NCc2nncn2-c2ccccc2)C1 253417312 ZJFAMPIFDLMHJR-GAJHUEQPSA-N 425.533 3.311 0 50 IGAA Cc1ccc2nc(CNC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)[nH]c2c1 466765667 LBBZOWCKHPDOMQ-UHFFFAOYSA-N 435.572 3.442 0 50 IGAA Cn1c(=O)ccc2ccc(NC(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)cc21 489518795 ALVRIMYNQBKEDA-GOSISDBHSA-N 432.459 3.073 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2CC[C@H](Nc3cccc(C)n3)C2)sc(C(C)=O)c1C 1875254126 BAVBGMJYZFOURV-INIZCTEOSA-N 444.557 3.264 0 50 IGAA CSc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 655766 HNFCHORAYYXCAM-SFHVURJKSA-N 434.583 3.207 0 50 IGAA COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1Cn1nc(C)c(Br)c1C 9971428 KMIJZKKRDNQFTK-XJKSGUPXSA-N 426.336 3.108 0 50 IGAA COc1ccccc1C(=O)N1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1ccccc1C 10059690 FIGDOCNLWXUSOK-PCCBWWKXSA-N 435.524 3.284 0 50 IGAA COc1cccc(-c2ccnc(-n3ncc(C(=O)N(C)Cc4ccon4)c3C3CC3)n2)c1 12245740 QRJHYZSOXIPAFD-UHFFFAOYSA-N 430.468 3.476 0 50 IGAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1nc3ccccc3[nH]1)CC2 14740924 JFZJKBKHBZJLEL-UHFFFAOYSA-N 444.539 3.124 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C2CCCC2)C1=O 14968819 JIVWKZDRBHTXNA-PXDATVDWSA-N 442.556 3.052 0 50 IGAA CN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)c3cn4ccccc4n3)CC2)CC1 20454516 UEMKYCFQVUKPGL-UHFFFAOYSA-N 446.599 3.178 0 50 IGAA Cc1ccc(-n2c(C3CCN(C(=O)c4cc(-c5ccc(F)cc5)n[nH]4)CC3)n[nH]c2=O)cc1 169779803 IQLOIEKPZRHAHQ-UHFFFAOYSA-N 446.486 3.418 0 50 IGAA COC(=O)C[C@]1(NC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)CCOC1 170596764 AMCMVXQJLNHCMH-WUZNFDRSSA-N 445.519 3.450 0 50 IGAA CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCCC(=O)O)[C@@H](c2ccccc2F)C1 225516866 KVXUZHUGJVAQSR-LJQANCHMSA-N 447.488 3.130 0 50 IGAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 252490790 LBAYYZAENAOFNO-QHCPKHFHSA-N 441.535 3.489 0 50 IGAA Cc1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)o1 263616110 HCSQLDDBCMVEGO-QFIPXVFZSA-N 448.523 3.225 0 50 IGAA CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 1458124659 YAQVPSZCRRIKFI-CYBMUJFWSA-N 426.477 3.012 0 50 IGAA Cc1cnn(C2CCN(C(=O)Nc3cc4c(cc3Br)CCNC4=O)CC2)c1 2325820164 CLRQWAZHMAMZTN-UHFFFAOYSA-N 432.322 3.109 0 50 IGAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c(OC)c3OC)C2)cc1OC 11933070 DMUWKSJFHKHGOH-INIZCTEOSA-N 443.496 3.465 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1OC 12111691 LETRRQBFANTHGI-SFHVURJKSA-N 436.549 3.171 0 50 IGAA COc1ccc(CNCc2c(OC)cccc2OC)cc1OC[C@@H](O)CN(C)C(C)C 12111698 IEWJXBNEYDEXIQ-IBGZPJMESA-N 432.561 3.082 0 50 IGAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)nn1C 12301110 LWOSAUCHNVJPMG-NRFANRHFSA-N 428.552 3.401 0 50 IGAA COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(F)c(Cl)nc1Cl 170621184 REPCMXHZTOQPJV-UHFFFAOYSA-N 428.247 3.403 0 50 IGAA C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1=O 170623573 ZMENBSJMJCHXAW-NYHFZMIOSA-N 428.916 3.426 0 50 IGAA CC(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1 225659358 LBQVYFPWQFWQIA-LJQANCHMSA-N 426.538 3.434 0 50 IGAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3ccc4[nH]ccc4c3)N=C2O)cc1OC 252537818 MLCDHFMZTZSSRM-GOSISDBHSA-N 436.468 3.229 0 50 IGAA O=C(NCc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263618611 UPUPYVKCLOVIAR-XMMPIXPASA-N 446.555 3.013 0 50 IGAA O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)N1CCC(N2CCNC2=O)CC1 466123059 VPTABHJNRUUCJC-UHFFFAOYSA-N 430.455 3.456 0 50 IGAA CCN1CCN(CCOc2ccc(CN3CCO[C@H](c4ccc(F)cc4)C3)cc2)CC1 823116391 VROXGYPTYHCLQC-VWLOTQADSA-N 427.564 3.416 0 50 IGAA Cc1cccc(N2CCC(N3CCCN(S(=O)(=O)N4CCCCC4)CC3)CC2)c1C 952990405 VEBATJIOUIOVDG-UHFFFAOYSA-N 434.650 3.011 0 50 IGAA COc1ccc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c(OC2CCCCC2)c1 1875256909 XKZQGBVZOSFFNT-IBGZPJMESA-N 430.467 3.400 0 50 IGAA CCc1c[nH]c2nc[nH]c(=NCc3ccccc3CN3C(=O)NC4(CCCCC4)C3=O)c12 1875333644 FRWXBMCAEBQTBG-UHFFFAOYSA-N 432.528 3.309 0 50 IGAA CCCOc1cc2c(cc1CN1C[C@@H]3COCC[C@]3(C(=O)N3CCCC3)C1)O[C@@H](C)C2 1875391936 FUOBPCKZWATHGM-HCYUJWNOSA-N 428.573 3.260 0 50 IGAA C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1ccc2c(=O)ccoc2c1 2325701257 DZASMOSXFAPXBU-OAHLLOKOSA-N 426.494 3.166 0 50 IGAA CC(C)N(C)C1CCN(C(=O)[C@H]2CCC[C@@H]2C(=O)N2CCC(N(C)C(C)C)CC2)CC1 2325713248 AZZHYRDXDULWLV-GOTSBHOMSA-N 434.669 3.065 0 50 IGAA C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1)c1noc(Cc2ccccc2)n1 2325853558 UVKFLTAJMPSICK-CYBMUJFWSA-N 435.463 3.135 0 50 IGAA COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 951816 OMWQOHVPGWSPSJ-UHFFFAOYSA-N 442.497 3.164 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 1130848 VODAFGGKEKEJSX-QGZVFWFLSA-N 439.331 3.250 0 50 IGAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 1149966 HVVUENDIFVHIGQ-HNNXBMFYSA-N 434.514 3.055 0 50 IGAA O=C(NCCOc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 2999766 PZBAWZGZCHRIAK-OAQYLSRUSA-N 442.512 3.327 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCOCC1 9356145 DJSSRFMTBDEMNM-UHFFFAOYSA-N 426.494 3.122 0 50 IGAA COCCc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)cn1 11936620 XFMNDMZUMOXQHJ-HXUWFJFHSA-N 434.544 3.010 0 50 IGAA Cc1cc(=O)c(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c(CCc2ccccc2)n1CCN(C)C 11999201 KYCBOKZVRCLSDQ-XPWALMASSA-N 433.596 3.446 0 50 IGAA CC[C@@H](O)C1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1 12304978 RLPSMNCSVFEQDJ-JOCHJYFZSA-N 433.618 3.291 0 50 IGAA CCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 14881941 OZTFAMCOWVUBBG-UHFFFAOYSA-N 430.556 3.377 0 50 IGAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN1CCC[C@H](CO)C1 14972010 FMBFTDRIBYNWDX-HNNXBMFYSA-N 428.920 3.455 0 50 IGAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19799051 YCBMQKZFUNXSMN-UHFFFAOYSA-N 429.325 3.229 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 19857232 ATUHLVJOYZSVGC-HXUWFJFHSA-N 432.948 3.422 0 50 IGAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCc5ccco5)CC4)c3CO2)cc1 169758930 QOISIGFPIRPEFN-JOCHJYFZSA-N 448.523 3.225 0 50 IGAA Cc1nn2cc(C(=O)N3CCC[C@@H]3CN(C)C(=O)CCc3ccccc3C)nc2s1 1875354212 DCXPUDGSCOKSJF-GOSISDBHSA-N 425.558 3.103 0 50 IGAA COCCn1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(C)s2)cc2ccccc21 2325737541 YLLNGGYMHSKOJW-QGZVFWFLSA-N 430.555 3.206 0 50 IGAA CN(CCCCN(C)C(=O)c1ccc2c(c1)COCO2)C(=O)c1ccc2c(c1)COCO2 2325738359 JUPZIZUJTHRFSV-UHFFFAOYSA-N 440.496 3.044 0 50 IGAA Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN[C@H](Cc2cnn(C)c2O)C(=O)O)cc1 2325875915 FPMFFRPJFZOFNB-OAQYLSRUSA-N 449.486 3.211 0 50 IGAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1/C=C/c1cc(OC)c(O)c(OC)c1 628716 HKBYOWBGBLJRCL-MDZDMXLPSA-N 431.485 3.316 0 50 IGAA Cn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2CCCc2ccccc2)n(C)c1=O 637923 WYFJWZOQBPGCJE-UHFFFAOYSA-N 438.528 3.498 0 50 IGAA COc1ccccc1C(=O)Oc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 896539 UWCRCJLNRWFTPY-UHFFFAOYSA-N 443.459 3.343 0 50 IGAA COC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O 1157889 LRFHKIFRSRESTF-MHWRWJLKSA-N 445.269 3.094 0 50 IGAA COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc(OC)c1OC 1794938 BSMBPFBSKIWBHC-NRFANRHFSA-N 440.496 3.434 0 50 IGAA COC(=O)c1cc(NC(=S)NCCc2c[nH]c3ccc(OC)cc23)cc(C(=O)OC)c1 2357366 OBGDXPHQFJGERC-UHFFFAOYSA-N 441.509 3.279 0 50 IGAA COCCN(Cc1ccccc1OCCO)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11661087 CVIGOFXYWKQMTN-QFIPXVFZSA-N 438.612 3.386 0 50 IGAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3cccnc3)C2)c(OC)c1 12434719 QTNGJPSTFSYTAE-FQEVSTJZSA-N 439.556 3.367 0 50 IGAA O=C(CCCc1cccs1)N1CC(=O)N(Cc2cccnc2)C[C@H](OCC2CC2)C1 14530536 YULXSVVAPNVBDR-FQEVSTJZSA-N 427.570 3.132 0 50 IGAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(C[C@@H]3CC=CCC3)CC2)C1=O 14531351 WZORCDNYRZARDK-JOCHJYFZSA-N 425.573 3.331 0 50 IGAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)COc1ccc(C)cc1)CC2 14746943 QHMSDMSZJTWLLC-UHFFFAOYSA-N 439.434 3.284 0 50 IGAA O=C(Nc1cnn(-c2ccc(C(=O)N3CCOc4ccccc4C3)cc2)c1)C1CCOCC1 14881060 MBPBJHRPUFQKEM-UHFFFAOYSA-N 446.507 3.272 0 50 IGAA O=C(c1cn(C[C@H]2COc3ccccc3O2)nn1)N1CCC(Cc2ccccc2F)CC1 14974884 NFKLRGZQFRLCIZ-IBGZPJMESA-N 436.487 3.352 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CSc2ccccn2)C1 15071423 IILFUSSUCXRVFV-LJQANCHMSA-N 426.586 3.289 0 50 IGAA O=C(CCc1nc2cc(Cl)ccc2s1)NS(=O)(=O)c1ccc2c(c1)OCCO2 730688995 AZCZUIMTHLHIRG-UHFFFAOYSA-N 438.914 3.159 0 50 IGAA Cc1ccc(F)c(-c2cc(NC(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1 1465064634 OIPNEYQEDBSCQP-CYBMUJFWSA-N 432.481 3.033 0 50 IGAA O=C(c1ccn(-c2ccccc2C(F)(F)F)n1)N1CCN(c2ncncc2Cl)CC1 1875258362 MXJMSSJITBHLQD-UHFFFAOYSA-N 436.825 3.297 0 50 IGAA CN1CC[C@@H](c2nc(-c3ccc(OC(F)F)c(Cl)c3)nn2[C@H]2CCCOC2)C1=O 2325827357 DBOGFWSBJFOOPE-STQMWFEESA-N 426.851 3.497 0 50 IGAA COc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 816951 HFFZFXUFNDIEFZ-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA O=C(c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1)N1CCc2ccccc21 2850300 GVTUXOMWZLXUKG-UHFFFAOYSA-N 435.343 3.437 0 50 IGAA COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)cc1CSc1nc2ccccc2[nH]1 9504369 YLUDXVPATJVICU-MJGOQNOKSA-N 435.509 3.275 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C2CCN(Cc3nc(CCc4ccccc4)no3)CC2)C1 11715222 QIDFTYJJAZXDMU-HXUWFJFHSA-N 426.561 3.094 0 50 IGAA Cc1c(C(=O)N2CCCC[C@H]2CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 11974799 FMZCAJMWWHZFOH-HNNXBMFYSA-N 440.525 3.328 0 50 IGAA CCc1nc(C)c(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)[nH]1 12307394 UUXXZCXBIGDTOZ-UHFFFAOYSA-N 436.516 3.295 0 50 IGAA CC(=O)c1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)cc1 12462120 QTZHNNMDOCHFGV-UHFFFAOYSA-N 433.493 3.351 0 50 IGAA biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(C)cc1 13591016 SLXLNCGIXBHXDF-YMFQVDJJSA-N 436.508 3.246 0 50 IGAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)C1 13949251 JWQFVHYTQHSGEP-OKILXGFUSA-N 444.525 3.432 0 50 IGAA CNC(=O)c1nn(C)cc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 13961380 CGFOHAOKRYARDY-UHFFFAOYSA-N 448.430 3.451 0 50 IGAA CC(C)CNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)C[C@H](O)c2ccccc2)c1=O 14992057 MCWPOYMSGGPMTH-QFIPXVFZSA-N 439.556 3.155 0 50 IGAA OC1CCN(C[C@@H](O)COc2cccc(CNCc3ccccc3C(F)(F)F)c2)CC1 15068770 VHBXJQCAKXDYCR-HXUWFJFHSA-N 438.490 3.192 0 50 IGAA COC(=O)c1ccc(-c2noc(CN3CCCN(C4Cc5ccccc5C4)CC3)n2)cc1 20907924 UNDZKVISIQVURM-UHFFFAOYSA-N 432.524 3.198 0 50 IGAA CCOc1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)ccc1O 20916873 XYSOBJFHFCBAGW-QFIPXVFZSA-N 428.573 3.485 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1ccc(Cl)cc1 32587102 YGDIKJSBXUXRQH-RXVVDRJESA-N 437.918 3.114 0 50 IGAA COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100637135 NFQIKDHKJJPOFD-XJWJWMFXSA-N 446.503 3.061 0 50 IGAA C[C@@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)c2C(=O)NC2CCCC2)C1 239165085 NKQHFTPUTSIYOP-KBLYNHFRSA-N 428.554 3.212 0 50 IGAA COC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)cc1 239235747 WPTCZOHWTAYUNS-KNPYFFGGSA-N 443.455 3.250 0 50 IGAA CCOC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1c(C)nn(Cc2ccccc2)c1C 253421679 AUYLPLADGUMQKQ-OAQYLSRUSA-N 445.516 3.270 0 50 IGAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCc3cc(F)ccc3C2)C1=O 768902920 IQDJLBVPDUZUME-VWLOTQADSA-N 431.467 3.331 0 50 IGAA O=C(N[C@@H](Cc1ccc(-c2cn(CCc3ccccc3)nn2)cc1)C(=O)O)c1cncs1 1875324493 ASSBOHPMJNSOTM-IBGZPJMESA-N 447.520 3.070 0 50 IGAA Cn1ncc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)c1Cc1ccccc1 1875358487 XWSOFTQHHSUHJJ-OAQYLSRUSA-N 446.507 3.343 0 50 IGAA C[C@]1(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)Cc2cncc(O)c2)CCc2ccccc2C1 1875361701 ZBPZAJVYKVSCHB-NTPMPWFXSA-N 433.552 3.021 0 50 IGAA O=C(O)c1csc([C@@H]2CCCN2C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n1 2325852141 UQDPYKMYYWDEOI-AWEZNQCLSA-N 448.298 3.423 0 50 IGAA COc1cc(-n2nnnc2SCC(=O)Nc2ccc(F)c(F)c2)c(OC)cc1Cl 679244 JWHJJOHFJQUOFW-UHFFFAOYSA-N 441.847 3.342 0 50 IGAA COC(=O)c1cn(-c2c(F)cc(Br)cc2Br)nc1C(=O)OC 2544858 ORDWWNXJCHVQLV-UHFFFAOYSA-N 436.031 3.110 0 50 IGAA CC[C@]1(C2CCN(CCC(C)C)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 11786924 MWLFNKPQQACEER-NTKDMRAZSA-N 429.561 3.285 0 50 IGAA COc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3OC)C2)o1 14957728 QZNDLOALTZPYNT-IBGZPJMESA-N 429.561 3.213 0 50 IGAA O=C(NC1CCCCC1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20773962 BUCGNSXNSRBJAO-NRFANRHFSA-N 428.577 3.040 0 50 IGAA Cn1ccnc1SCCNC(=O)CN1Cc2ccccc2O[C@@H](c2ccsc2)C1 39371421 DGEHSWWVDZHSNH-LJQANCHMSA-N 428.583 3.326 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1cccc2ccccc12 138066220 FBZCIMOIZKPVIV-AVJFOWIRSA-N 441.462 3.410 0 50 IGAA COC(=O)c1ccccc1-c1ccc(CNc2ccnc(C(=O)N3CCC(O)CC3)c2)o1 225568105 SDBRPDGGLAAGDK-UHFFFAOYSA-N 435.480 3.337 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 239165037 NIWXLWVLEUZYGR-YCBBYDHLSA-N 435.705 3.094 0 50 IGAA CCS(=O)(=O)Nc1cccc(N2CCC(NCc3cccc(OC)c3OC)CC2)c1 299767865 WSBUCYPJVBUWKB-UHFFFAOYSA-N 433.574 3.224 0 50 IGAA COC(=O)C1(C(=O)OC)CCN(C(=O)c2ccc(N3CCCc4ccccc43)cc2)CC1 2325827053 UFEIKLLWLMBBNH-UHFFFAOYSA-N 436.508 3.339 0 50 IGAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3F)C2)c1 1053109 AJKARBNOTBAECJ-LJQANCHMSA-N 447.488 3.130 0 50 IGAA CCCC(=O)N1CCc2c(sc(S(=O)(=O)Nc3ccc(C)cc3)c2C(=O)OC)C1 12246666 GJGNGULNHUJRLF-UHFFFAOYSA-N 436.555 3.329 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 12457376 JNVQSZZTHXCMMO-DEOSSOPVSA-N 426.513 3.029 0 50 IGAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CN2C(=O)CSC2=O)CC1 12836937 RAPPYAFBIWVDMB-UHFFFAOYSA-N 447.601 3.087 0 50 IGAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 13427355 PGCKAJIVIJLFNR-IIDMSEBBSA-N 442.777 3.173 0 50 IGAA Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1F 14754243 BHBQALHJMBZNIV-LJQANCHMSA-N 428.552 3.106 0 50 IGAA COC(=O)c1ccc(CN2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 14981592 ODPNQKYNVKJERE-UHFFFAOYSA-N 448.441 3.296 0 50 IGAA CCN(Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCN(C)CC2)c1 20449253 JDUYGPYWTWAFRF-DEOSSOPVSA-N 441.616 3.095 0 50 IGAA COc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(Cl)c1OC 20449955 FAHXAPQKVCRWHE-FQEVSTJZSA-N 440.028 3.099 0 50 IGAA COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1 43130417 KAKPGJJRYRYSTP-UHFFFAOYSA-N 441.463 3.149 0 50 IGAA CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(C(=O)O)cc4)nn3C)ccc2[nH]1 82156775 MMJPVSDTLGFIQW-UHFFFAOYSA-N 446.463 3.373 0 50 IGAA in-vitro O=C1C[C@@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 169299937 NNAVSLKTBXXOQJ-ADSMNUKGSA-N 435.499 3.209 0 50 IGAA COc1ccc(C(=O)NC[C@H](CO)CC2CCCCC2)cc1S(=O)(=O)NC(C)(C)C 170611743 GVPAEUHISUIEIP-QGZVFWFLSA-N 440.606 3.081 0 50 IGAA C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@@]2(CCCOC2)O1 225471394 QNAYRCLPYYPBPP-VBKZILBWSA-N 426.435 3.242 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N(C)c2cccc3cccnc23)c(C)c1NS(C)(=O)=O 253397318 PLGOJAQFWZISSE-UHFFFAOYSA-N 433.555 3.357 0 50 IGAA O=C(c1ccc[nH]1)N1[C@H]2CC[C@@H]1C[C@]2(Cc1cscn1)C(=O)NCCc1ccccc1 1704311805 SFLLLYUUPQXAKK-IZIIKQMZSA-N 434.565 3.436 0 50 IGAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 1857704079 CRGIJRMXFWHICW-INIZCTEOSA-N 441.553 3.148 0 50 IGAA COc1ccc(C)cc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 1059300 IOWIMJAHUHLGFV-UHFFFAOYSA-N 441.347 3.479 0 50 IGAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cnn(COCC(F)(F)F)c1 2809334 IOQLQOJLHWBFGB-UHFFFAOYSA-N 441.431 3.375 0 50 IGAA CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccco2)s1 2822483 OPYJLGORVPNZEY-UHFFFAOYSA-N 426.541 3.283 0 50 IGAA O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccccc1 8997635 JHXXKVWFWGWYSN-UHFFFAOYSA-N 428.492 3.307 0 50 IGAA CN(CCCCN1CCOCC1)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 11874230 ZCWDNQDGPNBYIZ-VWLOTQADSA-N 447.664 3.235 0 50 IGAA COc1cccc(CCNc2ncnc3sc(C(=O)N(C)CCN(C)C)c(C)c23)c1 11966690 KKPRNBHYIJKULK-UHFFFAOYSA-N 427.574 3.297 0 50 IGAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 12050853 JYACTUSVWPWVTE-OAHLLOKOSA-N 429.464 3.339 0 50 IGAA COc1cc2nc(-c3ccccc3)c(CN[C@@H]3CCS(=O)(=O)C3)cc2c(OC)c1OC 12079937 SCUBQTMLQDNDPZ-QGZVFWFLSA-N 442.537 3.204 0 50 IGAA CC[C@@H](O)CNC(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 12212464 KMYQGMGTOSPDNA-OAHLLOKOSA-N 444.557 3.172 0 50 IGAA COc1cccc([C@@H](C)NC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1 12297838 OAQGEHHRBFHLCQ-OAHLLOKOSA-N 425.485 3.496 0 50 IGAA CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(Cc1ccccc1)c1ccc(Cl)cc12 12379486 SNLBTRLAWGNBAH-HXUWFJFHSA-N 428.901 3.042 0 50 IGAA O=C1CC[C@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)CN1Cc1ccc(Cl)cc1 12587604 RSGGZOLLTOZGPY-SFHVURJKSA-N 443.931 3.046 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1I 16425465 DZLYPGBHRYAJGL-UHFFFAOYSA-N 433.267 3.418 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1C2CC3CC(C2)CC1C3 55370943 GIQRSNCXRMAHGO-ZTIVUGHTSA-N 433.955 3.111 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)cc1 241435188 NLKVNDGDQNJNTK-RVKKMQEKSA-N 428.794 3.453 0 50 IGAA CC(C)[C@H](NC(=O)CN1CC[C@@H](OCc2ccncc2)C1)c1ccc2c(c1)OCCCO2 252536397 ILPYHXFLCNKSQV-BWKNWUBXSA-N 439.556 3.347 0 50 IGAA COc1ccc([C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)c2cc3c(cc2O)OCO3)cc1 828777862 FYKSKVUAUAJUFE-TZIWHRDSSA-N 449.503 3.371 0 50 IGAA biogenic O=C(NC[C@@H]1CCC2(CCC2)O1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1857527591 RQJFNBSCDOEDQM-HOTGVXAUSA-N 427.423 3.091 0 50 IGAA O=C(O)c1ccc(CN2C(=O)c3ccc(C(=O)c4ccc(C(=O)O)cc4)cc3C2=O)cc1 1210091 VZTMSMZWWVWSSB-UHFFFAOYSA-N 429.384 3.110 0 50 IGAA CN(Cc1ccco1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O 14882995 LFXPUFXJNRLVAE-XMMPIXPASA-N 435.455 3.059 0 50 IGAA C[C@]1(C2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)NC(=O)NC1=O 14974134 YYNNYDKFLZQETN-RUZDIDTESA-N 429.524 3.349 0 50 IGAA CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]nc(I)c23)CC1 59269048 WMEAHSPWOMNXEX-UHFFFAOYSA-N 428.274 3.225 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 239164843 NAHDYRZAJDPAAA-BTHOMQSPSA-N 449.732 3.484 0 50 IGAA CC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 299761013 QHGGCDVLYLDKSR-AVRWGWEMSA-N 442.531 3.373 0 50 IGAA O=C1C[C@@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@@H]4CC(=O)c5ccccc54)[C@@H]3C2)c2ccccc21 476267077 RVSNHONNBGIYEA-RAKGIWIYSA-N 442.515 3.176 0 50 IGAA O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](O)c1cccc(C(F)(F)F)c1 797228522 QUXUYVPKJKLYRC-GOEBONIOSA-N 437.336 3.314 0 50 IGAA Cc1ccc(C(=O)N2CCN(C(=O)NCc3nc4cc(Cl)c(F)cc4[nH]3)CC2)cc1 1875352723 BOQQDNPCGGULIC-UHFFFAOYSA-N 429.883 3.331 0 50 IGAA CN(Cc1ccc(Br)c(F)c1)C(=O)NCCNC(=O)Cc1ccc(F)cc1 2325744578 LJNZTPASARWXCN-UHFFFAOYSA-N 440.288 3.228 0 50 IGAA CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c1 2804944 KBJIQKLGCWUPGI-SNVBAGLBSA-N 444.351 3.036 0 50 IGAA COc1cccc(-n2c(CNC(=O)c3ccc(C)s3)nnc2SCCN(C)C)c1 11790837 JGUGMGWLMYLTLG-UHFFFAOYSA-N 431.587 3.230 0 50 IGAA Cc1cccnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12442402 LAUKLSXZVDUWBH-DEOSSOPVSA-N 444.535 3.189 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cnccn3)CC2)cc1)N1CCc2ccccc2C1 12726977 IAEDYAOPTUVGBM-UHFFFAOYSA-N 441.579 3.476 0 50 IGAA CCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccn3)CC2)cc1 22910058 CONSYIBEVLCKSA-XMMPIXPASA-N 442.563 3.334 0 50 IGAA COc1ccc(Cl)cc1C(=O)NCc1nnc2c(-c3nc(C(C)C)no3)cccn12 169775924 XCRSJQFRQZANRB-UHFFFAOYSA-N 426.864 3.495 0 50 IGAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCC[C@H]3O)ccc2Cl)C1 240465953 GBRIIWUWTCNKIC-UWWQBHOKSA-N 428.982 3.042 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]3[C@@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@H]24)cc1 252694120 IBWVDLQGQPPIOV-FKUWVVRVSA-N 432.476 3.027 0 50 IGAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ccccc2Cl)CC1 263616952 LJAQDGVGZMPUDU-FQEVSTJZSA-N 441.894 3.305 0 50 IGAA COc1cnc([C@H]2CCCN2C(=O)Nc2cn(CC(F)(F)F)nc2C2CC2)nc1O 1875330695 YIKZRNSTVPJKLQ-GFCCVEGCSA-N 426.399 3.196 0 50 IGAA C[C@H](NC(=O)[C@H](N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2 2325861684 XOXSTFFXPFRWOK-BBATYDOGSA-N 449.292 3.053 0 50 IGAA Cn1c(OCc2ccccc2Cl)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 1127840 VLWZHZPZWKQCAG-UHFFFAOYSA-N 445.306 3.368 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 2490033 UNUIPZQYUXCGRB-PZHBDVNGSA-N 432.545 3.415 0 50 IGAA Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1C 8588754 BZTHTYIYLABNLQ-UHFFFAOYSA-N 435.915 3.367 0 50 IGAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(c3ccccc3)CC2)cc1C 11873649 GSBPJUXICRUPOS-HSZRJFAPSA-N 435.568 3.100 0 50 IGAA CN(Cc1ccc(OC[C@H]2CCCN(C(=O)c3cnsn3)C2)cc1)Cc1ccon1 12041433 UXEHPEJPNULTSU-KRWDZBQOSA-N 427.530 3.089 0 50 IGAA CN(CC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1)Cc1cccnc1 12305346 MTYCKSPNIOZDNB-XMMPIXPASA-N 428.527 3.306 0 50 IGAA CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)Cc1cccs1)C2 14532272 FYJPWCHUGSKAMC-UHFFFAOYSA-N 437.569 3.053 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 14879907 FKKNMARMCGCZEH-GAJHUEQPSA-N 449.498 3.087 0 50 IGAA COc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC1CCN(C(C)=O)CC1 15063456 NPBCOJQQNNOXHO-UHFFFAOYSA-N 437.540 3.047 0 50 IGAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc2c(c1)OCO2 39393742 MGTUTWHRNCGJJN-RTWAWAEBSA-N 447.535 3.039 0 50 IGAA COCc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1 55403455 BONJCCJLKDQJPG-UHFFFAOYSA-N 440.573 3.012 0 50 IGAA CC(=O)N1CCC(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)CC1 169755679 BJTRHMHNQNNOJH-IBGZPJMESA-N 429.952 3.074 0 50 IGAA Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)sc1C 169772969 SBWGREODAPQVPR-SNVBAGLBSA-N 434.319 3.390 0 50 IGAA O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 247648247 LCOURZMLVBPXSP-LAUBAEHRSA-N 429.398 3.500 0 50 IGAA COc1ccc(C(=O)C[C@H](Cc2cc(OC)c(OC)c(OC)c2OC)OC(C)=O)cc1 253470625 RPEPEIFMCYJYPX-SFHVURJKSA-N 432.469 3.477 0 50 IGAA O=S(=O)(N[C@H]1CCCN(Cc2cccs2)C1)c1ccc(-c2nnc(C3CC3)o2)o1 828390834 FZYBJFCUCJGAKC-AWEZNQCLSA-N 434.543 3.211 0 50 IGAA CC(C)n1c([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886024552 AATHGXKEJZESCG-CTNGQTDRSA-N 445.523 3.422 0 50 IGAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cc1nc(-c2ccccc2)oc1C 1318864324 AMDRTBPKZLSBQX-KRWDZBQOSA-N 428.514 3.004 0 50 IGAA Cc1nnc(N2CCN(C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)nc1C 1875265061 YVCRYYQITAVSGK-UHFFFAOYSA-N 439.523 3.304 0 50 IGAA COc1cc(C(=O)N2CC3(CCN(C(=O)c4ncc(Cl)cc4Cl)CC3)C2)ccn1 1875327197 OPOWRBAPBSSSKR-UHFFFAOYSA-N 435.311 3.170 0 50 IGAA C[S@@](=O)Cc1cc(NC(=O)Nc2cccc(Cn3cccnc3=O)c2)ccc1Cl 2325731306 CMVDTWYXABHARX-GDLZYMKVSA-N 430.917 3.468 0 50 IGAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(OC)cc1 1127444 YZVQTNHVXIDKBJ-UHFFFAOYSA-N 443.504 3.107 0 50 IGAA COc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1OC 8830024 PFGQZGVOOWJRCR-UHFFFAOYSA-N 431.286 3.280 0 50 IGAA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1Cl)[C@H]1C(=O)c3ccccc3C1=N2 8926153 VQLRJUHFEBTSPY-LSDHHAIUSA-N 440.286 3.470 0 50 IGAA COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)cc(OC)c1 12053232 SNIAQUAQEBXCPO-GOSISDBHSA-N 449.555 3.153 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC 12058014 PZGWAWRHXVSAEO-FQEVSTJZSA-N 429.561 3.407 0 50 IGAA CCCO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 12709209 BUHIFBZQSWWNOH-QFIPXVFZSA-N 432.561 3.124 0 50 IGAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)n1 13009098 XKWCOCVHKXJTDO-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(CC)C1=O 14882499 CJSPTMPIVVRHKC-UWJYYQICSA-N 440.462 3.140 0 50 IGAA COc1ccc(CC(=O)N2CCOc3ccc([C@H](O)c4ccccn4)cc3C2)cc1OC 14886812 BPUBRUKNQMJING-VWLOTQADSA-N 434.492 3.144 0 50 IGAA CC(C)CNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)C[C@@H](O)c2ccccc2)c1=O 14992055 MCWPOYMSGGPMTH-JOCHJYFZSA-N 439.556 3.155 0 50 IGAA CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21 100468481 JCINBYQJBYJGDM-UHFFFAOYSA-N 432.532 3.495 0 50 IGAA investigational O=C(Nc1cccc(O)c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)c2ccccc21 100742273 SPCIKAHTGSLSJS-SIKLNZKXSA-N 433.391 3.450 0 50 IGAA CCOc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1Br 230517330 PVPYVLOWVMAQGV-UHFFFAOYSA-N 444.347 3.386 0 50 IGAA CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 245253749 MSJJTVWAATYDKJ-JKFKMHIGSA-N 434.577 3.297 0 50 IGAA biogenic O=C(c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12)N1CCN(c2ccccc2)CC1 263616545 JJKZINVVRPLDNH-UHFFFAOYSA-N 434.887 3.113 0 50 IGAA Cc1nc2ccc(C(=O)N3CCCCN4CCCC[C@@H]4CC(=O)NCCC3)cc2nc1C 2100533181 DLVXBDCBIRZYCN-OAQYLSRUSA-N 437.588 3.234 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1)c1ccc2cccnn12 2332238610 FMVRGJWDQHYIOT-FOGNVHKLSA-N 438.500 3.000 0 50 IGAA O=C(CCN1C(=O)c2ccccc2C1=O)NC(=O)NC(c1ccccc1)c1ccccc1 758072 ZYPSZOORDULQKT-UHFFFAOYSA-N 427.460 3.288 0 50 IGAA O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2 2396397 PAUVXWBQSGJJCU-UHFFFAOYSA-N 435.465 3.441 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)cc2OC)c(OC)c1 9137451 DJKYNKBJHUHCCO-HXUWFJFHSA-N 443.525 3.153 0 50 IGAA CC(=O)c1cc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)cs1 11970486 VSGIJSVBJWNUEN-UHFFFAOYSA-N 440.550 3.239 0 50 IGAA COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NC5CC5)C4)c3C2=O)c1 15070195 FVTDSFIJOPHQJR-GOSISDBHSA-N 447.535 3.029 0 50 IGAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n1 55166319 GWRIBCPZZOSIGZ-JOCHJYFZSA-N 429.996 3.357 0 50 IGAA O=C(NCCc1ccccn1)c1cc2n(n1)C[C@H](c1ccc(Br)cc1)OC2 169759715 FMXPDLKCBBTWJY-LJQANCHMSA-N 427.302 3.285 0 50 IGAA COC(=O)c1cnccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 253430049 DOQXYVBLHZRXJX-UHFFFAOYSA-N 431.514 3.074 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)nn1C 409413268 GQTSVSHGRBUGKK-NZQKXSOJSA-N 440.588 3.449 0 50 IGAA biogenic CCOC(=O)[C@H]1CCCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)n2)C1 823226849 MGBCXDBTJCDPMS-HXWOXPGZSA-N 441.572 3.261 0 50 IGAA COc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1N1CCCCS1(=O)=O 824726342 BENQBRDGQGTCJH-UHFFFAOYSA-N 444.534 3.452 0 50 IGAA C[C@@]1(NC(=O)c2n[nH]cc2Br)CCCN(C(=O)c2ccc3sncc3c2)C1 2325823024 BSZPWGKFAPCYRC-GOSISDBHSA-N 448.346 3.207 0 50 IGAA CCc1noc(C)c1C(=O)N=S1(=O)CCC2(CC1)C[C@H](NC(=O)CC(C)C)CCO2 2332238342 MOTJCIGLFPHICI-CCMXZFFHSA-N 439.578 3.028 0 50 IGAA COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 1008220 HZGUZCSYTSRRRF-WQRHYEAKSA-N 440.477 3.222 0 50 IGAA COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccccc1C(N)=O 1124347 YMEYYPWMKGYMCY-RMKNXTFCSA-N 434.315 3.083 0 50 IGAA Cc1ccccc1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1230685 XCYJBWDBYFMOAP-UHFFFAOYSA-N 439.331 3.031 0 50 IGAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccccc2s1 2768702 GDEMURGCUKAEJN-INIZCTEOSA-N 443.550 3.330 0 50 IGAA CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)nc1N 2886746 RHTTZLSADWHBEU-GDBMZVCRSA-N 440.550 3.330 0 50 IGAA O=C(NCc1cccnc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 9185411 PGMBQHFZDIWJHS-UHFFFAOYSA-N 427.913 3.416 0 50 IGAA O=C(Nc1ccnn1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1 12210634 KZQRVMMNPOLWEW-OAQYLSRUSA-N 437.588 3.160 0 50 IGAA COc1cc(CNCCCn2ncc3ccccc32)ccc1OC[C@H](O)CN(C)C(C)C 12477050 PBDZFFFJQGWKQD-JOCHJYFZSA-N 440.588 3.305 0 50 IGAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)OCCOc2ccccc2)c1 13602778 SXFPZEAMXCKTRR-HXUWFJFHSA-N 428.510 3.119 0 50 IGAA CC(C)(C)OC(=O)NN1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042528 RDKPPWARURBAHD-KNQAVFIVSA-N 446.507 3.293 0 50 IGAA biogenic CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(I)c2c(N)ncnc21 148944021 OWIFKPIPYPOLEM-SNVBAGLBSA-N 443.289 3.018 0 50 IGAA COc1ccc(Cn2c(=O)c(-c3noc(-c4ccccc4)n3)c3n(c2=O)CCCC3)cc1 169760294 VWKIEYJUQBCDAD-UHFFFAOYSA-N 430.464 3.120 0 50 IGAA CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)NCc1cccnc1 239174586 QGTZLUDNVXNPKI-CWLKWCNXSA-N 439.537 3.405 0 50 IGAA O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 239339134 LSZSGCWNNKJEJT-UCHKQQSZSA-N 427.456 3.284 0 50 IGAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ccc(Cl)cc2)CC1 263615549 CYPGCCXLZXIVIW-FQEVSTJZSA-N 441.894 3.305 0 50 IGAA O=C(CCc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263618013 QWIOPDCHWYJOKC-VWLOTQADSA-N 445.567 3.263 0 50 IGAA O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 499847546 DVHAWGQMIJAQKT-GOSISDBHSA-N 432.436 3.032 0 50 IGAA Cc1ccc(C)c(OC[C@H](O)Cn2nnnc2Cc2ccc(Br)cc2)c1C 1875322819 JRBDQIPTVMRMPC-GOSISDBHSA-N 431.334 3.392 0 50 IGAA Cc1nn(C)c(=O)c(C(=O)N[C@H](C)c2ncc(-c3ccc(Br)cc3)[nH]2)c1C 2325739307 DMTKDVVVDFJOHE-GFCCVEGCSA-N 430.306 3.041 0 50 IGAA CC(C)c1ncsc1C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 2332238424 UNHYMTLOWVULOJ-BVKIORDFSA-N 441.619 3.167 0 50 IGAA O=C(NCc1ccccn1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 9185410 UGMJXXGTDSLCHS-UHFFFAOYSA-N 427.913 3.416 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12020767 GLVPPRNDPHSRKK-GOSISDBHSA-N 448.527 3.030 0 50 IGAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCc2nc3ccccc3s2)c1=O 12219239 YRKVVCQEVJLGIY-UHFFFAOYSA-N 426.542 3.355 0 50 IGAA Cc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)n1 12304213 AKLBNSLVRRJYRE-XMMPIXPASA-N 444.535 3.189 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCCc2ccc(F)cc2)C4)cn1 12453975 XKORZZXRMVSAQJ-GOSISDBHSA-N 437.544 3.069 0 50 IGAA CC(C)(C)C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 14731432 CEYARWFMPUHAFN-UHFFFAOYSA-N 445.567 3.382 0 50 IGAA CCC[C@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 15068971 MFMJSAISMJCGFH-HYBUGGRVSA-N 430.593 3.375 0 50 IGAA COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCCCC2 17097939 RJTWVHGQVDHWLN-UHFFFAOYSA-N 432.498 3.318 0 50 IGAA Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 20209114 FSMKVVGWSRPLQS-MRXNPFEDSA-N 425.483 3.414 0 50 IGAA CC(C)CS(=O)(=O)c1ncc(CN(C)CCN2CCCCC2)n1Cc1ccccc1 23373699 VFQYIALCZYYPRM-UHFFFAOYSA-N 432.634 3.279 0 50 IGAA CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 65363908 FSKZEGJGOMZMQT-GOSISDBHSA-N 448.527 3.070 0 50 IGAA Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c1 486595911 VWKHLVYCTHOBBY-CYBMUJFWSA-N 445.574 3.262 0 50 IGAA CC(=O)NCCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1)[C@H]1CCSC1 1875252586 MKTOBLVSSNJJID-ZDUSSCGKSA-N 426.464 3.179 0 50 IGAA CCn1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c2ccccc21 1875261644 UIADOINILRFJCJ-OAQYLSRUSA-N 435.484 3.340 0 50 IGAA CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CCC[C@H]2c2cc(F)ccc2F)CC1 2325818585 LJPQCVGOUFDBES-SFHVURJKSA-N 445.532 3.289 0 50 IGAA COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cccc(OC)c1OC 717094 VUQPIEHTTYFBSG-UHFFFAOYSA-N 429.494 3.479 0 50 IGAA CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 798734 WJDYILAJDSUBCG-UHFFFAOYSA-N 431.297 3.024 0 50 IGAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)ccc1O 909920 GKJSFLFYDFWLPZ-HXUWFJFHSA-N 427.457 3.075 0 50 IGAA COc1ccc(OC)c(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 1139684 QLGFXGOZCXKOGO-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA Nc1nc(CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccccc3)CCCCC2)n[nH]1 8783344 GYLQVSKKTSJCPL-UHFFFAOYSA-N 432.528 3.300 0 50 IGAA CSc1ccc(CNCc2cc(NC(C)=O)cc(C(=O)N3CCN(C)CC3)c2)cc1 11982486 NMVQMAQXZLZZMS-UHFFFAOYSA-N 426.586 3.044 0 50 IGAA CN(C)c1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 12308632 LYPNSDBSVBZNBO-OAQYLSRUSA-N 449.599 3.129 0 50 IGAA COc1ccc(CN(C)CCN2CCCC2)cc1OC[C@H](O)CN1CCCCCCC1 20205565 OYMOXIZAWUYJCK-HSZRJFAPSA-N 433.637 3.229 0 50 IGAA Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1C[C@H]1COc2ccccc2O1 247851662 VVBVEWQQUUXWBX-IPMKNSEASA-N 434.492 3.079 0 50 IGAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCN(c4cccc5cnccc45)C[C@H]3C)ccc2N1C 487585841 GAHPXHDUGFOYHE-SJORKVTESA-N 429.524 3.363 0 50 IGAA O=C(c1ccc2c(c1)-c1ccccc1C2)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916475836 LKHIKZKLQAYNDT-UHFFFAOYSA-N 443.528 3.165 0 50 IGAA Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCCc3nc(C(F)(F)F)cs3)cc12 2325876900 DPQIQDXFYMGONI-UHFFFAOYSA-N 434.417 3.436 0 50 IGAA CCCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 4190371 XBTVXENGPKBWCQ-HXUWFJFHSA-N 426.513 3.347 0 50 IGAA COc1ccc2[nH]c(CCN(C)C(=O)CC[C@]3(Cc4cccs4)CCC(=O)N3)nc2c1 12246181 FZKINCJIONQBPH-QHCPKHFHSA-N 440.569 3.306 0 50 IGAA CN(Cc1cccs1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12386792 HLOFWSCUAKQXIF-UHFFFAOYSA-N 442.990 3.477 0 50 IGAA COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(F)c3)C2)c(OC)c1 20351288 FZDURYALTXLFPE-UTKZUKDTSA-N 426.488 3.496 0 50 IGAA Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 20779039 DVSQWQKULQAMSA-VQTJNVASSA-N 430.618 3.272 0 50 IGAA CC(=O)c1ccc(NC(=O)CN2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 22752915 KPWWSZUABJZBGM-UHFFFAOYSA-N 433.508 3.060 0 50 IGAA biogenic,in-vitro C[C@@H]1CN(Cc2csc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 170601237 HEKOXWIARBTNSP-PBFPGSCMSA-N 443.491 3.313 0 50 IGAA Cc1noc([C@@H](NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C2CCOCC2)n1 241171113 KEHZYGOBLXMYHF-FQEVSTJZSA-N 442.516 3.011 0 50 IGAA C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)C(=O)N1CCCC1 241586431 OVZHKRHJXKCTQC-FIYPYCPBSA-N 431.964 3.240 0 50 IGAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 247854337 XFFVODIUDCYXEW-LVBDUCALSA-N 439.874 3.219 0 50 IGAA COc1cc(-c2nc(CNC(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)c(C)o2)ccc1O 1857671234 RBHDIIJJHAPJJC-OAHLLOKOSA-N 425.416 3.246 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(c3cc(F)ccc3F)CC2)C1 1857683135 CYTYVJAIGFIMII-LJFZDNNRSA-N 447.570 3.283 0 50 IGAA O=C(COc1ccc(Cl)cc1)N1CCO[C@H](Cn2cc(CCc3ccccc3)nn2)C1 1875334039 WBEJQIVFDVYJLH-QFIPXVFZSA-N 440.931 3.023 0 50 IGAA Cc1c(C(=O)NC2C[C@H]3CN(C(=O)c4scnc4Cl)C[C@@H]3C2)sc2nccn12 2325876085 KIYCCZYTPVWSBL-QWRGUYRKSA-N 435.962 3.095 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)NNC(=S)Nc2cccc(Cl)c2Cl)c1 1119066 OFDLKVBSHKLHNS-UHFFFAOYSA-N 436.342 3.191 0 50 IGAA Cc1sc(NC(=O)[C@@H](C)Oc2ccc(I)cc2)c(C(N)=O)c1C 2745445 PAQDCNQPLBAGDV-SECBINFHSA-N 444.294 3.474 0 50 IGAA CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCCSC)c21 11785288 QCYURCYJCSGMOG-UHFFFAOYSA-N 432.571 3.258 0 50 IGAA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17112645 AHFJTITWRQMIEK-UHFFFAOYSA-N 429.523 3.083 0 50 IGAA CCOC(=O)[C@@H]1CCCN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)C1 20534177 WKNFYGUGTMTJEM-HXUWFJFHSA-N 434.540 3.382 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cccc(NC(C)=O)c3)C2)CC1 55576244 CHJNPCKROFAFMH-QFIPXVFZSA-N 436.556 3.080 0 50 IGAA C[C@]1(c2ccc(CNC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)cc2)NC(=O)NC1=O 440146556 FVKJDWZGQNUIAX-CLJLJLNGSA-N 446.551 3.321 0 50 IGAA O=C1CCCN1CC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)c2ccccc21 751220673 KUZQFATYRXSASS-GOSISDBHSA-N 436.537 3.177 0 50 IGAA CC(C)(C)C1CCC(CC(=O)N2CCN(CCO)CC2)(N2Cc3ccccc3C2=O)CC1 888105493 DVQWKOYMCKXOIQ-UHFFFAOYSA-N 441.616 3.144 0 50 IGAA CCS(=O)(=O)N1CCc2c(cccc2NC(=O)N=c2cc(C3CCCCC3)[nH][nH]2)C1 1875263459 FOSSXELXBMHRJO-UHFFFAOYSA-N 431.562 3.231 0 50 IGAA C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(F)(F)c2cnc(O)nc2O)cc1Cl 1875264838 ATEMFEJBDYFPAC-JTQLQIEISA-N 440.834 3.286 0 50 IGAA C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1875341166 IUAVXXNBLFOPFC-CQSZACIVSA-N 438.919 3.442 0 50 IGAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2ccc(C(F)(F)F)nc2)CCCCN1 2100533613 AYBIAJGGJIQQDW-KRWDZBQOSA-N 426.483 3.087 0 50 IGAA O=C1/C(=C/c2ccccc2)C[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 1537914 WXOUFNFMPVMGFZ-BVYRFLAQSA-N 429.516 3.219 0 50 IGAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C)cc2)cc1 6123525 XDWDMUXRHSFWDW-UHFFFAOYSA-N 439.537 3.300 0 50 IGAA CC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)C1 12100099 TVLFXEZAVHZREF-AJTFRIOCSA-N 446.547 3.410 0 50 IGAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCCc3ccccc3)c2)CC1 12466450 DPEINVWPQIMGDM-XMMPIXPASA-N 440.584 3.034 0 50 IGAA CC(C)CN1C[C@H](OCc2ccccn2)CN(Cc2cccn2-c2cccnc2)CC1=O 14540149 AVJSNLPKFPAMQY-XMMPIXPASA-N 433.556 3.153 0 50 IGAA Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1NC(=O)C(C)C 16626805 UKJBDYKTQKOMLM-UHFFFAOYSA-N 430.508 3.403 0 50 IGAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 18142341 IRYYGJMLKLDBOS-UHFFFAOYSA-N 435.461 3.428 0 50 IGAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCN(Cc2ccccc2)CC1 20228019 AGBIUZLRQMERMA-UHFFFAOYSA-N 429.542 3.005 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)CC1 20418635 ZYRAOVYNLUWMPY-INIZCTEOSA-N 432.590 3.136 0 50 IGAA C[C@H]1CN(Cc2csc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 221905270 HEKOXWIARBTNSP-AHIWAGSCSA-N 443.491 3.313 0 50 IGAA COc1ccc([C@H](NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1OC 334160556 HGFGQTFPYTYLJS-XMSQKQJNSA-N 439.512 3.048 0 50 IGAA Cc1c(Br)ccc2[nH]c(C(=O)N[C@@H]3CCCc4nc(O)c(C(N)=O)cc43)cc12 1464030665 LDYLZXDLEUELML-OAHLLOKOSA-N 443.301 3.246 0 50 IGAA Cc1nc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)nn1-c1c(Cl)cccc1Cl 1775988705 BIEDTFGUCXNUGQ-RHSMWYFYSA-N 438.359 3.241 0 50 IGAA CCn1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c2ccccc21 1875261643 UIADOINILRFJCJ-NRFANRHFSA-N 435.484 3.340 0 50 IGAA O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1 754626 KUOYJCFZRGLATO-UHFFFAOYSA-N 430.372 3.136 0 50 IGAA CCOc1ccc(-n2c(-c3ccccc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 8591061 BQKUOKZLPXAXTG-UHFFFAOYSA-N 429.480 3.050 0 50 IGAA COc1cc(CN(C)Cc2nc(C)c[nH]2)ccc1OC[C@H](O)CN1CCCCCCC1 11819695 MEFYWGBHMKJJMI-OAQYLSRUSA-N 430.593 3.365 0 50 IGAA Cc1nc(N2CCC[C@@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)nc2ccc(F)cc12 11996435 HXRNPQMYNZZHJD-HSZRJFAPSA-N 449.530 3.199 0 50 IGAA Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)nc(C)n1 14532423 STISIZSSJJEQTJ-JOCHJYFZSA-N 436.556 3.296 0 50 IGAA CC(=O)c1cc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@@H](OCC3CC3)C2)cs1 14536889 SCHJUEJHUOEEEX-HXUWFJFHSA-N 426.538 3.231 0 50 IGAA CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)NC2Cc3ccccc3C2)c1 14964312 SMDRJJPBOGZLPF-UHFFFAOYSA-N 429.520 3.256 0 50 IGAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)cc(F)c3)n2)cc1NC(C)=O 16625520 UOUOQZGXIKAXES-UHFFFAOYSA-N 426.423 3.348 0 50 IGAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169780584 JIYFRHSMOZAUDH-ZDUSSCGKSA-N 442.907 3.490 0 50 IGAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H](c1ccccc1Cl)N1CCCC1 247767341 LRMJWZKLLYOWBP-MBOZVWFJSA-N 431.964 3.158 0 50 IGAA CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 475080032 SQWQFGAUCKOJTQ-HNNXBMFYSA-N 442.368 3.300 0 50 IGAA Cc1ccc([C@@H](CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)O)cc1 486394650 BZOPRKUDCVUQCH-JOCHJYFZSA-N 441.487 3.351 0 50 IGAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(Cc1ccccc1)C[C@H](O)c1ccco1 752774734 QLRBIBQHKBFJRI-NRFANRHFSA-N 433.439 3.341 0 50 IGAA COc1cccc2c1C1(CCN(C(=O)Cn3c(C)cc(=O)c4ccccc43)CC1)OCC2 1704300892 AXCWOAGEIFMINC-UHFFFAOYSA-N 432.520 3.409 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(Cc3ccc(C)cc3)CC2)C1 1857691091 YQZCMCCXCSDJCV-ONBPZOJHSA-N 439.644 3.399 0 50 IGAA C[C@H](NC(=O)c1c[nH]c2ncc(Br)cc12)c1cccc(N2CCNC2=O)c1 1875308304 ZGWAPVJZFWQNMR-NSHDSACASA-N 428.290 3.346 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2C)cc1 11817991 LSRXWBBDIGUDLD-QHCPKHFHSA-N 437.584 3.224 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCc2cnn(C)c2)c1 11878699 GZHPOILGNNGGGQ-UHFFFAOYSA-N 426.561 3.187 0 50 IGAA Cc1nn(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)c(=O)c2ccccc12 12200662 NRSGCEDKJLNYDX-FQEVSTJZSA-N 431.471 3.224 0 50 IGAA CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 13831810 PVLJETXTTWAYEW-UHFFFAOYSA-N 432.503 3.412 0 50 IGAA biogenic,world COCCN1C(=O)N(CCc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O 14542725 LAWSRWLMPLDFQD-UHFFFAOYSA-N 447.579 3.142 0 50 IGAA O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N(CC1CC1)C[C@H]1CCCO1 20598291 YMLRFKPAUBVQFC-JOCHJYFZSA-N 438.572 3.024 0 50 IGAA Cc1cc2c(=O)n(NC(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)c(C)nc2s1 20615966 QTHMPLSIYFQCMW-UHFFFAOYSA-N 430.440 3.316 0 50 IGAA Cc1ccc(-n2cc(CN3CCN(CC(=O)N(C)C)CC3)c(-c3cccc(C)c3)n2)cc1 23373239 QFPJZBGJBGBLRX-UHFFFAOYSA-N 431.584 3.362 0 50 IGAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 49550102 VXVFWBTYDPMWHG-UHFFFAOYSA-N 441.890 3.213 0 50 IGAA C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)C(=O)N1CCCC1 225610879 OVZHKRHJXKCTQC-FVCZOJIISA-N 431.964 3.240 0 50 IGAA CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCCN21 252016301 VSEDSEJRMWHEJN-FUSMBFRDSA-N 429.520 3.297 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@@H](C)[C@H]4[C@]34C=C[C@H]2O4)cc1 257372943 IBWVDLQGQPPIOV-AYCDBYDTSA-N 432.476 3.027 0 50 IGAA biogenic Oc1ccc(-c2noc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)c(F)c1 445462054 ZNQGFFQVYXSAFF-UHFFFAOYSA-N 449.368 3.422 0 50 IGAA C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 476864622 UGOVOKJJGHONJO-AWEZNQCLSA-N 437.359 3.379 0 50 IGAA CCOC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)n2)C1 823226857 MGBCXDBTJCDPMS-MOSQOHCXSA-N 441.572 3.261 0 50 IGAA Cn1ncc(C(=O)N[C@H](c2ccc(-c3nn[nH]n3)cc2)C(F)(F)F)c1Cc1ccccc1 1875358126 KIYLYSWUEXESDB-GOSISDBHSA-N 441.417 3.224 0 50 IGAA Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1cccc(-c2noc([C@H]3CCCO3)n2)c1 2325738050 JOZKRNHTIOSWGA-MRXNPFEDSA-N 429.454 3.396 0 50 IGAA COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 789428 DBRNJDPHZPWSDP-UHFFFAOYSA-N 436.917 3.166 0 50 IGAA COc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)c2ccccc2n1 12577968 ROFPELABMAXJCJ-HNNXBMFYSA-N 445.566 3.136 0 50 IGAA O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC[C@H]1CCCO1 16651894 LVFQMDZWFCARIA-HXUWFJFHSA-N 428.554 3.056 0 50 IGAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3n2)cc1 17440312 IDPJHLXXQKYPLD-UHFFFAOYSA-N 444.417 3.440 0 50 IGAA NC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1 45373881 SCIFUGGHOXNSJC-UHFFFAOYSA-N 443.507 3.005 0 50 IGAA in-vitro O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Br)c(Cl)c1 239164845 NAHDYRZAJDPAAA-RDXDGJJNSA-N 449.732 3.484 0 50 IGAA COc1ccc([C@@H](NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1OC 253403535 HGFGQTFPYTYLJS-AVRDEDQJSA-N 439.512 3.048 0 50 IGAA biogenic O=C1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c2ccc(F)cc2N1 446639903 UKASZOBZRHKIJU-SJLPKXTDSA-N 435.455 3.419 0 50 IGAA C[C@@H](C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468658700 LKMVRSGMWCLISE-NMQUZHGHSA-N 430.504 3.006 0 50 IGAA Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(N=c3cc[nH]cc3)cc2)s1 469172438 UQYGNZZMRZVVFM-KRWDZBQOSA-N 425.539 3.166 0 50 IGAA COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 788355871 SQUUZORPUHKIAU-OCCSQVGLSA-N 447.406 3.470 0 50 IGAA COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cc1Cl 1506420391 CGPWUIGFIJNDRF-AWEZNQCLSA-N 430.357 3.340 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCc2nnnn2CC2CC2)cc1 1875259049 APSQLAAXTFAHRQ-UHFFFAOYSA-N 433.921 3.425 0 50 IGAA Nc1ncc(C(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1Cl 2325725108 AGHYALBHDIQGRO-MJGOQNOKSA-N 428.920 3.484 0 50 IGAA Cc1ccc(CNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 2882209 OKTWWBTTZMTXGM-UHFFFAOYSA-N 425.348 3.148 0 50 IGAA COC(=O)c1cc(CNC(=O)Cc2c(C)noc2C)cc(NC(=O)c2ccccc2F)c1 12190135 YRINGJNWJHFWNW-UHFFFAOYSA-N 439.443 3.328 0 50 IGAA COc1ccc(-c2ccnc(SCC(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n2)cc1 13642578 ZQHRMKPPZZMAKZ-GOSISDBHSA-N 444.410 3.051 0 50 IGAA COC(=O)c1c(NC(=O)C2CC2)c2cc(N[C@@H](C)CCO)cnc2n1Cc1ccccc1 14540631 WTEYAVBJMDSXJQ-HNNXBMFYSA-N 436.512 3.403 0 50 IGAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O 14991991 QHPHOCGUTGBWEB-UHFFFAOYSA-N 432.609 3.201 0 50 IGAA COCCCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)CC1 15078775 AUPJWMLOCFFBKC-DEOSSOPVSA-N 437.584 3.196 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 35168663 ANWMHAXVGHCKOG-UBXANZILSA-N 436.508 3.246 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1Cl 65362607 CVVXKHHYEWHWLG-UHFFFAOYSA-N 441.923 3.295 0 50 IGAA COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)C2=O)c1 225497786 LDSDGAWHUCYGMI-ZOCZFRKYSA-N 447.413 3.316 0 50 IGAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@H]21 239165330 NYLNQVOLDRBZLL-ISFWSWAHSA-N 444.487 3.347 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 245256149 ODLBDCCZZVJIMA-MLCQCVOFSA-N 430.504 3.100 0 50 IGAA CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 252515790 NONATOUIECKAPG-VQTJNVASSA-N 433.474 3.315 0 50 IGAA COc1cc2c3c(c1)C(CN1CCN(c4ccccc4F)CC1)=CC(C)(C)N3C(=O)C2=O 409417619 JRHWLUAXQYZERN-UHFFFAOYSA-N 435.499 3.361 0 50 IGAA O=C(Nc1ccc(-n2cncn2)nc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 499830155 YOLBRLHDWXZXKZ-UHFFFAOYSA-N 434.769 3.168 0 50 IGAA COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ncoc1-c1ccc(F)cc1 770474134 TYKFLARWBHNXAH-UHFFFAOYSA-N 434.401 3.055 0 50 IGAA CNC(=O)CN1CCC(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 1875255619 HMWOMPCPBCQILF-UHFFFAOYSA-N 445.611 3.488 0 50 IGAA Cc1cccnc1CCC(=O)N1CCCC[C@@H]1Cc1cn(-c2ccc(C(=O)O)cc2)nn1 1875355294 GLDGJMUTAUTPMV-OAQYLSRUSA-N 433.512 3.225 0 50 IGAA COC(=O)[C@H](CNC(=O)C[S@@](=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1C 1875383252 MHQLAYMQXHDTRQ-OHZJNBGDSA-N 425.909 3.043 0 50 IGAA O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@@H]2C(=O)O)c(Cl)c1)NC1CC1 2325898459 DCWUYIIPJAIWML-YJBOKZPZSA-N 429.860 3.058 0 50 IGAA COc1ccc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c(OCCN)c1 2356143308 CEJAAXGOSKNZBK-UHFFFAOYSA-N 435.524 3.218 0 50 IGAA COc1ccc(OC(=O)CN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 1128550 KYJRBWLBVIXTLG-MQSUGXTHSA-N 439.467 3.493 0 50 IGAA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 6142143 MRJZHFXLXKCAMK-DNVJHFABSA-N 445.475 3.167 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCC2(CC[C@H](CNC(=O)c3ccco3)O2)CC1 11999540 GWTCCEPQMFHFPS-GOSISDBHSA-N 444.528 3.249 0 50 IGAA COc1ccccc1CN1C[C@H](C(=O)NCC2(N3CCCCC3)CCCC2)CCC1=O 12432460 UVQPBZIQGNXARS-OAQYLSRUSA-N 427.589 3.349 0 50 IGAA O=C1CN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H](OCC2CC2)CN1Cc1cccnc1 14531280 KXLYVGRLNZDNPB-XMMPIXPASA-N 449.530 3.046 0 50 IGAA COc1cccc(-n2cc(CNCc3c(C(=O)N(C)C)nc4ccc(Cl)cn34)cn2)c1 19226887 JUXREEKKEQSOCU-UHFFFAOYSA-N 438.919 3.174 0 50 IGAA c1cc2c(cc1CN1CCN([C@@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)CC1)OCO2 19770586 FJCXVTYIJPQXGJ-HSZRJFAPSA-N 435.568 3.132 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 19884347 SAYCNTJYNINOMG-LJQANCHMSA-N 425.602 3.499 0 50 IGAA O=S1(=O)C[C@H]2CN[C@H]1[C@@H]1[C@@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 216546984 FEFYYVWOHFNCLG-LQHRYAOZSA-N 429.541 3.424 0 50 IGAA Cc1ccc(F)c(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1Br 225623238 YSEAGFAGMXDJBJ-HNNXBMFYSA-N 438.219 3.200 0 50 IGAA CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3ncnn3c2=O)cc1 254491404 LIOPELJGVJNHLR-UHFFFAOYSA-N 429.505 3.340 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)C1=O 772538788 AGHIIODSNURKDC-UCXAEWMPSA-N 439.515 3.451 0 50 IGAA CCCC(=O)c1cn(CC(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c2ccccc12 1704326519 ZAVKPYDHJBSXNH-QPPBQGQZSA-N 426.513 3.088 0 50 IGAA Cc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896106 REIITQIHYAVLOE-FCHUYYIVSA-N 445.519 3.123 0 50 IGAA COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)c1OC 3009012 WMCJKVCEENFEOU-UHFFFAOYSA-N 447.900 3.224 0 50 IGAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OCC)cc1 3627062 DKIXTFCLUSBWSK-HXUWFJFHSA-N 434.514 3.017 0 50 IGAA Cn1nc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)ccc1=O 11765905 ZZXGSEQQYBEHIU-AWEZNQCLSA-N 436.434 3.070 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCCCCC3)cc(-n3cnnn3)c2)c(OC)c1OC 11782345 PSJUEOQBSQCJHJ-UHFFFAOYSA-N 437.500 3.371 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(Cc3cccn3-c3ncccn3)CC2)O1)c1cccc(F)c1 11995646 HWZCLCZVFKYOHO-QFIPXVFZSA-N 449.530 3.350 0 50 IGAA CN(C[C@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O 12325501 MPVZYEJUIKPGFQ-DVECYGJZSA-N 440.565 3.363 0 50 IGAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCOCC1)C2 14536845 REJKFDLTPRCULV-OAQYLSRUSA-N 436.600 3.242 0 50 IGAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)Cc4ccsc4)[nH]c3=O)nc2s1 15072718 TYIBBLCUXNFVFK-UHFFFAOYSA-N 427.555 3.016 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cc(F)ccc1F 169764765 IBPORYSKJMNUSW-GOSISDBHSA-N 433.798 3.134 0 50 IGAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 170629245 SMSQCNRMPAHVFM-AWEZNQCLSA-N 445.379 3.304 0 50 IGAA Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 239672568 BTXDLXRFQDMOMT-UWWQBHOKSA-N 428.562 3.030 0 50 IGAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN21 248339937 UFUMDZQDAJGBOA-RAZUEPIFSA-N 435.911 3.388 0 50 IGAA Cc1ccc(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)nc(O)c34)CC2)c(C)c1 263617180 MNKAJOXAPFYHTB-UHFFFAOYSA-N 428.496 3.076 0 50 IGAA O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 460669062 CZKAHJBQUBPDHW-QGZVFWFLSA-N 449.511 3.451 0 50 IGAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)c1 463774457 IEQURKMCFGSFFC-HXUWFJFHSA-N 438.908 3.419 0 50 IGAA COc1cc(Br)cc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 479559818 SJHBUYXKDJLXOX-UHFFFAOYSA-N 426.292 3.236 0 50 IGAA O=C(N[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1)c1ccccc1 486185717 LRWYCFPKNQZOIH-UNMCSNQZSA-N 434.467 3.357 0 50 IGAA COc1ccc2c(C)c(C(=O)N3CCO[C@H](CO)[C@H]3c3ccc(OC)c(OC)c3)oc2c1 1529158652 HPZWBOPRGYEWIO-FGZHOGPDSA-N 441.480 3.342 0 50 IGAA O=C(CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1)NC[C@H]1CCCO1 1772500821 MNRLQSHAJZQCJN-HSZRJFAPSA-N 447.579 3.363 0 50 IGAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)Cc1cncnc1 1875260250 RDMWDMBTPKIXIE-UHFFFAOYSA-N 431.495 3.168 0 50 IGAA NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)O1 1875261444 CCGRKDVRNCCVRM-BZSNNMDCSA-N 439.409 3.266 0 50 IGAA Cc1ccccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O 8435558 PXUHZBBPBOOCRT-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C3CSCCSC3)CC2)c1 12314177 JMUKSQDSUJFISL-UHFFFAOYSA-N 437.675 3.012 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(CC)C1=O 14882501 CJSPTMPIVVRHKC-LAUBAEHRSA-N 440.462 3.140 0 50 IGAA Cc1nn(CC(=O)NCCn2cc(Cl)cn2)c2nc(C3CC3)cc(C(F)(F)F)c12 20602527 OSVRVZOFQZINNW-UHFFFAOYSA-N 426.830 3.302 0 50 IGAA O=C(NCc1cccnc1)[C@@H]1C[C@H](NCC2CCCCC2)CN1C1Cc2ccccc2C1 23361096 WQCGSTZIXDZIFN-AHWVRZQESA-N 432.612 3.478 0 50 IGAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 33318288 NEARWJQONMLYBX-UHFFFAOYSA-N 429.952 3.400 0 50 IGAA COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)c2)cc1 239309905 HXPJLVBBCSIKNM-KNPYFFGGSA-N 443.455 3.250 0 50 IGAA CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4CCCN4Cc4ccccc43)cc2C[C@@H]1C 241124267 JGVCXIXACNVMLQ-OXJNMPFZSA-N 425.554 3.157 0 50 IGAA CC[C@H]1CN(CCNC(=O)c2ccc(N3CCCC3=O)cc2)Cc2cc(OC)ccc2O1 299759761 MYLAZRGHIWCJDO-NRFANRHFSA-N 437.540 3.225 0 50 IGAA Cc1noc(C[C@H](NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)n1 429550862 WCLUJAWVPARZEK-NRFANRHFSA-N 439.947 3.254 0 50 IGAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)C1 825520482 AWPZTFMIXGVPSN-VIFPVBQESA-N 432.358 3.299 0 50 IGAA CC(C)Cn1c([C@@H](C)NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886025638 PBIQZMUCBWTHNI-BEFAXECRSA-N 433.512 3.010 0 50 IGAA COc1ccc(CCN(Cc2ccccc2F)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 952977126 SKZOAPNUODCMNU-GOSISDBHSA-N 434.533 3.023 0 50 IGAA COc1ccc(C(=O)[C@@H](NCCn2cnc3ccccc32)c2oc(C)cc(=O)c2O)cc1 1776111870 VLAMZJDUXOCBAF-OAQYLSRUSA-N 433.464 3.226 0 50 IGAA O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncn(Cc2cccc(F)c2)n1 1857530063 MPAQFUFNTVWKCQ-UHFFFAOYSA-N 436.896 3.312 0 50 IGAA Cc1c(C(=O)NC2C[C@@H]3CN(C(=O)c4scnc4Cl)C[C@H]3C2)sc2nccn12 2325876084 KIYCCZYTPVWSBL-GHMZBOCLSA-N 435.962 3.095 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2cccc(Cl)c2)cc1 1147261 UFJZGYOZUIJVFO-IBGZPJMESA-N 436.961 3.135 0 50 IGAA CCCC[C@@H]1CN(CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1 12244944 ABIKKFOJLGOHTO-LJQANCHMSA-N 434.540 3.383 0 50 IGAA CC[C@H](C)CC(=O)N1CCC([C@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 14879180 PTSNDHCTHTXKMK-NYHFZMIOSA-N 434.606 3.369 0 50 IGAA CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 19898279 AQGNAWPCVFCZDK-SFTDATJTSA-N 442.512 3.078 0 50 IGAA O=C([C@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2)N1CCN(Cc2ccccc2)CC1 20911959 OQEHLEZKEZPNKY-UEQSERJNSA-N 433.596 3.172 0 50 IGAA O=C(OCC(=O)c1cccs1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239302509 FJKXRGSDWAUEKN-XYNCURNNSA-N 433.485 3.345 0 50 IGAA CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)Nc2nc3c(s2)Cc2ccccc2-3)C1 1875263122 UURVOUQINFWCMZ-HIFRSBDPSA-N 442.541 3.026 0 50 IGAA Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2ccc(C3CCC3)cc2)cc1C 1875388266 TWNLQWRJEZDYPM-FYYLOGMGSA-N 442.581 3.011 0 50 IGAA O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@@H]1CCCc2ccccc21 2325826280 WJZSKWKAYPAIEU-FBCSTPJJSA-N 437.584 3.019 0 50 IGAA CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 664383 FMDKGHIESBEKQS-UHFFFAOYSA-N 430.313 3.211 0 50 IGAA CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 708945 ZBRLRCLKNQNAIQ-HXUWFJFHSA-N 441.484 3.378 0 50 IGAA O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccc(I)cc1 2894570 HALFNQUPLKXGGS-UHFFFAOYSA-N 433.139 3.454 0 50 IGAA COCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 2960993 ZKTHRGHZKPBENB-UHFFFAOYSA-N 431.341 3.341 0 50 IGAA Cc1cccn2cc(CNC(=O)c3cn(CC(C)C)cc(C(=O)N4CCCCC4)c3=O)nc12 11784796 YJVKBYKOVVBCPI-UHFFFAOYSA-N 449.555 3.017 0 50 IGAA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12024132 WFZLRXGAUPMBMX-FQEVSTJZSA-N 435.568 3.075 0 50 IGAA COc1ccc(CCC(=O)NC[C@@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1OC 12038155 PGGKPXORRORECB-SFHVURJKSA-N 437.471 3.352 0 50 IGAA Cc1noc(C)c1CC(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 12307474 ASGWCDMXTQILNE-UHFFFAOYSA-N 438.572 3.202 0 50 IGAA COc1ccc(OC)c(Cc2nnc(CCC(=O)NCCc3nc(C)c(C)s3)o2)c1 12432128 QDHNNHPGKYSMLZ-UHFFFAOYSA-N 430.530 3.042 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 12707877 YDPIIUXIXTYWGZ-INIZCTEOSA-N 433.940 3.378 0 50 IGAA CCN1CC[C@H](CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1 19301044 YDIKQEIDVUYZPY-OAQYLSRUSA-N 432.634 3.082 0 50 IGAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1C 55042428 YAMDQTSYSDNHAM-NRFANRHFSA-N 438.572 3.235 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)C4(c5ccccc5)CC4)CC3)n[nH]c2=O)cc1 169777368 XHXYSPUFRVKEAK-UHFFFAOYSA-N 432.524 3.066 0 50 IGAA CON(C)C(=O)C[C@@H](O)C[C@H](CCOCC[Si](C)(C)C)OCOCc1ccccc1 169834468 PXSBIFJYRVJLDA-SFTDATJTSA-N 441.641 3.452 0 50 IGAA O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ncccc1Br 170619068 AQPPVXABLOMYLZ-UHFFFAOYSA-N 429.318 3.383 0 50 IGAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2cn3c(C)csc3n2)cc1 299766524 DSJJIZMQSSGMED-LJQANCHMSA-N 426.542 3.162 0 50 IGAA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N2CCOC(C)(C)C2)c1 729317028 MLYIFKAQTZHAKR-HNNXBMFYSA-N 432.517 3.217 0 50 IGAA Cc1ncsc1COCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(C)(C)C)s1 2325828135 ZVEVZYCHBGUZJG-ZIAGYGMSSA-N 436.603 3.189 0 50 IGAA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(I)c2)NC(=O)N1 812827 GDKHYANCDJODHO-HNNXBMFYSA-N 426.254 3.405 0 50 IGAA CC[C@@H](C)Nc1nc(NC(C)C)nc(Oc2ccc(C(=O)O[C@@H](C)C(=O)OC)cc2)n1 1166624 LMJPBQIILSUGRH-KGLIPLIRSA-N 431.493 3.413 0 50 IGAA CC[C@@H]1CCCCN1C(=O)Cn1c2ccc(OC)cc2c2nc3n(c(=O)c21)CCS3 1427779 ICAQBJFZXJEZQW-CQSZACIVSA-N 426.542 3.257 0 50 IGAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)CC1 12079785 YJVITWAGTIGJRH-KRWDZBQOSA-N 442.585 3.199 0 50 IGAA Cc1cc(=O)c(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)c[nH]1 12711718 MQOYVRYGVDPERO-OAQYLSRUSA-N 441.547 3.356 0 50 IGAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 19644967 INOGNAOBZREAQB-JOCCRWCTSA-N 446.569 3.175 0 50 IGAA O=C(/C=C/c1ccncc1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19836045 WGVVCNGKLNNMON-GVODCENMSA-N 446.595 3.458 0 50 IGAA O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20254768 BOMKMRUKEWUAQU-UHFFFAOYSA-N 429.325 3.229 0 50 IGAA CN(c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1)S(C)(=O)=O 67613611 RDKMVTLWAGTRNB-UHFFFAOYSA-N 435.933 3.224 0 50 IGAA C[C@H]1CN(C(=O)CCn2c(S)nnc2-c2cccs2)C[C@H]1NC(=O)OC(C)(C)C 225500286 CFGHSBKHRVOWGI-QWHCGFSZSA-N 437.591 3.057 0 50 IGAA CC(C)c1ccc(N2C(=O)[C@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)N=C2O)cc1 252488718 IXLFYPLDMWWGNU-WWEVIYMKSA-N 427.545 3.373 0 50 IGAA COc1ccc(N2C(=O)[C@@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)N=C2O)cc1 252493959 NHJCFFFZQILWGN-QUCCMNQESA-N 435.484 3.104 0 50 IGAA CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3ccccc3-n3cnnn3)c2F)C1 253416447 YBBFZYYLWDYYTK-UHFFFAOYSA-N 438.463 3.347 0 50 IGAA Cc1ncsc1CN1C[C@@H]2CN(Cc3nc(-c4cccs4)oc3C)C[C@@]2(CO)C1 1772804258 KPBLOSZATOXVMW-KKSFZXQISA-N 430.599 3.403 0 50 IGAA Cc1c(Cl)ccc2c(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4)cc(-c3ccco3)nc12 1857710499 ZYDACQMZYWPCDO-KGLIPLIRSA-N 425.872 3.044 0 50 IGAA COc1cccc([C@H](NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)c2cccnc2)c1 1875258181 WOFJANCZKCZGEN-PWRODBHTSA-N 435.505 3.000 0 50 IGAA Cc1cc(Br)ccc1NCC(=O)N[C@H](CO)[C@H](O)c1ccc(Cl)cc1 2325861476 RHHYKTDFBPSKTN-SJLPKXTDSA-N 427.726 3.034 0 50 IGAA COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 1077712 GSFORJWMRRDPGF-AWEZNQCLSA-N 425.514 3.046 0 50 IGAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 2836305 RYKWDGJZSOQSOF-UHFFFAOYSA-N 440.525 3.415 0 50 IGAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 2861839 ANNZORYTWNLPMI-UHFFFAOYSA-N 440.525 3.415 0 50 IGAA Cc1ccc(C[C@@]2(CCC(=O)N3CCN(C(=O)c4cccs4)CC3)CCC(=O)N2)cc1 12190111 RUWWZAKFIJHVFE-DEOSSOPVSA-N 439.581 3.013 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 12283716 JHBSBNRVBMTBIR-GWNIJSOBSA-N 437.588 3.090 0 50 IGAA Cc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ncccn3)CC2)cc1 15017767 XHSKEEXDYFHEEU-ILBGXUMGSA-N 441.535 3.373 0 50 IGAA O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCN(Cc2ccccc2)CC1 16661393 SRASCNUUNNXYIJ-UHFFFAOYSA-N 430.533 3.381 0 50 IGAA CCOC(COCCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21)OCC 170614326 USCIVVAGPPOKSE-UHFFFAOYSA-N 441.528 3.147 0 50 IGAA CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)c1nc2ccccc2[nH]1 206242059 CGDOKFAPPCBMNJ-ZUOKHONESA-N 434.475 3.445 0 50 IGAA O=C(NC1CCCCC1)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)sc2c1CCCC2 239212616 TULIWUOUFAKZAJ-OHDICMOHSA-N 428.554 3.356 0 50 IGAA O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)N1CCN(c2ccncc2)CC1 299767806 URZDIDGRMBRQRF-QHCPKHFHSA-N 434.565 3.428 0 50 IGAA O=C(c1ccc2nn[nH]c2c1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857699213 IDMRRQRLLYQJET-HXUWFJFHSA-N 447.539 3.197 0 50 IGAA O=C(CCCn1cncn1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857704465 SQVZERFIHYQOAM-QFIPXVFZSA-N 425.577 3.157 0 50 IGAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCc3cccc(Cl)c3)CC(=O)N2[C@H]1c1ccccc1 1875247267 IAIOAVIAVGRMEW-JTAQYXEDSA-N 440.927 3.246 0 50 IGAA CCC[C@@H](C)C(=O)N(Cc1ccc(F)cc1)Cc1cn(-c2cncc(C(=O)O)c2)nn1 1875326821 NXEBKZBNLPPQCF-OAHLLOKOSA-N 425.464 3.465 0 50 IGAA Cn1ccc([C@H](c2ccc(F)cc2)N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)n1 2325746394 KHYFYYXFRDWLEY-QFIPXVFZSA-N 447.514 3.235 0 50 IGAA O=C1c2ccccc2C(=O)N1CN(Cc1cccs1)CN1C(=O)c2ccccc2C1=O 1158760 UOLSQXMTZLOSCT-UHFFFAOYSA-N 431.473 3.058 0 50 IGAA COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 4199867 QABDYBBDOBGSCI-UHFFFAOYSA-N 438.571 3.085 0 50 IGAA CCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2COC)(c2cccc(C(F)(F)F)c2)C1=O 11840018 FOSZTAKKFIHUEF-UTKZUKDTSA-N 440.462 3.140 0 50 IGAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cnn(C(C)C)c2)CCO3)C1 11969619 OQEZYFTZFXROSL-FQEVSTJZSA-N 426.561 3.357 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)NCc1ccccc1Cl 12588940 XLXMDPNMJIZHRM-SFHVURJKSA-N 433.980 3.378 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccc(Cl)cc1)C2 14533215 JOOUYDDBRKZQOT-FQEVSTJZSA-N 445.007 3.355 0 50 IGAA O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 15856094 OWDBMNUBOQKUNX-UHFFFAOYSA-N 439.531 3.111 0 50 IGAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n1 33326815 BANHBVTVKLYJRX-UHFFFAOYSA-N 432.528 3.129 0 50 IGAA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@]21C(=O)N1CCOCC1 229985291 NJESEIRNEWVGCI-WUMKDDEVSA-N 439.895 3.481 0 50 IGAA CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)n[nH]1 242273718 YFKPVZVQCJMSNA-VVLHAWIVSA-N 447.605 3.476 0 50 IGAA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1[C@H]1C(=O)N(CCO)C(=O)[C@H]13 252694691 OIKFDHXDOGJMOI-LTJKREJGSA-N 443.584 3.490 0 50 IGAA biogenic COc1ccc(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)cc1Br 463632380 XYGKPTNQSXNBKC-LJQANCHMSA-N 437.309 3.287 0 50 IGAA COC(=O)C1CCN(C(=O)[C@H](OC(=O)c2cccc(OCC(F)(F)F)c2)C(C)C)CC1 770134688 NDUGFVGMGYTQAK-QGZVFWFLSA-N 445.434 3.221 0 50 IGAA Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(S[C@H]4CCOC4=O)cc3)CC2)c1 771830970 FDAWLDSBEDRTTA-FQEVSTJZSA-N 439.537 3.393 0 50 IGAA CCCC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)cc2)c1 952992126 ZEOFILRSLKFBBR-JOCHJYFZSA-N 436.556 3.371 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(c3ccccc3C)CC2)C1 1857685822 VSYCXTIADOMFOG-OTNCWRBYSA-N 425.617 3.313 0 50 IGAA Cc1c(Cl)c(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2coc(-c3ccccc3)n2)nn1C 1857687671 YUUWUXJCKSYNEF-IRXDYDNUSA-N 439.903 3.053 0 50 IGAA COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1Cl 2814591 QVHQGPIERJUMLM-UHFFFAOYSA-N 435.011 3.297 0 50 IGAA Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1F 6444343 GOHMGZZDDFSFAM-UHFFFAOYSA-N 427.505 3.189 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cnn3cccnc23)C1 11839246 PKTVBOVVJWMOGM-JOCHJYFZSA-N 426.904 3.411 0 50 IGAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CC3CC3)C2)c1 14532725 COAUCOKOMNPKDS-XMMPIXPASA-N 436.552 3.294 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 18271079 GFHLFZXXDFZLMR-UHFFFAOYSA-N 444.944 3.358 0 50 IGAA COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1OC 23373041 IEUALMVDNSCIPW-OAQYLSRUSA-N 425.573 3.499 0 50 IGAA O=C(NCc1cccnc1)C1CCN(C2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 55228650 DVENHASAJXCKAH-UHFFFAOYSA-N 434.584 3.009 0 50 IGAA O=C(Cc1ccc(Br)cc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 221645082 NJTVXUCQMUMIAK-UHFFFAOYSA-N 441.329 3.272 0 50 IGAA COC(=O)COc1ccc(C(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)cc1OC 328591636 CFHRJZAISZQVML-QGZVFWFLSA-N 446.569 3.211 0 50 IGAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3cccc4c3ccn4C)C2=O)cc1 334161618 FFNCRUMRJIWVAH-HXUWFJFHSA-N 434.496 3.069 0 50 IGAA Cc1cc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)ccc1F 435125916 HTKCEVKJUCONKG-KRWDZBQOSA-N 448.564 3.343 0 50 IGAA CCc1cc(C(=O)N2CC[C@@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)cc(O)n1 952895341 ZYFXENPXRSHLJB-LJQANCHMSA-N 433.390 3.141 0 50 IGAA CCOC(=O)[C@@H](C)CNC(=O)c1cc(-c2cccnc2)nc2nc(N3CCCC3)sc12 1875263700 WWVXUBGHOKKZBN-AWEZNQCLSA-N 439.541 3.283 0 50 IGAA Cc1cc(F)ccc1C[C@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(=O)O 2325850674 FGRPPECGDCRIMJ-QGZVFWFLSA-N 425.460 3.329 0 50 IGAA COc1ccc(C(=O)Oc2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2)cc1 904566 RAIAYWHMAABJGI-UHFFFAOYSA-N 443.459 3.343 0 50 IGAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC(C)C)cc1Br 1129650 OEFOGKSGWJXPRM-INIZCTEOSA-N 427.295 3.436 0 50 IGAA COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)O)c1 3874934 FFYNAVGJSYHHFO-OAQYLSRUSA-N 429.513 3.197 0 50 IGAA world CCN(CC)[C@H]1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)C1 12149225 GEXOSBIBNYHKHM-FQEVSTJZSA-N 444.620 3.123 0 50 IGAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN=C1c1ccccc1 13536780 DZHDHAJSPBXVPP-BDTNDASRSA-N 429.520 3.062 0 50 IGAA COCCCNC(=O)c1nn(C)c2c1CN(C(=O)c1ccccc1-c1ccccc1C)CC2 14742218 CMXWXGKXNOVYEX-UHFFFAOYSA-N 446.551 3.360 0 50 IGAA Cc1ccc(C)c(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(c3ccccn3)CC2)c1 14886600 CCTSHORHHXUSSS-JOCHJYFZSA-N 432.568 3.290 0 50 IGAA CN1CCC(N2CCC(Oc3cccc(C(=O)NCCc4cscn4)c3)CC2)CC1 19113663 ZFTSDVPEAXHWDN-UHFFFAOYSA-N 428.602 3.053 0 50 IGAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NCc2ccco2)C1 19647444 DMUNNBZMITZNAH-CYBMUJFWSA-N 448.541 3.462 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 20601029 UNKZGFWTTIKYJJ-CTNGQTDRSA-N 437.918 3.114 0 50 IGAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCCC3CCCC3)cc2OC)CC1 22919453 JIVQPEAIKVUNPU-HSZRJFAPSA-N 433.637 3.132 0 50 IGAA CCNC(=S)N(Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100578684 IUPXMNMXOSWGEE-GOSISDBHSA-N 431.945 3.377 0 50 IGAA COc1cc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(OC)c1OC 169759526 RRQMUGYROMJDMI-QGZVFWFLSA-N 440.475 3.250 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)c1nc2ccccc2[nH]1 252500576 SYDACWUKSPDYOF-ZSOFBXJNSA-N 443.573 3.253 0 50 IGAA CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C 252522866 BIHHTKSELLJWDS-CRAIPNDOSA-N 426.542 3.125 0 50 IGAA O=C1N[C@H](CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)C(O)=Nc2ccccc21 252527899 DPRVIEIJLMKGRV-HSZRJFAPSA-N 442.519 3.274 0 50 IGAA COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 257499978 OBSYBRPAKCASQB-VEDQBHKXSA-N 432.469 3.000 0 50 IGAA in-vitro COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)O3)c1 299772090 XRQZMOSQQZBDOM-IBGZPJMESA-N 438.867 3.161 0 50 IGAA COC(=O)[C@H](NC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2)C(C)C 334161997 LZEZEWHZDQVOAX-OAZIQKMDSA-N 447.528 3.265 0 50 IGAA CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(N2CCOCC2)cc1 731576882 IUMPEERAPBXFKH-UHFFFAOYSA-N 436.487 3.263 0 50 IGAA CCCOC(=O)c1cc(-c2cncnc2)ccc1N/C=C1/C(=O)NC(=O)c2ccccc21 747689982 CFDKOPYZXYEFBS-DEDYPNTBSA-N 428.448 3.433 0 50 IGAA COCCN(CCOc1ccccc1F)Cc1cccc(OCCN2CCOCC2)c1 952974944 VVHAMRUWCAJHRU-UHFFFAOYSA-N 432.536 3.064 0 50 IGAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)ccc21 952983582 WBMNUFMBFIJCRV-UHFFFAOYSA-N 433.487 3.229 0 50 IGAA Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)C2)c1 1356023025 CPFPICKGDVXAJF-JXQFQVJHSA-N 449.551 3.362 0 50 IGAA C[C@@H](Cn1cnnc1)NC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1875261938 QUHQOYPSDSYTDI-AVRDEDQJSA-N 438.963 3.437 0 50 IGAA O=C(c1cc(Oc2ccccc2)ccc1O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 2325841441 VHXKLCCABVVJHJ-ILBGXUMGSA-N 430.504 3.428 0 50 IGAA CC1(C)CC[C@H](C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)C45CC(C4)C5)CC3)C2)C1 2332238285 KDPKGDJEBJINGL-CGAQCYKOSA-N 436.618 3.435 0 50 IGAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 12128988 POTRYSAVILWPNO-KRWDZBQOSA-N 439.947 3.246 0 50 IGAA Cc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)NCCN(C)C)nn3)CC2)cc1 12191702 RGKGSYFXCLJUFH-UHFFFAOYSA-N 446.599 3.382 0 50 IGAA O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55183100 MTMMDFZGAYMWAZ-NRFANRHFSA-N 425.504 3.024 0 50 IGAA COc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2-n2cncn2)cc(OC)c1OC 64553708 OJZSPKKXYGZDRQ-UHFFFAOYSA-N 437.481 3.230 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 76882969 FOBDFBNYWFOKPP-HXUWFJFHSA-N 430.545 3.116 0 50 IGAA COC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)cc1 239235748 WPTCZOHWTAYUNS-PCPGVINSSA-N 443.455 3.250 0 50 IGAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 242305008 YUAAPMQCVYTONT-DKIMLUQUSA-N 426.542 3.137 0 50 IGAA CCOC(=O)c1cn(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2cc(F)c(OC)cc2c1=O 253433217 UDODMXWWCWHXNY-VGWMRTNUSA-N 444.503 3.267 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)c2c1 460968660 IVRUUWYGOQCZFF-OAQYLSRUSA-N 443.569 3.376 0 50 IGAA COCCN1CCC(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704337711 CDUAYWZODGXFTC-SANMLTNESA-N 434.584 3.308 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3nc4ccc(F)cc4[nH]3)CCSCC2)o1 1776111304 NDVFCRSZEQXKNF-UHFFFAOYSA-N 431.489 3.141 0 50 IGAA CN1CCN(c2ncc(C(=O)N[C@H](c3ccccc3)c3nc4ccccc4n3C)s2)CC1 2325737066 BPJPWGDQVDIMJR-OAQYLSRUSA-N 446.580 3.301 0 50 IGAA CCc1nc(S(=O)(=O)NC(=O)c2nc(-c3ccccc3F)oc2C)cn1CC1CC1 2325862541 XYEXQFGSFTZXSY-UHFFFAOYSA-N 432.477 3.077 0 50 IGAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1C 1116821 AHCWKONWQKSZRX-UHFFFAOYSA-N 439.449 3.451 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)C1 12149224 GEXOSBIBNYHKHM-HXUWFJFHSA-N 444.620 3.123 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O 14533058 SQIXUQCQRUTZBU-UHFFFAOYSA-N 449.551 3.067 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N[C@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1 14998661 RXXRHSSUETZKOW-RTWAWAEBSA-N 435.446 3.482 0 50 IGAA COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(Cc1ccccc1)CC2 20997955 VJSAYTRJUCROJF-UHFFFAOYSA-N 436.483 3.411 0 50 IGAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3cccc(Cl)c3)n2)CC1 54274351 KCGKJVXDLBURNB-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1N(C)S(C)(=O)=O 65363779 WTBGRJDQWDWUCO-UHFFFAOYSA-N 431.558 3.116 0 50 IGAA O=C(NCc1ccc(F)cc1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169779630 CYXSVMQXXAHJIK-UHFFFAOYSA-N 430.483 3.492 0 50 IGAA C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@]2(CCCOC2)O1 225471328 QNAYRCLPYYPBPP-XOBRGWDASA-N 426.435 3.242 0 50 IGAA CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)c1 236619517 XQUUFZMLNLSZQB-SFHVURJKSA-N 444.285 3.315 0 50 IGAA Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)[nH]c2c1 490352615 ACGPOYQDCSOSPT-JOCHJYFZSA-N 447.539 3.390 0 50 IGAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)ccc1O 912982 MJZCHUYGOTXWQZ-RVKKMQEKSA-N 444.793 3.158 0 50 IGAA CC[C@H](C)Nc1nc(NC(C)C)nc(Oc2ccc(C(=O)O[C@@H](C)C(=O)OC)cc2)n1 1166625 LMJPBQIILSUGRH-KBPBESRZSA-N 431.493 3.413 0 50 IGAA Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 8584745 UZNLRFZTNSHGJH-HXUWFJFHSA-N 442.562 3.004 0 50 IGAA COc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)cc1 11965326 NTSAFZOVOIVZBR-VWLOTQADSA-N 437.540 3.079 0 50 IGAA CCOC(CCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O)OCC 15919357 XHICJUJSRXOQAV-UHFFFAOYSA-N 433.574 3.337 0 50 IGAA CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1 20780678 UONFWKJEQRXYKB-UHFFFAOYSA-N 447.583 3.230 0 50 IGAA Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)s1 23128743 UDIDIYNEOAIWKK-UHFFFAOYSA-N 440.525 3.112 0 50 IGAA O=C(NCc1ccccc1Cn1cccn1)c1cc(=O)c2cc(Br)ccc2[nH]1 170626249 VQOLIEPUXYYBEH-UHFFFAOYSA-N 437.297 3.465 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1)C(=O)OC 252517582 MAMLAFKJESIHIL-BJOOFOGMSA-N 449.349 3.417 0 50 IGAA Cc1cc(O)c([C@@H](CC(=O)NCCc2ccc(F)cc2)c2ccc3c(c2)OCO3)c(=O)o1 253471167 NCHDHXGBMYAXLK-SFHVURJKSA-N 439.439 3.403 0 50 IGAA CC(=O)O[C@@H]1CC[C@]2(C(=O)O)[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@H]3CC[C@]2(O)C1 257350226 VRNKAZNHDYUPQK-ICBGRCSXSA-N 444.524 3.160 0 50 IGAA Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 408518442 IDIDUPLEBVLQML-UHFFFAOYSA-N 425.919 3.038 0 50 IGAA CCN(CC)c1ccc(CNC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cn1 472808685 RTMKOKDDPGCTAL-UHFFFAOYSA-N 437.588 3.208 0 50 IGAA C[C@@H]1O[C@H](C)Cc2c(-c3nc(-c4nccn5nccc45)nn3CC3CC(F)(F)C3)n[nH]c21 1875348662 YJBUOGSXRRDSGY-NEPJUHHUSA-N 440.458 3.445 0 50 IGAA COc1ccc(OC)c(N2C[C@@H](C(=O)NCc3cccnc3OC3CCCC3)CC2=O)c1 1875390295 BLJDNBURDFTROB-KRWDZBQOSA-N 439.512 3.090 0 50 IGAA COC(=O)C1(C(=O)OC)[C@H](c2ccc(OC)cc2)CC(=O)C[C@@H]1c1ccc(OC)cc1 638816 RKFWOUJAFUYCGV-OYRHEFFESA-N 426.465 3.267 0 50 IGAA COC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(=O)cc(-c3ccccc3)oc2c1 2139190 NASAJDYEYOWSPU-ZIAGYGMSSA-N 426.421 3.341 0 50 IGAA biogenic O=C(NCc1nc2ccccc2[nH]1)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O 11784758 PNMGRDKJFAMEOE-UHFFFAOYSA-N 447.539 3.442 0 50 IGAA COc1ccccc1CC(=O)Nc1cnn(CC(=O)N[C@H](c2ccco2)C(F)(F)F)c1 12450657 FPEBLEPQXMFMSF-LJQANCHMSA-N 436.390 3.086 0 50 IGAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1cccc(OC)c1OC)C2 14748706 ZQNOWMMGTLQTAY-SFHVURJKSA-N 426.561 3.193 0 50 IGAA O=C(O)CCCC[C@@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1NC(=O)c1ccccc1 14987561 DOBCSAZFJKTPFM-DYXWJJEUSA-N 426.538 3.344 0 50 IGAA biogenic O=C1NC(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1Cc1ccccc1 16448705 KJWGJJGZLLRFDO-UHFFFAOYSA-N 428.492 3.307 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)CN1CCCc1ccccc1 19835746 AUMYETGJWKSCOX-HSZRJFAPSA-N 437.559 3.341 0 50 IGAA C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@H](c1ccccc1)N(C)C 170606618 BJDFDRUOCUMSMI-HTAPYJJXSA-N 438.553 3.304 0 50 IGAA CC(=O)N[C@](C)(C(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 225477197 XGNGGESYVQMALG-GYCJOSAFSA-N 438.549 3.472 0 50 IGAA CC(C)c1noc([C@]2(O)CCN(C(=O)c3nn(-c4ccccc4)c4c3CCCCC4)C2)n1 225532868 GOKPNWJUTUELCW-DEOSSOPVSA-N 435.528 3.381 0 50 IGAA COC(=O)[C@@H](CCSC)NC(=O)C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 299763655 QJIRXYPZHZGEDN-LJQANCHMSA-N 444.601 3.182 0 50 IGAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 409414872 QCPCYFLQYBYLOM-UZLBHIALSA-N 431.492 3.439 0 50 IGAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)C[C@H]1OCCc3ccccc31)CC2 431984294 GOUBQKOHKWKAAN-WOJBJXKFSA-N 425.481 3.308 0 50 IGAA COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1OCC(=O)N1CCOCC1 506162652 CQPKZCOQXDMWTH-UHFFFAOYSA-N 440.515 3.361 0 50 IGAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)C1 825520481 AWPZTFMIXGVPSN-SECBINFHSA-N 432.358 3.299 0 50 IGAA C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H]1CCC[C@H](c2cn(C3(C(=O)O)CC3)nn2)C1 1875357025 YGJAGOKPHPJEBV-KURKYZTESA-N 432.565 3.370 0 50 IGAA Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)c2ccccc12 1057566 WDMIFTCLUFZPDS-UHFFFAOYSA-N 444.539 3.216 0 50 IGAA O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1199625 RTVKRNIIEHSHCF-UHFFFAOYSA-N 444.940 3.405 0 50 IGAA Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N(C)Cc1c(Br)cnn1C 2802840 MUQKXPMOXWJFIN-UHFFFAOYSA-N 442.667 3.408 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1 3659223 BJCKKLXERBMNHP-MOSHPQCFSA-N 444.447 3.015 0 50 IGAA CO[C@@H](CNC(=O)Cn1cc(NC(=O)CSc2ccccc2)cn1)c1cccs1 11974085 HQZNNEACBMDVBW-KRWDZBQOSA-N 430.555 3.179 0 50 IGAA Cn1c(CCNC(=O)Cc2cccc(C(F)(F)F)c2)nnc1SC[C@@H]1CCCO1 14986946 WZKGKZGCVANAOQ-HNNXBMFYSA-N 428.480 3.006 0 50 IGAA COc1cc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)cc(OC)c1OC 169754180 QIXXGUNSIOWRIP-AWEZNQCLSA-N 428.514 3.173 0 50 IGAA CC[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)cc1 225833070 ZFMFQHXOZNGWBO-LJQANCHMSA-N 441.594 3.312 0 50 IGAA NC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCCCC2)cc(=O)c1O 253396298 AYUFARGKDUUQQP-MRXNPFEDSA-N 440.418 3.237 0 50 IGAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)n2)c1 428363211 PXOWLYAKOCAFHK-OAHLLOKOSA-N 443.511 3.102 0 50 IGAA COc1cc(I)c(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)O)cc1OC 432105821 FZVGNWDOTWLHKI-PIGZYNQJSA-N 447.269 3.072 0 50 IGAA O=C1Cc2cc(CCCC(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2N1 729350778 OZDGRSJUPSTXAY-UHFFFAOYSA-N 428.492 3.468 0 50 IGAA Cc1ccc(-c2ccc(C(=O)NC3CCN(C4CCS(=O)(=O)CC4)CC3)cc2)cc1 952870232 UISYJETZINMZIC-UHFFFAOYSA-N 426.582 3.433 0 50 IGAA Cc1noc(-c2ccc(S(=O)(=O)NCc3ccc(C(=O)N4CCCC4)cc3)o2)c1C 1506413624 JMIIBKFRQKJVLH-UHFFFAOYSA-N 429.498 3.266 0 50 IGAA O=C(NC[C@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CCO1)c1cc2ccccc2o1 1875329159 HWTJDKPDFHWJGA-QFIPXVFZSA-N 447.535 3.055 0 50 IGAA COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc1 799045 PZBAVFRGPOUBRQ-MRXNPFEDSA-N 430.526 3.172 0 50 IGAA O=C(Nc1ccc(I)cc1C(=O)NC[C@H]1CCCO1)c1ccco1 1108503 PWIYWWUJYCPWJA-GFCCVEGCSA-N 440.237 3.045 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(OC)n1 1436389 ILWSPHLJYOWJNU-UHFFFAOYSA-N 448.888 3.200 0 50 IGAA CC[C@H](C)OC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCC2 2803775 DMIGDPZKKDYKEH-ZDUSSCGKSA-N 442.603 3.192 0 50 IGAA CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 2861166 AJUBINPUFLDKMQ-UHFFFAOYSA-N 429.361 3.430 0 50 IGAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC[C@@H](CO)C1 12576948 MFXJMOOGECMHCT-HSZRJFAPSA-N 427.633 3.027 0 50 IGAA Cc1ccccc1-c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(N(C)C)n1 14997382 VKUHRKSYRJRXTE-UHFFFAOYSA-N 449.599 3.069 0 50 IGAA O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32072867 GQAFAPKBJIDAAD-MRXNPFEDSA-N 432.450 3.109 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 101326305 KRVRDNWUIPNHGW-WOJBJXKFSA-N 442.493 3.092 0 50 IGAA CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 225453306 OSXSYJVRGAVTDW-TZIWHRDSSA-N 439.560 3.229 0 50 IGAA COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](N3CCOCC3)C2)cc1Cl 229925882 HHHVMXNKRMBXKW-DENIHFKCSA-N 429.948 3.435 0 50 IGAA CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 229988221 FWCLZZAOSCRDSU-WIYYLYMNSA-N 433.524 3.320 0 50 IGAA COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)c1 239377950 OFABUOFVAURICK-RVKKMQEKSA-N 428.794 3.453 0 50 IGAA COc1ccc(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(OC)c1 263618963 WGYUQENVFHGHDA-INIZCTEOSA-N 435.528 3.480 0 50 IGAA Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)nnn1CC1CCCC1 468235840 UZICPFBFQFMTLL-HXUWFJFHSA-N 431.968 3.233 0 50 IGAA CCc1[nH]c(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c(C)c1C(=O)OC 477152699 PAZNFFWVPWZYGW-UHFFFAOYSA-N 447.289 3.415 0 50 IGAA Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1C 478154093 SPHGRQYOIGHUIW-INIZCTEOSA-N 431.432 3.069 0 50 IGAA COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)cc1Cl 1506420392 CGPWUIGFIJNDRF-CQSZACIVSA-N 430.357 3.340 0 50 IGAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(OCC(=O)N4CCCC4)cc3)C1)CC2 1704315337 ZYBZAEIXJXSOEQ-SANMLTNESA-N 449.599 3.024 0 50 IGAA CN(C(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704335467 AGEPVNJFWDZJLW-QLFBSQMISA-N 448.350 3.190 0 50 IGAA NC(=O)CSc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1 916373 HJNVDDAHDOCIOR-UHFFFAOYSA-N 433.331 3.245 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1cccs1 2492097 LAZYUSMLIZUMKZ-YPMHNXCESA-N 436.555 3.098 0 50 IGAA COC(=O)c1c(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)sc2c1CCCC2 2805416 VYVSKGRKBOXGBS-UHFFFAOYSA-N 447.542 3.081 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@@H](C)C2)cc1C 11566447 DQRPVDMXWOBBCL-IBGZPJMESA-N 436.599 3.004 0 50 IGAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C 12451138 FATSEVCNOABUIG-UHFFFAOYSA-N 436.560 3.450 0 50 IGAA COc1ccc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3ccoc3C)CC2=O)cc1 14530873 JXDDWTJXJZPIKK-QFIPXVFZSA-N 449.507 3.062 0 50 IGAA COc1ccc(CN2CCN(Cc3cccn3-c3nccs3)C[C@@H]2CCO)cc1C 19740972 NRFWOFBHVVNLDI-FQEVSTJZSA-N 426.586 3.320 0 50 IGAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2O)CN1C1Cc2ccccc2C1 64167006 RRABEFTXQUFPIG-CVDCTZTESA-N 430.504 3.059 0 50 IGAA O=C(NCCCOCC1CCOCC1)c1nc(Br)ccc1Br 170611194 GWAUQHYQFHZDNJ-UHFFFAOYSA-N 436.144 3.170 0 50 IGAA CS(=O)(=O)CC[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1C(=O)c2ccccc2C1=O 225525611 BJCKPOIGAMDWSX-MRXNPFEDSA-N 445.884 3.162 0 50 IGAA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)c(OC)c4)N(c4ccccc4)O[C@H]3C2=O)cc1 229983994 UVOPOOFLTDESHU-YTFSRNRJSA-N 446.459 3.461 0 50 IGAA Cc1ccc(O)c(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)n1 447633061 SYBFQQOCXNTBEC-UHFFFAOYSA-N 429.523 3.156 0 50 IGAA O=C(c1ccc2nn[nH]c2c1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857699212 IDMRRQRLLYQJET-FQEVSTJZSA-N 447.539 3.197 0 50 IGAA COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 1079315 SPZZEPBULDKLFY-SNVBAGLBSA-N 431.297 3.086 0 50 IGAA O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2 2865791 GNXKMALCUBFSCO-UHFFFAOYSA-N 449.492 3.483 0 50 IGAA CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccccc1 9410919 VQJKSHNLGWYYAF-HXUWFJFHSA-N 435.571 3.339 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11783113 IGSQZIGDOCHDAM-VGSWGCGISA-N 433.574 3.178 0 50 IGAA CCOC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CC1 11787763 XZYIIKPDVOLHSJ-VWLOTQADSA-N 437.540 3.112 0 50 IGAA CCN(CC)C[C@H](O)COc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)cc1OC 11820059 QSHMEYYZCQKNEA-IBGZPJMESA-N 430.593 3.011 0 50 IGAA O=C(NCCCn1cccn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12054390 PNSXBDSJINPFPZ-FQEVSTJZSA-N 430.556 3.252 0 50 IGAA O=C(Nc1ccnn1C1CCN(C(=O)c2csc3c2CCCC3)CC1)[C@H]1CCOC1 12583442 GLGBKHBTNQSBEC-HNNXBMFYSA-N 428.558 3.276 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 13739385 XXSFYXYFPKKBAM-ITICKHJUSA-N 438.936 3.452 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2 14539391 ISRMEKZBLAFEIW-OAHLLOKOSA-N 437.009 3.374 0 50 IGAA O=C(O)CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 14632676 CHIDDYZONKDHLG-UHFFFAOYSA-N 443.496 3.050 0 50 IGAA O=C(c1ccco1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 14978400 SCEVFPJPAPUHBZ-FQEVSTJZSA-N 425.504 3.005 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 15065411 RODKYDHJIMIOLR-DEOSSOPVSA-N 449.595 3.429 0 50 IGAA COCCn1c(CN2CCCC[C@H]2CCCO)cnc1S(=O)(=O)C1CCCCCC1 15068635 VWCRVHSCJPKLSV-IBGZPJMESA-N 441.638 3.153 0 50 IGAA COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1 20119240 LRVCLHASEWZTEJ-OAQYLSRUSA-N 425.573 3.499 0 50 IGAA CCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1 22258059 VKSPXHQQKHSMQO-ZHZULCJRSA-N 435.505 3.470 0 50 IGAA O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cn(Cc2ccccc2)nn1 225740602 RBSZEFAGAMMUEE-UHFFFAOYSA-N 439.273 3.069 0 50 IGAA Cc1nc(CN2CCN(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CC2)n[nH]1 497679970 VENIGGOFVUWSPG-UHFFFAOYSA-N 434.504 3.107 0 50 IGAA Cc1nc(C(=O)N2C[C@H]3CN(C(=O)Nc4c(C)cccc4Cl)C[C@]3(CO)C2)cs1 1772811135 QAZHNUQYOOPABF-XOBRGWDASA-N 434.949 3.012 0 50 IGAA COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)N=c2cc(C)n(Cc3ccccc3)[nH]2)C1 1875337115 UBHUTHYVAUKFIX-YADHBBJMSA-N 432.524 3.472 0 50 IGAA O=C(Nc1n[nH]c(N2CCOCC2)n1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 1875352313 BGMPVRVQVFCGNJ-UHFFFAOYSA-N 449.902 3.400 0 50 IGAA Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875372931 PZNXGRLBODDLPH-CYBMUJFWSA-N 449.838 3.026 0 50 IGAA COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3cccnc3)C(=O)[C@@H]12 842041 YFQQDGIOGNNYHE-KWMZMRFFSA-N 440.499 3.247 0 50 IGAA Cc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc23)cc1S(N)(=O)=O 873260 LEAXYXIYIYPARN-UHFFFAOYSA-N 433.493 3.095 0 50 IGAA O=C(N/N=C/c1cc(I)ccc1O)c1cc(-c2ccccc2)n[nH]1 1209506 WEBZRGIHXYGFSI-VXLYETTFSA-N 432.221 3.151 0 50 IGAA Cn1ccc(C(=O)Oc2ccc(C(=O)Nc3ccc(I)cc3)cc2)n1 1428183 CLYPWHGPRPFUAA-UHFFFAOYSA-N 447.232 3.496 0 50 IGAA COc1ccc(CCNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1OC 3105078 OMBXIEIGDRECNY-UHFFFAOYSA-N 437.492 3.427 0 50 IGAA Cc1ccn(-c2ccc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)nn2)n1 13009160 UJFOJUUBRMUMNK-UHFFFAOYSA-N 431.422 3.344 0 50 IGAA CC(C)[C@@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)O 13550477 MOEKOUAXLWEPGK-XCMFGDQWSA-N 445.313 3.445 0 50 IGAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1nccs1)CC2 14534581 YZTPCROYBCDXOG-UHFFFAOYSA-N 441.601 3.426 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(O[C@H](C)C(=O)OCC)cc1 16361881 DHLBDASZBHUOFY-QVKFZJNVSA-N 438.480 3.345 0 50 IGAA CCn1c(COc2ccc(OC)cc2)nnc1SCc1cc(=O)n2ccsc2n1 17096553 MEBAQKYCCWUQSB-UHFFFAOYSA-N 429.527 3.247 0 50 IGAA Cc1ccc(CNC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CC[C@@H](C)C3)cc1 17097017 PQGOXFUJOMWBQU-CQSZACIVSA-N 430.526 3.151 0 50 IGAA COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(Br)ccc3OC)CC2)c1 19831507 WTYYLRQZLXPSLL-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 170606122 XJLVBEJGGDSBOL-FCEUIQTBSA-N 447.595 3.150 0 50 IGAA COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c2)cc1 239164793 MXPJBCSKVPHJGA-PCPGVINSSA-N 442.471 3.283 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)CC2)cc1 247901513 FUJPUWGQPGSJGW-MSOXQGRFSA-N 432.586 3.037 0 50 IGAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 824091042 SDCMBACPSLLDTM-IBGZPJMESA-N 425.533 3.147 0 50 IGAA CC[C@](C)(CC(=O)N[C@@H]1CCN([C@@H](C(=O)O)C(C)C)C1=O)Cc1nc2ccccc2s1 1875262396 QXHADNKZLROPHB-AYPBNUJASA-N 445.585 3.472 0 50 IGAA O=S(=O)(NC[C@H](CCO)c1ccncc1)c1ccc(OCc2ccccc2)c(F)c1 2325862060 HXKUEBXMEYFWBE-IBGZPJMESA-N 430.501 3.244 0 50 IGAA O=C(NC1C[C@H]2CN(C(=O)c3cn4ccnc4s3)C[C@@H]2C1)c1scnc1C1CC1 2325876474 WPLZPVQGLCZDJU-STQMWFEESA-N 427.555 3.010 0 50 IGAA COc1ccc(NC(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)cc1C(N)=O 801801 XFFUSHPWEKGYJH-UHFFFAOYSA-N 442.475 3.200 0 50 IGAA CCOc1cc(C2C(C(=O)OC)=CNC=C2C(=O)OC)cc(Br)c1OCC 1074520 KYFAMQLKNNKOEX-UHFFFAOYSA-N 440.290 3.047 0 50 IGAA CCCCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1 2305204 VKSPXHQQKHSMQO-XSFVSMFZSA-N 435.505 3.470 0 50 IGAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(CN3CCCCC3)cs1)CC2 12041868 KUGVSDKCABCVDC-GOSISDBHSA-N 444.649 3.046 0 50 IGAA Cc1nc(C(=O)NCCc2nnc(SC[C@@H]3CCCO3)n2-c2ccccc2F)cs1 12149181 BVNOPOSZADNDMW-AWEZNQCLSA-N 447.561 3.415 0 50 IGAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2cccc3ccccc23)CC1)[C@@H]1CCOC1 12430589 QEHKXZPTUKLXJT-HXUWFJFHSA-N 432.524 3.418 0 50 IGAA Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(N2C(=O)c4ccccc4C2=O)C3=O)cc1C 13881489 VGDMFPWSUMFUBG-UHFFFAOYSA-N 439.427 3.363 0 50 IGAA CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(F)cc2)cc1 15919266 JCSPMIRWXVNVNP-UHFFFAOYSA-N 429.473 3.453 0 50 IGAA Cc1cccn2c(CNC[C@@H]3CCCN(c4ncccn4)C3)c(C(=O)N3CCCCC3)nc12 19594855 HXOMVYQILSIEEA-FQEVSTJZSA-N 447.587 3.065 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 19782500 JGVLHJCSWJPRDY-GOSISDBHSA-N 434.323 3.456 0 50 IGAA COc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(N3CCOCC3)nc2c1 253405518 IINOFANYARONGV-MRXNPFEDSA-N 434.448 3.250 0 50 IGAA biogenic O=C1C[C@@H](C(=O)N[C@H](Cc2cc(Cl)sc2Cl)C(=O)O)c2ccc(F)cc2N1 2325823929 JAHPULITQVQROG-ZYHUDNBSSA-N 431.272 3.432 0 50 IGAA COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1Br 1068412 OOXRBLHDYHTXPB-ZDUSSCGKSA-N 436.302 3.141 0 50 IGAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl 1154748 NBIJYJPKLPHMER-UHFFFAOYSA-N 442.368 3.108 0 50 IGAA COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)cc2oc(-c3ccccc3)cc(=O)c12 2139188 NASAJDYEYOWSPU-KGLIPLIRSA-N 426.421 3.341 0 50 IGAA biogenic COCCCNC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 2668427 OIQQVGHODJYKJR-QGZVFWFLSA-N 430.526 3.172 0 50 IGAA CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCn1cc(Cl)c(C)n1 2733644 XOLGKGOQKHYOCY-UHFFFAOYSA-N 433.965 3.263 0 50 IGAA O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC[C@@H]2c2nccs2)c1 12244540 XYZZPQHLCSAHEU-QGZVFWFLSA-N 427.555 3.434 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1c[nH]c2ccccc12 12587687 NVTUWJDMXSRCMG-RUZDIDTESA-N 440.547 3.371 0 50 IGAA CCN1C[C@@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O 12612250 KKWVWDGAQVCNNS-JOCHJYFZSA-N 449.595 3.371 0 50 IGAA CCOc1ccc2nc(N3CCC[C@H](C(=O)N(C)Cc4cn(C)nc4C)C3)nc(C)c2c1 14950654 YJJZDEHXSLGLAN-SFHVURJKSA-N 436.560 3.254 0 50 IGAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 19799326 HKSHNKDVGHUALY-UHFFFAOYSA-N 439.541 3.170 0 50 IGAA Cc1cccn2c(CN3CCC(N4CCSCC4)CC3)c(C(=O)N3CCCCC3)nc12 20534134 WGAODUYWQOZDJC-UHFFFAOYSA-N 441.645 3.282 0 50 IGAA COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1 35920376 ZEOQUKRCASTCFR-UHFFFAOYSA-N 436.512 3.059 0 50 IGAA in-man C[C@H](CCc1cccc(F)c1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225716369 WBVHWCXEIVNHJB-NQIIRXRSSA-N 444.522 3.367 0 50 IGAA CC[C@H](C)ON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254310647 WAIHBPBIDSIKNI-PUJWCSJISA-N 441.138 3.393 0 50 IGAA O=C1CCCc2cc(C(=O)NS(=O)(=O)c3c(F)cccc3OC(F)(F)F)ccc2N1 806107278 LQSLTXGGXLQAFE-UHFFFAOYSA-N 446.378 3.118 0 50 IGAA CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 1704340821 NAQYDFKUWHKBOX-UXHICEINSA-N 428.573 3.418 0 50 IGAA CNC(=O)[C@H](C)NC(=O)Cc1c(-c2ccc3cc(OC)ccc3c2)oc2cc(C)oc(=O)c12 1857526756 WVVZICCHWJTXOU-AWEZNQCLSA-N 448.475 3.316 0 50 IGAA O=C(NCCC(O)(C(F)(F)F)C(F)(F)F)[C@@H]1Cc2cc(Br)ccc2O1 1875309255 BALFQJBDZNOXGZ-JTQLQIEISA-N 436.146 3.115 0 50 IGAA O=C1CC[C@](CCC(=O)N2CCN(c3ncc4ccccc4n3)CC2)(Cc2cccs2)N1 12205567 RVDOEQLRLCVCJJ-DEOSSOPVSA-N 449.580 3.012 0 50 IGAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)CCc2ccncc2)CC1=O 14539657 OILBMHGEYDBEIP-NRFANRHFSA-N 427.520 3.066 0 50 IGAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(Oc3ncccn3)cc1)C2 19790917 JADJYFRZROKGFK-UHFFFAOYSA-N 432.528 3.280 0 50 IGAA CCOC(=O)C1CCN(Cc2cc3ccc(F)cc3n(CCN3CCCCC3)c2=O)CC1 20271019 VIWKMAMZGGWNRZ-UHFFFAOYSA-N 443.563 3.402 0 50 IGAA O[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1 20908913 UJYYJSYILWVNPM-UIOOFZCWSA-N 428.580 3.081 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2CCO)CC1 104415686 FKCXPGHXYBVJSZ-JOCHJYFZSA-N 446.039 3.267 0 50 IGAA CN(C)CCOc1ccc(/C=C/C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 170600660 FILPDLLLCVCLJQ-RMKNXTFCSA-N 427.570 3.076 0 50 IGAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1 211005720 HCDFRKHFZGGMOR-ZJOUEHCJSA-N 434.540 3.182 0 50 IGAA CC(C)[C@H](NC(=O)CN1CC[C@H](OCc2ccncc2)C1)c1ccc2c(c1)OCCCO2 225519055 ILPYHXFLCNKSQV-OFVILXPXSA-N 439.556 3.347 0 50 IGAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 486039911 SPZJWOGKUSTZSD-GOSISDBHSA-N 426.270 3.459 0 50 IGAA O=C(NS(=O)(=O)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 759181967 RETGEXLHUNWMOE-UHFFFAOYSA-N 436.468 3.333 0 50 IGAA COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 788355861 SQUUZORPUHKIAU-GXTWGEPZSA-N 447.406 3.470 0 50 IGAA O=C(O)c1n[nH]c2ccc(NCc3ccc(OCCN4CCOCC4)c(Cl)c3)cc12 1857531398 PYDIWSXECLZBOM-UHFFFAOYSA-N 430.892 3.238 0 50 IGAA Cc1[nH]nc2ncc(C(=O)NCC[C@@H]3[C@@H](C)CCCN3C(=O)c3cccc4c3COC4)cc12 1875359670 MGFVEMOWJPAWEJ-OYHNWAKOSA-N 447.539 3.357 0 50 IGAA Cc1nn(C)c(C)c1CCC(=O)N=[S@]1(=O)CCCN(c2nc3cccc(C)c3o2)CC1 2332239084 WDMDVDCBRPYEAC-HKBQPEDESA-N 443.573 3.324 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl 662902 SVJGBXZCALLMNL-UHFFFAOYSA-N 434.901 3.453 0 50 IGAA Cn1c(Sc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 1069916 CCSHWSNUUFIDTC-UHFFFAOYSA-N 430.892 3.426 0 50 IGAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 1201811 YNPHZMWGMPRASW-UHFFFAOYSA-N 443.956 3.285 0 50 IGAA COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 9296111 YWGHAXYHJDTODZ-BOPFTXTBSA-N 444.896 3.274 0 50 IGAA CCOC(=O)[C@H]1CCCN(C2CCN(Cc3nc(CCc4ccccc4)no3)CC2)C1 11715230 QIDFTYJJAZXDMU-FQEVSTJZSA-N 426.561 3.094 0 50 IGAA COc1ccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)c(OC)c1OC 11963550 MTOWRBFANLWKKH-KRWDZBQOSA-N 448.560 3.029 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(C)o2)C1 12054271 KPHIJAATFGIRCK-SFHVURJKSA-N 434.558 3.402 0 50 IGAA COCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 19146434 VOCMDSPMPBLVMP-HXUWFJFHSA-N 426.561 3.162 0 50 IGAA O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 19831967 VLRISXOPPQTQRW-VWLOTQADSA-N 430.548 3.475 0 50 IGAA CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 65365449 FBZDMXBLNDNQPG-UHFFFAOYSA-N 435.532 3.340 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)nc1 72436853 ABLMVSPINZFQLH-UHFFFAOYSA-N 444.948 3.088 0 50 IGAA CCc1nc(CCNC(=O)CCN(CC)Cc2nc3c(C)cccc3c(=O)[nH]2)sc1C 170638052 QGGWONOHQMUTNT-UHFFFAOYSA-N 441.601 3.130 0 50 IGAA C[C@](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)(C(=O)O)c1cccc(Br)c1 776649891 PQGFFLSYHKZVHQ-SPLOXXLWSA-N 445.313 3.456 0 50 IGAA CNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(OC[C@@H]4CCCO4)cc3C)ccc2[nH]1 2325719102 BMXLXOMWYDNBAB-SFHVURJKSA-N 443.525 3.195 0 50 IGAA COc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(SCc3ccccc3F)nn21 1130664 VOTHHNIKWHWNNG-GOSISDBHSA-N 425.489 3.492 0 50 IGAA aggregator Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(I)c1 1158704 GOUMWKBNPQYUBE-UHFFFAOYSA-N 440.262 3.425 0 50 IGAA COCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 2953872 AWNUBKOZQDUVJP-UHFFFAOYSA-N 445.368 3.337 0 50 IGAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)n1 11697275 MFKYPZWXAIQALU-UHFFFAOYSA-N 444.948 3.088 0 50 IGAA COc1cc(CNCc2cc(-c3ccccc3)on2)ccc1OC[C@@H](O)CN1CCCC1 11934734 UJMOXEYFBPFYDH-QFIPXVFZSA-N 437.540 3.476 0 50 IGAA Cc1cc(=O)c(C(=O)NC[C@H]2CCCO2)c(CCc2ccccc2)n1Cc1ccccn1 12217150 HTDMBOWSQMNKEE-JOCHJYFZSA-N 431.536 3.294 0 50 IGAA COc1ccc(CC(=O)N2N=C(C)C[C@]2(O)c2ccc(Br)cc2)cc1OC 12436578 VZXMGUOMHHOMQO-FQEVSTJZSA-N 433.302 3.462 0 50 IGAA CC[C@]1(C2CCN(Cc3ccc4c(c3)CCO4)CC2)NC(=O)N(Cc2ccccn2)C1=O 14882350 VWCGSGRMUXZCSS-RUZDIDTESA-N 434.540 3.129 0 50 IGAA COCC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 14882381 HLEKJPLVFZBBRP-NVQXNPDNSA-N 449.551 3.086 0 50 IGAA O=C(C1CCOCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 14981328 APZWNRDAZOAMOP-RUZDIDTESA-N 426.601 3.300 0 50 IGAA COc1cc(OC)c(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1Cl 72117428 OYLYLBHADWKFPT-UHFFFAOYSA-N 446.939 3.102 0 50 IGAA C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 247985803 ZKLSTLYBTHUDFT-OGCDSPNFSA-N 437.499 3.226 0 50 IGAA CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 299761020 QHGGCDVLYLDKSR-CJAUYULYSA-N 442.531 3.373 0 50 IGAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 703519 CSEYYAYEYPKPPD-LJQANCHMSA-N 426.494 3.270 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 7060073 NLKVNDGDQNJNTK-MPGHIAIKSA-N 428.794 3.453 0 50 IGAA COc1ccc(-c2noc(N3CCC(C(=O)NCCCN4CCC(C)CC4)CC3)n2)cc1 9405505 AQPIGMGCKVLQNJ-UHFFFAOYSA-N 441.576 3.200 0 50 IGAA COc1ccc(CN(C)Cc2ccncn2)cc1OC[C@@H](O)CN1CCCCCCC1 11661662 BAYOUETZQDDBFO-QFIPXVFZSA-N 428.577 3.123 0 50 IGAA COc1cc(CN(C)Cc2nc(C)c[nH]2)ccc1OC[C@@H](O)CN1CCCCCCC1 11819694 MEFYWGBHMKJJMI-NRFANRHFSA-N 430.593 3.365 0 50 IGAA O=S(=O)(c1cccc2nsnc12)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1 12040703 DRASJZQRBTZQSR-INIZCTEOSA-N 445.566 3.460 0 50 IGAA CN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)(c2ccccc2F)C1=O 12151317 JWOIGDYFGCTHKB-PUAOIOHZSA-N 448.498 3.125 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 14962745 HGMCZGPNIZWBRL-SFHVURJKSA-N 432.528 3.199 0 50 IGAA CO[C@H](c1ccc2c(c1)CN(C(=O)C[C@@H]1SC(=O)NC1=O)CCO2)C1CCCCC1 14995389 UQFYTKWJSGXSHF-ICSRJNTNSA-N 432.542 3.417 0 50 IGAA Cc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3cc(Br)ccc3n2)o1 16392629 HZVACVJLZLFVIO-UHFFFAOYSA-N 429.318 3.458 0 50 IGAA CCn1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 55054779 HKFWXPQRGWWMDD-HXUWFJFHSA-N 435.494 3.349 0 50 IGAA CCOc1ccccc1CN1CCN(CC2=Cc3cc(OC)ccc3OC2)C[C@H]1CCO 104364798 ODDAUEGZSNPDPQ-HSZRJFAPSA-N 438.568 3.439 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 239165170 NPGAHEBVAVBTOL-UVJYDBKJSA-N 448.302 3.163 0 50 IGAA Cc1c(Br)ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 239231235 VENFRQYFYMXZHF-IOKXVFATSA-N 443.341 3.448 0 50 IGAA CO[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)C1 328589357 YHCMACFGQLFBSA-FXAWDEMLSA-N 428.554 3.468 0 50 IGAA COCCn1c([C@@H](C)NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)nc2ccccc21 334162075 NPBMVESHDIJHDA-MRXNPFEDSA-N 433.516 3.408 0 50 IGAA COc1cccc(Oc2ncccc2CNC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c1 741202045 MHERMXCWFPYSFY-QFIPXVFZSA-N 433.464 3.313 0 50 IGAA COC(=O)c1ccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1 822636 IAVVPJOLPGLYKO-OQLLNIDSSA-N 433.201 3.422 0 50 IGAA CC[C@@]1(C)Cc2nc3nc(SCC(=O)OC)n(Cc4ccccc4)c(=O)c3cc2CO1 1157325 RFWSFBKMUVSAOF-QHCPKHFHSA-N 439.537 3.346 0 50 IGAA O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 2881542 GPCXLSZTHURHCM-OAHLLOKOSA-N 443.352 3.484 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11783111 IGSQZIGDOCHDAM-JTSKRJEESA-N 433.574 3.178 0 50 IGAA O=C(c1cn(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nn1)N1CCCCC1 12037859 WEWFOFSLMBPMMP-UHFFFAOYSA-N 441.963 3.453 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(F)c2F)CC1 12702215 PYERWAPVDJNSDD-UHFFFAOYSA-N 434.483 3.393 0 50 IGAA COc1cc(CO[C@@H]2CN(C(=O)CCC(F)(F)F)CC(=O)N(C(C)C)C2)cc(OC)c1 14531785 HPELMFIWCDTECL-GOSISDBHSA-N 446.466 3.011 0 50 IGAA CCCc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)CCOc4ccccc4)CC[C@@H]32)n(C)n1 14987344 DURMXKRHWQYAQI-KNQAVFIVSA-N 438.572 3.295 0 50 IGAA Cn1cc(CN2CCN(c3ccc(Cl)cn3)CC2)c(-c2ccc3c(c2)OCCO3)n1 95501920 NXDFTODSXPUBQZ-UHFFFAOYSA-N 425.920 3.229 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 101319053 IGLCNLLYBLZOHH-VUKUWZNJSA-N 425.710 3.462 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2c(C)cccc2C)C2=C1C(=O)OC2 169780823 YUSWXUHWGSXPAY-JOCHJYFZSA-N 435.480 3.218 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)C1 170605701 KFPIZXGAXGSXDU-STSQHVNTSA-N 445.585 3.093 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 239009569 AVNCYFMPGGDGIO-BQLROHOASA-N 427.456 3.284 0 50 IGAA Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c1 486595913 VWKHLVYCTHOBBY-ZDUSSCGKSA-N 445.574 3.262 0 50 IGAA C[C@@H]1NC(=O)O[C@@]12CCN(c1nnc(-c3n[nH]c4ccccc34)n1Cc1cccs1)C2 1875322586 XQBHIXPCXSTHMZ-YEJXKQKISA-N 435.513 3.008 0 50 IGAA COC(=O)c1cc(Br)c(CSC[C@H](C)CS(C)(=O)=O)cc1OC 1875341451 UFGKNMMLBHBIAV-JTQLQIEISA-N 425.366 3.158 0 50 IGAA COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 827662 HTBPLGUUOPVMIH-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1OC 1057736 NJNVFGMSZAQZGP-UHFFFAOYSA-N 442.921 3.061 0 50 IGAA O=C(CCOc1ccccc1)Nc1cnn(CC(=O)N[C@@H](c2ccco2)C(F)(F)F)c1 11998748 PTSQDDKQFXAICV-IBGZPJMESA-N 436.390 3.304 0 50 IGAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12201096 CMNRVRIVDDFIIC-CYBMUJFWSA-N 427.931 3.472 0 50 IGAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 14731690 AGHVHWYLDVEPJT-UHFFFAOYSA-N 431.540 3.392 0 50 IGAA COCc1ccc(CN2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)o1 14747454 FJYGDLYEMWSEHU-DEOSSOPVSA-N 435.524 3.251 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)cc(-n3cnnn3)c2)c(OC)c1OC 15008186 GIOXMMIYHUEMMR-OAHLLOKOSA-N 437.500 3.227 0 50 IGAA CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCCCC1 16650204 AUXKVYQCJZQIML-UHFFFAOYSA-N 445.566 3.182 0 50 IGAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)Cc4ccc(Br)cc4)C3)nn2)n1 169778179 SGFQHCIAJRRADI-HNNXBMFYSA-N 445.321 3.230 0 50 IGAA COc1cc(OC)c(CNC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 170626665 HKLPGPZRAFKCMB-IBGZPJMESA-N 440.496 3.040 0 50 IGAA CN1O[C@@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@H]1c1ccccc1 229886062 YOBHRCYOLKLIKZ-ZNMIVQPWSA-N 440.809 3.077 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccc(OCc2ccccc2)cc1 239203523 SNWNWZGNBKDJNH-MAMHMVEESA-N 429.472 3.224 0 50 IGAA CN1CCCN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)cc2F)CC1 240555847 GXTUSCPNXXYETN-WOJBJXKFSA-N 434.556 3.160 0 50 IGAA CCOCCOc1c(Cl)cccc1NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 488349985 CXFXGZGDPVZPEM-CZNHBJKYSA-N 432.948 3.386 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 1772492662 CBHAAIFAQOMMAF-ZVVDCOBXSA-N 442.585 3.396 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cccc(OCC(N)=O)c2)cc1 1875262668 UPPNARWRYFTZCT-XMMPIXPASA-N 432.520 3.489 0 50 IGAA CN1CCN(c2ccccc2CNC(=O)c2n[nH]c3cc(OC(F)(F)F)ccc23)CC1 2325730815 OUZLYNCZNUNPSJ-UHFFFAOYSA-N 433.434 3.143 0 50 IGAA CN(CC(C)(C)NC(=O)c1cnn(CCC(F)(F)F)c1)C(=O)[C@@H]1CC2(CCCC2)CO1 2325828216 BGEBHPCSQXLHTA-INIZCTEOSA-N 444.498 3.152 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 1139521 VAJLJZHONJCCMU-UHFFFAOYSA-N 433.313 3.270 0 50 IGAA O=C(O)c1cccc(NC(=S)NC(=O)c2ccccc2I)c1 2999361 VHWCRTCQENVBJU-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA Cc1ccccc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1 6348496 NLKVCOBQQWLCPV-UHFFFAOYSA-N 441.578 3.494 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cccs3)CC2)cc1)N1CCC[C@H](CO)C1 11841440 IRBOLLSZIXLWKG-IBGZPJMESA-N 427.614 3.394 0 50 IGAA C[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)CC2)C1 12098211 QIBUPZFVRPONGA-SFHVURJKSA-N 446.551 3.353 0 50 IGAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)[C@H](C)c4ccco4)[nH]c3=O)nc2s1 12242348 BZBWCBBDVCGSEG-CQSZACIVSA-N 425.514 3.109 0 50 IGAA CCCc1c(-c2ccccc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O 13611345 QAPQVSKZDUSCRX-UHFFFAOYSA-N 432.524 3.440 0 50 IGAA CCN1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 14411863 HSOKDFYPHFMSHS-UHFFFAOYSA-N 435.977 3.008 0 50 IGAA O=C(NCc1ccccn1)c1cc(NC2CCCC2)cc(S(=O)(=O)N2CCCC2)c1 14534962 QXAQJAYGXKHYRU-UHFFFAOYSA-N 428.558 3.151 0 50 IGAA COCC(=O)Nc1cc(C(=O)N(C)Cc2ccon2)cc2ncn(CCc3ccccc3)c12 14880132 SITUISPKWJMXCI-UHFFFAOYSA-N 447.495 3.124 0 50 IGAA COc1ccc(CN(C)Cc2ccon2)cc1OC[C@H](O)CN(C)Cc1ccccc1 14981347 ACZAKFCSSSVARA-JOCHJYFZSA-N 425.529 3.187 0 50 IGAA Cc1nonc1CN[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 15002463 QGUXYCADNSISMA-QGZVFWFLSA-N 435.553 3.429 0 50 IGAA CC(C)(C)OC(=O)NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 16042529 RDKPPWARURBAHD-DENIHFKCSA-N 446.507 3.293 0 50 IGAA biogenic Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 16448283 FCIYUHGLPBSUOX-UHFFFAOYSA-N 446.525 3.352 0 50 IGAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(I)cc1 16729711 RYHUHAKHUMJKFD-CQSZACIVSA-N 442.278 3.114 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 22923880 WKBYLNZYJBOYQR-UHFFFAOYSA-N 446.544 3.056 0 50 IGAA O=C(NC[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 104380884 DCRYZQIRKHXIDJ-DNVFCKCGSA-N 443.547 3.121 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C32CC2)c1=O 104497557 CVEMXMVBPDJQNK-NJNPRVFISA-N 449.551 3.352 0 50 IGAA Cc1nc(C)n(C2CN(S(=O)(=O)c3c(Cl)cc(Br)cc3Cl)C2)n1 225829442 RQMCHRRPBPZUIF-UHFFFAOYSA-N 440.150 3.210 0 50 IGAA Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc(Br)c1Cl 239254576 YKSLJVDRWYFTOP-FDJUTITPSA-N 449.732 3.403 0 50 IGAA C[C@@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 248382593 XMDZOVNNOUYDHX-HIFRSBDPSA-N 445.368 3.453 0 50 IGAA CCOc1cccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)c1 263615941 GDJSHBODJWIPLG-UHFFFAOYSA-N 443.463 3.152 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCc3cnccc3OC(C)C)C2)s1 806100922 KCFJZNAKWHZCEB-INIZCTEOSA-N 438.571 3.383 0 50 IGAA COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)cnc1O 2325824311 XXFIQMOYWGLDON-BMGDILEWSA-N 437.496 3.297 0 50 IGAA COc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 1135262 PDYPPPHQFGBVRB-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1174042 ABODWMWVBMIICD-UHFFFAOYSA-N 440.974 3.482 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2c3c(nn2C)CCCC3)C1 11821177 JPYYXSXEHLTWAP-LJQANCHMSA-N 437.588 3.027 0 50 IGAA O=C(CSc1ncccn1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 11878373 UEOIZUIEUXTNKL-UHFFFAOYSA-N 425.476 3.431 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)CCC=C(C)C)CC3)cc1 12332788 MQWPBZJDPUUZSM-FQEVSTJZSA-N 439.604 3.500 0 50 IGAA COCCNC(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 12457499 PVXPMJFVOKHMTD-UHFFFAOYSA-N 430.530 3.048 0 50 IGAA O=C(C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)c1ccco1 15063909 MNRKNDYKBFMSPX-SFHVURJKSA-N 435.446 3.294 0 50 IGAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 16447960 CLEUNUKJCYNHQG-IRXDYDNUSA-N 431.558 3.317 0 50 IGAA Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1 29134440 LTEJRLHKIYCEOX-OCCSQVGLSA-N 441.463 3.417 0 50 IGAA investigational Cc1cc(C(=O)NC2CCN(C)CC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 67339106 MNUIMYPACIDJBZ-UHFFFAOYSA-N 435.977 3.298 0 50 IGAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccccc1C(F)(F)F 169752491 GEMSWPKJSGBXIX-UHFFFAOYSA-N 442.397 3.313 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(Cl)c4)ccn3n2)c1 169777064 YXQWXDVUJMVZNT-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA COc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239305914 GEJAJLKIQWMXGS-OUTQORHZSA-N 442.515 3.298 0 50 IGAA C[C@H](CCc1ccccc1)NC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 245257622 AGMBRVYXCZSWBT-UIAACRFSSA-N 443.594 3.118 0 50 IGAA Cc1cc(N2C[C@H](C(=O)Nc3cncnc3N3CCCC3)CC2=O)ccc1Br 499449749 PGTRNQDWBIENKA-CQSZACIVSA-N 444.333 3.139 0 50 IGAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 742640013 JUGZLRQJWZSTGI-IRXDYDNUSA-N 445.589 3.118 0 50 IGAA COc1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cc3cc(C)ccc3C)C2)c(OC)n1 1857684067 XXTRYHUFGSDONH-RTBURBONSA-N 425.529 3.116 0 50 IGAA Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)NCc3ccccc3)c(=O)c12 955596 HLUWODBHLJSUCQ-UHFFFAOYSA-N 432.505 3.335 0 50 IGAA COCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 2957928 BRRACMBLNJAEON-UHFFFAOYSA-N 440.949 3.005 0 50 IGAA COc1cc(CNCCOc2cccnc2)ccc1OC[C@@H](O)CN1CCCCCCC1 11821106 XGFCAHWMMHINAT-QFIPXVFZSA-N 443.588 3.265 0 50 IGAA Cc1nc(C(=O)NCCc2nnc(SC[C@H]3CCCO3)n2-c2ccccc2F)cs1 12149182 BVNOPOSZADNDMW-CQSZACIVSA-N 447.561 3.415 0 50 IGAA C[C@H]1CCCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)C2)C1 12211060 ULVXECYZSQRILH-ICSRJNTNSA-N 446.551 3.353 0 50 IGAA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 12381864 UQJKJMYLSKCPQO-UHFFFAOYSA-N 431.334 3.401 0 50 IGAA O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14732872 PMCAFNPSOAOREY-QHCPKHFHSA-N 447.510 3.333 0 50 IGAA O=C1CN(Cc2nc3ccccc3[nH]2)C[C@H](OCc2cccnc2)CN1Cc1ccccc1 14740363 FCJRCLNTOPFZGJ-QFIPXVFZSA-N 441.535 3.388 0 50 IGAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)CCc2cc(C)cc(C)c2)CCO3)CC1 14998452 VDJKHLBKGNSKKN-UHFFFAOYSA-N 449.595 3.321 0 50 IGAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC5CCCC5)CC4)c3CO2)cc1 169774492 XTYJWRRZNBBPAQ-QFIPXVFZSA-N 436.556 3.374 0 50 IGAA C[C@@H]1CN(C(=O)CCn2c(S)nnc2-c2cccs2)C[C@@H]1NC(=O)OC(C)(C)C 225500390 CFGHSBKHRVOWGI-OLZOCXBDSA-N 437.591 3.057 0 50 IGAA Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccncc3)nn2)cc1 225720125 DEHZCTHBXZXGNV-NRFANRHFSA-N 448.527 3.405 0 50 IGAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 240551683 GVJWQFABZQQVIR-OPYAIIAOSA-N 438.524 3.425 0 50 IGAA COC(=O)c1cn([C@H](Cc2nc3ccccc3[nH]2)c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 263587612 IYKVRBXIWQMHTH-LJQANCHMSA-N 431.427 3.310 0 50 IGAA COc1ccc(/C=C/C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccn2)cc1OC 299787104 YZTZTYNEZJEFLD-OEAKIKGJSA-N 449.551 3.100 0 50 IGAA Cc1cc(C)nc(SCc2ccc(C(=O)NCCc3nc(-c4ccccn4)no3)o2)n1 670433762 MTYSOMLADSZEQN-UHFFFAOYSA-N 436.497 3.396 0 50 IGAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 1470145958 GAOVKYXJGDRRBQ-FDDCHVKYSA-N 441.915 3.387 0 50 IGAA Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4CCCN(C(=O)c5n[nH]c6ccc(C)cc56)[C@@H]4C3)c2c1 1875262358 CXNNDAHOIHZTMF-HRAATJIYSA-N 442.523 3.433 0 50 IGAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(C)cc2)cc(OC)c1OC 844560 LKQSNKKEJXQHMZ-FQEVSTJZSA-N 426.469 3.392 0 50 IGAA Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccnc1 1049701 GFSNFIFJBZQFJO-UHFFFAOYSA-N 428.827 3.457 0 50 IGAA Cc1ccc(OC(=O)CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 1166877 UWURTPGYTKGJQY-UHFFFAOYSA-N 443.481 3.417 0 50 IGAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2365872 JMYQAGQPORLAFO-VMPITWQZSA-N 434.524 3.063 0 50 IGAA O=C1CN(C(=O)CN2CCCC2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 2849269 ICSHTXRWYANCFL-NRFANRHFSA-N 428.330 3.415 0 50 IGAA O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3023481 NFDVWSVTKXNTFK-UHFFFAOYSA-N 432.395 3.118 0 50 IGAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 11342810 BKXYWUKJTMSJEH-OAHLLOKOSA-N 438.933 3.075 0 50 IGAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)/C=C/c2ccncc2)O3)cc1 11788207 YTNXITVNONMVDK-ZEOAKLJRSA-N 434.517 3.285 0 50 IGAA COCC(=O)Nc1cc(C(=O)N(C)C(C2CC2)C2CC2)c2c(c1)nc(-c1ccncc1)n2C 11963414 VYHZGQQMOBRZAQ-UHFFFAOYSA-N 447.539 3.481 0 50 IGAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1nc(CS(=O)(=O)c2ccccc2)no1 12376810 YWUJFDJIFDDVRW-UHFFFAOYSA-N 429.542 3.380 0 50 IGAA CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1Cl 12413243 INMPWGKWBPTAAE-KRWDZBQOSA-N 448.310 3.458 0 50 IGAA O=C(c1ccc(N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1)N1CCC[C@@H](O)C1 12451574 XNRSKCMNSPAAHA-AREMUKBSSA-N 448.611 3.075 0 50 IGAA O=C(NCc1nnc2n1CCC2)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12718504 WROFFCQXZLBLGA-UHFFFAOYSA-N 445.567 3.240 0 50 IGAA COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(OC)c1O 13939910 DNVUKHVTFNJZPO-VGOFMYFVSA-N 433.258 3.265 0 50 IGAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H](NCCCc1ccncc1)C2 14535077 CIWXQGGLBDFPFO-JOCHJYFZSA-N 429.568 3.093 0 50 IGAA COc1ccc(CNCc2cc(C)no2)cc1OC[C@H](O)CN(C)Cc1ccccc1 15069473 QCCOLPLCUYMFCQ-OAQYLSRUSA-N 425.529 3.153 0 50 IGAA C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 19742790 PZIBVVQHOFLDKP-PNWWAVQQSA-N 436.947 3.302 0 50 IGAA COCCn1c(CN2CCCC[C@H]2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C 55168973 JWTCMTDMRSSPTJ-FQEVSTJZSA-N 434.606 3.472 0 50 IGAA Cc1ccn(-c2ccc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nn2)n1 72441703 JEFMERQWSTVVHL-UHFFFAOYSA-N 438.535 3.451 0 50 IGAA C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169781375 VFVFJJXFYTVSHU-WMZOPIPTSA-N 430.468 3.236 0 50 IGAA C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)[C@@H]2CCCC[C@H]12 461159495 MCKBJPWFKXOLNY-UMSONDCASA-N 434.548 3.115 0 50 IGAA CN(Cc1sc2ccccc2c1Cl)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1506414658 RSDJTZKFMWUAJU-OAHLLOKOSA-N 441.018 3.412 0 50 IGAA O=C(c1cccc(O)n1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857708118 WDJKGCFWQMAJTD-HXUWFJFHSA-N 437.540 3.416 0 50 IGAA Cc1nn(C(F)F)cc1NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301508 LTJIWUCQWJAISD-GFCCVEGCSA-N 433.337 3.412 0 50 IGAA COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)N(C)C2=O 1069787 SPLJSCCCHBWZAI-UHFFFAOYSA-N 438.292 3.355 0 50 IGAA CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccccc2)sc2c1CCCC2 2866876 GOSKDPWTPDFMQV-UHFFFAOYSA-N 436.555 3.063 0 50 IGAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c(OC)c1 11665341 MONFCKPGHDUYEP-IBGZPJMESA-N 439.556 3.367 0 50 IGAA CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1cc[nH]n1)CC2 11912084 WMNKFGDCCHUBQX-PKTZIBPZSA-N 436.581 3.434 0 50 IGAA CC(C)CC[C@]1(C2CCN(C(=O)CC3=CCCCC3)CC2)NC(=O)N(CCN(C)C)C1=O 12036223 GCHHGYMXVNAPLW-RUZDIDTESA-N 446.636 3.404 0 50 IGAA CCN(CC)C[C@H](O)COc1cc(CN2CCC(Oc3cccnc3)CC2)ccc1OC 12320443 KZKFHIDXJIJLNW-NRFANRHFSA-N 443.588 3.215 0 50 IGAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)CCc3cnn(C)c3)cc2)n1 12583259 IZXOGAQBBVAHHY-JOCHJYFZSA-N 434.544 3.175 0 50 IGAA Cn1c(/C=C/c2ccc3c(c2)OCO3)nc2ccc(I)cc2c1=O 15856701 RFCHIAVVKNRBCH-XVNBXDOJSA-N 432.217 3.437 0 50 IGAA CCN1CCN(C[C@@H](O)COc2ccc(CNC3CCCCCCC3)cc2OC)CC1 20204887 PDBNZAQYABGRLN-HSZRJFAPSA-N 433.637 3.275 0 50 IGAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCNC(=O)c1nc(C2CCCCC2)no1 20352653 XSPMUPNNNWTQEK-AWEZNQCLSA-N 434.924 3.393 0 50 IGAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC 20908689 VBSSJVPIYVKBRA-SFHVURJKSA-N 435.524 3.239 0 50 IGAA CCN1CCN(C2CCN(C(=O)c3ccc(-c4cccs4)nc3N(C)C)CC2)CC1 23340049 KBBRSRGSABTGEO-UHFFFAOYSA-N 427.618 3.118 0 50 IGAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3N3CCCN23)cc1 138558423 AMOGAEUADYNWRW-IPMKNSEASA-N 431.414 3.250 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C2=C1C(=O)OC2 169758136 IPKFXTYNVPSETA-JOCHJYFZSA-N 435.480 3.218 0 50 IGAA COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 239402783 RDBYOWCGEUWIQO-YVZLVKDNSA-N 442.471 3.283 0 50 IGAA Nc1cncc(C(=O)N2CC([C@@H]3CCCCN(C(=O)c4cnc5ccccc5c4)C3)C2)c1 1875361029 OYYCLVZJPLHXGT-GOSISDBHSA-N 429.524 3.227 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 627981 VNEMGMWMFOFQMF-MJSCBBHESA-N 430.938 3.123 0 50 IGAA CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc2ccccc2c1 1077583 NDGRVCCLUVANMS-UHFFFAOYSA-N 426.494 3.276 0 50 IGAA Cc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 2725714 AWNXZCWOMWKZAN-UHFFFAOYSA-N 440.521 3.456 0 50 IGAA CCOc1ccccc1N(CC(=O)NCCSCc1ccccc1C)S(C)(=O)=O 2812998 DXMXXMYPDNYOQP-UHFFFAOYSA-N 436.599 3.209 0 50 IGAA CCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)CC)C(Cl)(Cl)Cl)cc1 2867964 RQCIMOPULOESCE-ZDUSSCGKSA-N 426.753 3.372 0 50 IGAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3n2)cc1 8951578 ANQVRHDUILZWDS-UHFFFAOYSA-N 426.427 3.359 0 50 IGAA C[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)CC2)C1 12098208 QIBUPZFVRPONGA-GOSISDBHSA-N 446.551 3.353 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 12594140 JXUKPFATLHNUHR-INIZCTEOSA-N 435.952 3.318 0 50 IGAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cn2nc(Cl)ccc2=O)cc1 12755586 XIMHRPWUBIQRRF-KRWDZBQOSA-N 425.920 3.221 0 50 IGAA Cc1ccccc1-c1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 14990255 PBHAXCZVSVIQAW-QFIPXVFZSA-N 433.556 3.203 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2ccc(C)c(Cl)c2)CC1 19999722 HTRWPPIEGNTWJF-FQEVSTJZSA-N 432.948 3.422 0 50 IGAA CCn1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 55054778 HKFWXPQRGWWMDD-FQEVSTJZSA-N 435.494 3.349 0 50 IGAA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239203134 RULHJIWGGRSOFJ-CCDNWQPMSA-N 442.515 3.298 0 50 IGAA CC(=O)N[C@@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)cc1 253488722 BPUBJSOKPBIYRB-FQEVSTJZSA-N 440.931 3.414 0 50 IGAA Cc1nn(C)cc1CNC(=O)c1c(CC2CCCC2)n(Cc2cccnc2)c(C)cc1=O 299756702 DSBMIRRGKNVSIK-UHFFFAOYSA-N 433.556 3.305 0 50 IGAA CC[C@H](C)CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2ccccc2OC)CC1 299770207 NVNWLGQVLLUTEO-RBBKRZOGSA-N 441.616 3.404 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)C[C@H]21 754610091 SSPHOLPQKALSPV-KLHDSHLOSA-N 441.594 3.058 0 50 IGAA O=C(c1ccc[nH]1)N1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 952983813 XYPHYWMWGUXOJB-UHFFFAOYSA-N 427.464 3.330 0 50 IGAA CCN(CC(=O)Nc1nnc([C@@H]2CCCO2)s1)Cc1nc(-c2ccc(C)cc2)no1 1529134317 VLYVUMYGYQZKOP-HNNXBMFYSA-N 428.518 3.209 0 50 IGAA CCc1ccc([C@H](C)C(=O)N=[S@](C)(=O)C2CCN(C(=O)C3(COC)CC3)CC2)cc1 2332239005 TXALLXXWMQLSBV-NOVUIFNWSA-N 434.602 3.395 0 50 IGAA COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1C(F)(F)F 815796 ZRVIDQKGIWSTQT-CYBMUJFWSA-N 425.403 3.397 0 50 IGAA COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2Br)cc1OC 1024113 XREGVWDAWKADMU-UHFFFAOYSA-N 438.318 3.385 0 50 IGAA CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@H]3C2=O)cc1 1195880 SKCBYQCCNWGKRK-AYIBLLACSA-N 439.467 3.155 0 50 IGAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 2836544 XGVORLTXSXOGPX-UHFFFAOYSA-N 431.297 3.039 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(F)cc1 6237846 NBTVFKLAHFLNPU-OXRZLYTFSA-N 442.899 3.201 0 50 IGAA CN1CCN(c2ccc(C(=O)N(C)[C@H]3CCCN(C4Cc5ccccc5C4)C3)cc2)CC1 12319677 SUZPFNPNIYHJEE-VWLOTQADSA-N 432.612 3.142 0 50 IGAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)c1 12613138 YNDFRBHZJYTITP-LJQANCHMSA-N 426.561 3.303 0 50 IGAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)C1 13153217 WXSRQGYBCDFLLC-IYBDPMFKSA-N 431.583 3.480 0 50 IGAA COc1cc(/C=C/CN2CC(=O)N(CC(C)C)C[C@H](OCc3ccccn3)C2)ccc1O 14538405 DWNLRAMDLMKUHA-XYXUZSOXSA-N 439.556 3.195 0 50 IGAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 14741474 XSTCASADWYAXJS-UHFFFAOYSA-N 448.567 3.268 0 50 IGAA COCC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 14882382 HLEKJPLVFZBBRP-GJZUVCINSA-N 449.551 3.086 0 50 IGAA COc1ccc(Cc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1OC 20453470 FPERDVXBFUMNAE-JOCHJYFZSA-N 448.567 3.353 0 50 IGAA CCCO[C@@H]1CCCN(Cc2cnc(S(=O)(=O)C3CCCC3)n2CCCOC)C1 55245527 DJKCLWJMIMJKMP-LJQANCHMSA-N 427.611 3.027 0 50 IGAA CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CCCS(C)(=O)=O)cc1 225718893 KDCQEIPMMDHTSL-LJQANCHMSA-N 438.590 3.194 0 50 IGAA Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)Cc1cccc(Br)c1 225833663 QUCCCWRIHDASSL-UHFFFAOYSA-N 425.348 3.466 0 50 IGAA COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)C2=O)cc1 239310128 IEEFNQLQRLGHNH-YPBQGGFRSA-N 435.524 3.305 0 50 IGAA C[C@H](NC(=O)C[C@@]1(C(=O)N[C@H](C)C2CC2)CCN(C(=O)OCc2ccccc2)C1)C1CC1 242273647 YERQBORPLAAWEX-ATLLOTDBSA-N 441.572 3.235 0 50 IGAA CC1(C)C(=O)Nc2ccc(C(=O)CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)cc21 763239478 AATYLJAVAFEQJY-VWLOTQADSA-N 431.492 3.273 0 50 IGAA Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)c2ncc(-c3ccc(Br)cc3)[nH]2)c1C 2325739308 DMTKDVVVDFJOHE-LBPRGKRZSA-N 430.306 3.041 0 50 IGAA CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCC(c4cnn(C)c4)CC3)ccc21 2325820354 QCVWRCPVAJTIFK-UHFFFAOYSA-N 430.574 3.023 0 50 IGAA CCOC(=O)[C@@H]1c2ccc(O)cc2CCN1C(=O)c1ccc(NC(C)=O)c(SC)c1 2325826520 DPWGEZIHAUISAX-FQEVSTJZSA-N 428.510 3.375 0 50 IGAA COc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](NC(C)=O)c1ccccc1)C[C@@H]2C 2325850534 AVMYMOAYFYYNOC-JFJYTDJESA-N 435.524 3.014 0 50 IGAA CC(=O)Nc1cc(C(=O)N(C)Cc2nonc2C)c2c(c1)nc(C)n2Cc1ccccc1 11790193 QQNSDOJSHVWJHP-UHFFFAOYSA-N 432.484 3.315 0 50 IGAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(-n2cnnn2)cc1 14953403 WMMZCDZRFNGASE-IBGZPJMESA-N 438.963 3.342 0 50 IGAA O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 170614646 ALZOIYVVWPBNLY-VQTJNVASSA-N 429.446 3.194 0 50 IGAA O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 212514480 WXRLSNNOPFNBGR-QGZVFWFLSA-N 433.386 3.175 0 50 IGAA C[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccc(S(C)(=O)=O)cc1 225392054 VREOGXVZLPHCIU-OAHLLOKOSA-N 432.567 3.349 0 50 IGAA CN1CCN(Cc2cccc(C(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)c2)CC1 469398872 AODULJSAKQJLTL-DEOSSOPVSA-N 432.568 3.022 0 50 IGAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 756020101 VTUMQHQMNUXCAL-NRFANRHFSA-N 427.451 3.343 0 50 IGAA CC(=O)NCCCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857702484 CQXJVSJZUSDCNS-QHCPKHFHSA-N 429.605 3.391 0 50 IGAA CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)C1 1875262533 BLLOISNFXBNTQU-OAHLLOKOSA-N 445.463 3.213 0 50 IGAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1875371523 DRVABWNNLJZOFX-AZUAARDMSA-N 443.544 3.358 0 50 IGAA CCO[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C)CO2)CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 2325716903 WVXVCIZTPLVHQE-MNZLEMJZSA-N 438.524 3.243 0 50 IGAA CCOC(=O)c1c(NC(=O)CN[C@H](c2ccccn2)C2CCCC2)sc(C(N)=O)c1C 2325723704 HSGZWQOIRBDUMW-SFHVURJKSA-N 444.557 3.187 0 50 IGAA CC(C)c1ccccc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819809 QIKWFJUUDCCNKU-QGZVFWFLSA-N 425.504 3.111 0 50 IGAA CCOC(=O)C1=C(CN[C@@](C)(CC(C)C)c2cccc(Br)c2)NC(=O)NC1 2325860516 KMMDMJJKGPKGMS-FQEVSTJZSA-N 438.366 3.430 0 50 IGAA C[C@H](NC(=O)[C@@H](N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2 2325861685 XOXSTFFXPFRWOK-VOJFVSQTSA-N 449.292 3.053 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1cccs1 631762 KANDDLHGGQZHTR-XBNGYDHASA-N 430.938 3.123 0 50 IGAA CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 986268 IJSZYOHCJLMRCE-UHFFFAOYSA-N 447.376 3.327 0 50 IGAA Cc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(N4CCOCC4)c4nonc34)n2)c1 2800210 BVEQFZSJJXZRIK-UHFFFAOYSA-N 448.483 3.162 0 50 IGAA CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)s1 2963946 DKFMQOATLHHELB-UHFFFAOYSA-N 438.556 3.011 0 50 IGAA COc1ccc(CCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 8438940 QTRDLYHMOHILOT-UHFFFAOYSA-N 430.570 3.378 0 50 IGAA CCOc1cc(CO)cc(I)c1OCc1cccc(C(=O)O)c1 9323005 CWJYLXQIWBTQON-UHFFFAOYSA-N 428.222 3.459 0 50 IGAA COc1ccc(C2(CNC(=O)[C@H]3CCC(=O)N(CCc4ccccn4)C3)CCCC2)cc1 11937169 XEEYWVRMLMELDZ-FQEVSTJZSA-N 435.568 3.500 0 50 IGAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12299005 FTMQQLPIDYOBFD-NRFANRHFSA-N 437.945 3.133 0 50 IGAA COC(=O)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1 12307738 NZMPVAUDZXCXPR-UHFFFAOYSA-N 437.540 3.150 0 50 IGAA COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2nccs2)CC3)cc1 14746243 YXGPXQLGXNEYRS-UHFFFAOYSA-N 442.585 3.402 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCCN(c3ccccc3)CC2)n1Cc1ccccc1 15066027 XJAABPJDOOGHOU-UHFFFAOYSA-N 438.597 3.437 0 50 IGAA COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@H](C(=O)NC5CC5)C4)c3C2=O)c1 15070197 FVTDSFIJOPHQJR-SFHVURJKSA-N 447.535 3.029 0 50 IGAA CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 22926613 SYWXIUZOKPTNTI-OAQYLSRUSA-N 432.634 3.277 0 50 IGAA COc1ccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(OC)c1 263618964 WGYUQENVFHGHDA-MRXNPFEDSA-N 435.528 3.480 0 50 IGAA CNc1nc(N[C@H]2CCCc3nc(C)ncc32)nc(N[C@H]2CCCc3nc(C)ncc32)n1 758454231 WLFFXDJPGKSMOP-OALUTQOASA-N 432.536 3.089 0 50 IGAA COC(=O)[C@@H](NC(=O)Cc1c(-c2ccc(OC)cc2)oc2c(=O)cc(C)oc12)C(C)C 824163895 JHUBMYBEBPGRDH-IBGZPJMESA-N 427.453 3.226 0 50 IGAA biogenic O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1 828552903 QKBHTOFBJTVTDS-HNNXBMFYSA-N 426.897 3.120 0 50 IGAA O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(CN2CCCCC2=O)cc1 921153124 GUYMFQKDSOOTDH-HSZRJFAPSA-N 439.531 3.142 0 50 IGAA Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 952962397 BHCLYAAXENFINL-KRWDZBQOSA-N 428.554 3.128 0 50 IGAA Cn1nc(O)c2c(C(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)cc(C3CC3)nc21 1338308886 GDNOKLURLUGTQV-LJQANCHMSA-N 431.496 3.139 0 50 IGAA O=C1NCCN1CCSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 1875258802 DJNQYSKMGITUTP-UHFFFAOYSA-N 434.447 3.465 0 50 IGAA O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NC[C@H]1[C@@H]2COC[C@H]12 2325724245 HXTJXYGCHDWAQV-QKDCVEJESA-N 435.343 3.314 0 50 IGAA CC(=O)N1CC(CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)C1 2325749265 VRIJNTKZAZHHAV-UHFFFAOYSA-N 443.598 3.142 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 943621 QOPVFWITDZMGQG-GFCCVEGCSA-N 426.494 3.284 0 50 IGAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1206143 ADRASFMZVRWGLU-CQSZACIVSA-N 440.974 3.480 0 50 IGAA CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(=O)O)cc1 2932378 GJWJAXRBBWZKRT-UHFFFAOYSA-N 433.511 3.062 0 50 IGAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 9044280 ZWCFHYLPKNELRJ-KRWDZBQOSA-N 443.525 3.186 0 50 IGAA COc1ccc(Cc2noc(CN3CCN(c4ccc(Cl)cn4)CC3)n2)cc1OC 11662877 OHKFNYSXZJVFSQ-UHFFFAOYSA-N 429.908 3.048 0 50 IGAA CN(CCO)C(=O)c1cn(C2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)nn1 12129579 MALQUMGTEKTHJU-UHFFFAOYSA-N 443.935 3.093 0 50 IGAA O=C(c1ccc(N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1)N1CCC[C@H](O)C1 12451577 XNRSKCMNSPAAHA-SANMLTNESA-N 448.611 3.075 0 50 IGAA Cc1cnc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)cn1 14970042 RWJZDEZFQHFWOJ-OAQYLSRUSA-N 426.536 3.458 0 50 IGAA CCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)c(=O)cc(C)n1CCN1CCCCC1 14989889 JAQWFTGDYJJOFN-UHFFFAOYSA-N 449.555 3.185 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N[C@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1 14998658 RXXRHSSUETZKOW-NHCUHLMSSA-N 435.446 3.482 0 50 IGAA CCOC(=O)N1CCC(N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)CC1 15006274 HFHIUNNGWMXKRP-UHFFFAOYSA-N 427.467 3.361 0 50 IGAA CC(C)N1C[C@H](NCc2cccc(Cl)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32513730 GUTHJYKYBYCVRD-RTWAWAEBSA-N 443.975 3.369 0 50 IGAA COc1ccc([C@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)O)c(OC)c1 170614214 RMGRFFPAXFVZTJ-LJQANCHMSA-N 442.468 3.264 0 50 IGAA CCN1C(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)[C@@H]1Cc1ccccc1 170615467 JKJNNDIDNUHJFW-FQEVSTJZSA-N 429.542 3.117 0 50 IGAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 248341609 WPXPQJKMACCQPD-LYXWCMDISA-N 435.911 3.388 0 50 IGAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1c(F)ccc(F)c1F)CCO2 299759293 FRPWURKKXONSJG-FQEVSTJZSA-N 433.474 3.209 0 50 IGAA Cn1c2ccccc2c2cc(C(=O)N3CCC(=O)N(CCN4CCCCC4)CC3)ccc21 299785472 RRFKDYWHLNYXNG-UHFFFAOYSA-N 432.568 3.492 0 50 IGAA CCOC(=O)c1ccn(-c2cccc(CNC(=O)c3ccn(-c4ccc(OC)cc4)n3)c2)n1 478118318 LZTVGQZUYQHMDL-UHFFFAOYSA-N 445.479 3.173 0 50 IGAA O=C(N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O)c1cncc(C(F)(F)F)n1 1857530319 DXBJLQKYWANCQN-GFCCVEGCSA-N 443.223 3.183 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(S(N)(=O)=O)oc2C)cc1 1875257215 FFFTWMVQTHHRLF-NRFANRHFSA-N 442.537 3.174 0 50 IGAA O=C(Cc1ccc(C(=O)O)cc1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 2325870722 MCGQKFHHBMZRLI-GOSISDBHSA-N 434.414 3.426 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2OC)cc1 1128091 VFBCDUYGBJWOAD-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA O=C(NC(=S)NCCOCc1ccc(Cl)cc1)c1cncc(Br)c1 2121722 RMSVVKVICJKAJN-UHFFFAOYSA-N 428.739 3.319 0 50 IGAA O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 9013937 ZKVNRGVRUCOLOL-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN1CCCCCCC1 11661267 QVJMEMMABQSTQX-FQEVSTJZSA-N 442.604 3.203 0 50 IGAA O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12202630 DYYKJQWOZXDYEK-HXUWFJFHSA-N 426.586 3.166 0 50 IGAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CSc3ccccc3)C2)cc1 12596008 UYAKORXILYOFJU-KRWDZBQOSA-N 434.583 3.004 0 50 IGAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCCC4=O)C3)cc2)c1 12836880 VAWWFNVYYFFLAK-FQEVSTJZSA-N 435.524 3.162 0 50 IGAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)CCn1ccc(C)n1 14882575 HILLZESKXPSYMI-UNMCSNQZSA-N 430.508 3.274 0 50 IGAA COc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1Br 19567331 YQCBMTCKIPSQDA-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA CN(Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)C[C@@H]1COCCO1 19839719 UNBOCGXGELHYPP-GOSISDBHSA-N 434.968 3.241 0 50 IGAA O=C(Nc1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)c1cccc(Cl)c1 20598252 UVVXEWZTVUQONM-UHFFFAOYSA-N 442.991 3.171 0 50 IGAA CC(C)N(Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@H]1CCC(=O)N1 20864472 JAGVTRREYWOPKL-QGZVFWFLSA-N 431.606 3.291 0 50 IGAA COc1ccccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777566 IGFSCKWXVHGBIN-UHFFFAOYSA-N 430.468 3.481 0 50 IGAA Cn1cc(-n2cc(C(=O)N3CCC(c4cccc(Br)c4)CC3)ccc2=O)cn1 466805217 QQUBCAWAIQXDSQ-UHFFFAOYSA-N 441.329 3.353 0 50 IGAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952894427 QXMXSUYBYRNZST-IBGZPJMESA-N 428.374 3.354 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cnc3ccccc3c2)C1 1857685502 WEZQBKIEHKUCET-MVERNJQCSA-N 436.600 3.064 0 50 IGAA Cc1noc2ncc(C(=O)NC[C@@H]3[C@@H](C)CCCN3C(=O)c3cnc4onc(C)c4c3)cc12 1875264751 UXRRQBRXFHSZHC-HXPMCKFVSA-N 448.483 3.047 0 50 IGAA CC[C@@H](OC(=O)CCOc1ccc(Br)cc1F)C(=O)N=c1cc(C)o[nH]1 2325744366 NPWBPEDAWWHFEA-CYBMUJFWSA-N 429.242 3.036 0 50 IGAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 691990 WXHRTBLQUUYSML-UHFFFAOYSA-N 434.514 3.447 0 50 IGAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 1061277 YEVOSTMOPIUYPN-UHFFFAOYSA-N 428.441 3.388 0 50 IGAA Cc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 1069754 GHEYXICGZWUMLK-UHFFFAOYSA-N 436.541 3.491 0 50 IGAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(N(C)C)cc3)n2C)c1 10163549 RXDUONXUSGXZON-UHFFFAOYSA-N 427.530 3.296 0 50 IGAA CCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2COC)(c2cccc(C(F)(F)F)c2)C1=O 11840021 FOSZTAKKFIHUEF-LAUBAEHRSA-N 440.462 3.140 0 50 IGAA O=C(Cn1nc2ccccc2n1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12074656 WSCZOTVLNZIFME-HSZRJFAPSA-N 425.483 3.224 0 50 IGAA O=C(Cc1cccc(Cl)c1)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 12098644 BZNHVEXZNWCJPI-FQEVSTJZSA-N 427.932 3.248 0 50 IGAA Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@H]4COCCO4)c3C3CC3)n2)c(C)s1 12128416 GVZYIVKPHGYVLY-INIZCTEOSA-N 439.541 3.030 0 50 IGAA COc1cc(-c2n[nH]cc2CN2CCN(C3CCCCC3)C(=O)C2)cc(OC)c1OC 12447323 DCBRPGAYMGAESY-UHFFFAOYSA-N 428.533 3.079 0 50 IGAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)CCc2ccncc2)CC1=O 14541423 QERPANPRCUKTBP-JOCHJYFZSA-N 427.520 3.066 0 50 IGAA CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1 14879760 OWSRJNBAEMFHND-GOSISDBHSA-N 449.555 3.235 0 50 IGAA CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 16475429 GPUHLWFSBAKKJN-KRWDZBQOSA-N 432.542 3.306 0 50 IGAA O=C(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 19892042 DOYRSIYTQFVMGZ-HSZRJFAPSA-N 446.503 3.384 0 50 IGAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1OC 206229443 SWRGPXVKFHQFHT-GOSISDBHSA-N 436.468 3.024 0 50 IGAA CC(C)(C)OC(=O)N[C@H](c1noc(CCCC(N)=O)n1)c1ccccc1OC(F)(F)F 252494333 NSGXXNRGNACKOC-HNNXBMFYSA-N 444.410 3.390 0 50 IGAA CC(C)NC(=O)[C@@H]1C[C@H](NC2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1 299757130 NAVWJOAPDZUQGP-UIOOFZCWSA-N 434.628 3.408 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2)C2(CCCCC2)O1 299763039 ZBVOYMOSGHBQKZ-SFTDATJTSA-N 438.568 3.240 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(Cl)c2F)C1 1857705066 RARFJMXFCWHSKF-SELNLUPBSA-N 437.987 3.308 0 50 IGAA Cc1csc(C[C@@H](C)n2cc(C3(F)CN(C(=O)[C@H]4CC5(CCCC5)CO4)C3)nn2)n1 1875338305 SNDNLIKZLPFXOY-HZPDHXFCSA-N 433.553 3.203 0 50 IGAA O=C(NC1CN(C(=O)C2(c3ccc(F)c(Cl)c3)CC2)C1)c1cn(C2CCCCC2)nn1 2325828383 FZFYAHMIJUUCOW-UHFFFAOYSA-N 445.926 3.248 0 50 IGAA COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1OC 2720347 UNTPEXBRMCIICS-UHFFFAOYSA-N 440.525 3.195 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 2840919 RRZHXDPOPPBFOV-UHFFFAOYSA-N 431.905 3.220 0 50 IGAA COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1F 8601460 UPAPXEPWHHADRU-UHFFFAOYSA-N 446.529 3.435 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)Cn2ncc3ccccc32)C1 11840251 WVYQZGRNPXLKHC-VWLOTQADSA-N 435.524 3.460 0 50 IGAA COC(=O)[C@@H]1CC(=O)N(CCC(C)C)C12CCN(Cc1cccc(OC)c1OC)CC2 11880618 DCJJWMAKHPLRLT-IBGZPJMESA-N 432.561 3.106 0 50 IGAA COC(=O)c1cccc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 12308712 VRGGHOSSUNCMQA-LJQANCHMSA-N 437.540 3.202 0 50 IGAA O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3cnsn3)CC2)cc1 12429854 KPKDLRVUVHDAJU-UHFFFAOYSA-N 436.537 3.194 0 50 IGAA COc1ccc(CNCCCn2cccn2)cc1OC[C@@H](O)CN1CCCCCCC1 12441962 ZQSJUXNARQDVDX-QFIPXVFZSA-N 430.593 3.077 0 50 IGAA CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2(C)CC2)CC1=O 14534427 IHCZWSQWPPKJTA-QGZVFWFLSA-N 428.451 3.350 0 50 IGAA CCn1c(CNC(=O)c2ccc(F)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 16361443 QDIHBGYSTGHNNJ-PBHICJAKSA-N 433.553 3.154 0 50 IGAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCCC[C@@H]1CO 19300252 AWKKMTGRNQVUCK-RUZDIDTESA-N 427.633 3.169 0 50 IGAA COc1ccc(OC)c(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 55198324 OOURECOPWXANJP-FQEVSTJZSA-N 427.520 3.270 0 50 IGAA CSc1ccc(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 71281265 NTMKYMDLAHSIKZ-UHFFFAOYSA-N 448.592 3.413 0 50 IGAA COc1ccc(N[C@@H]2CC(=O)N(c3ccc(I)cc3C)C2=O)cc1 101128604 QUDUDLBPKUZIRW-OAHLLOKOSA-N 436.249 3.352 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]12C 257349666 QAQQLQSWRWRRJU-DKBFABNRSA-N 448.556 3.471 0 50 IGAA CO[C@H](C(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1)c1ccc(O)cc1 426303964 ANPWNCBGWJDCQK-FQEVSTJZSA-N 428.466 3.158 0 50 IGAA C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 752758644 AMJKJFBVIGLTIP-BTDLBPIBSA-N 426.325 3.169 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCCc2ccccc2)C1 1857681252 FUGAYQPMHZFIEV-RMTZWNOUSA-N 427.633 3.338 0 50 IGAA O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)Nc1cccn(Cc2ccccc2)c1=O 1875253819 NTXHPEPQEOYPFS-LJQANCHMSA-N 429.423 3.353 0 50 IGAA CN(C)CC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCN(C)C)CC1 2325727413 CSQZDYPQKVAYOK-ZJZGAYNASA-N 448.696 3.458 0 50 IGAA CCc1ccccc1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 1052459 MZDQVIMYJVVNBL-GOSISDBHSA-N 426.494 3.039 0 50 IGAA Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1C 1130536 BEVCFACFTDRBRL-MRXNPFEDSA-N 426.498 3.300 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)ncn1 2738247 BHAQZNZNQFFYPU-UHFFFAOYSA-N 442.497 3.326 0 50 IGAA O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(SCC(=O)c2ccccc2)s1 2866194 ZSVOWVHDDKIPGX-UHFFFAOYSA-N 426.479 3.060 0 50 IGAA Cc1ccccc1Cc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O 9614662 GCYRLTLDMGJUFM-UHFFFAOYSA-N 432.524 3.028 0 50 IGAA Cc1c[nH]c(CN(C)Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)n1 11820443 INEUNYWGQXSAHC-UHFFFAOYSA-N 449.603 3.088 0 50 IGAA O=C1CCCCN1CC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 11938595 QKXARWMHHYCQTK-JOCHJYFZSA-N 426.605 3.467 0 50 IGAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)N2CCCOc3c(cccc3OC)C2)c1=O 11977258 CMHGFJHCDSUYTL-MRXNPFEDSA-N 441.528 3.003 0 50 IGAA O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC[C@H]1COc2ccccc2O1 12076382 HQHCJSDANXKEHY-KRWDZBQOSA-N 432.480 3.421 0 50 IGAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N1CCCOc3c(cccc3OC)C1)C2 12165820 KJICEAUIHYIRJZ-KRWDZBQOSA-N 426.513 3.098 0 50 IGAA COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cc1 12570694 WKYSJTHAUARRNQ-RUZDIDTESA-N 443.547 3.369 0 50 IGAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13680524 ZIBZFPYNNNXCGP-UHFFFAOYSA-N 441.475 3.348 0 50 IGAA CCn1c(C(=O)OC)c(NC(=O)[C@H]2CCOC2)c2cc(N[C@H](C)CC(C)(C)OC)cnc21 14740768 MQELNWXABDUIPD-CABCVRRESA-N 446.548 3.433 0 50 IGAA Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 23129318 AQTBCYOBSYJUNM-AWEZNQCLSA-N 431.512 3.476 0 50 IGAA COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 44803468 CENMEEKQENJUAT-LJQANCHMSA-N 431.540 3.204 0 50 IGAA O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 170636924 APMUCYVWBNBHRP-PSMGESJCSA-N 436.911 3.433 0 50 IGAA O=C(NCc1ccco1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 225768278 QUFHQSMIKAABJB-MWDDYTRKSA-N 426.494 3.221 0 50 IGAA C[C@H](NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 245284902 USZKNERQFHMCFU-DFQSSKMNSA-N 445.519 3.457 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21 253398332 CBHAAIFAQOMMAF-MOXWOTFGSA-N 442.585 3.396 0 50 IGAA biogenic CC(C)c1nc(NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n[nH]1 263587125 CNKWUJGBQSGNFI-INIZCTEOSA-N 426.521 3.494 0 50 IGAA O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(=O)c1ccc(Cl)s1 429809771 PDVOLZJJOGMTQH-UHFFFAOYSA-N 427.916 3.480 0 50 IGAA Cc1ncsc1C(=O)NC1CCN(c2nn3cc(-c4cccnc4)nc3s2)CC1 1875258879 INKGSLOCYVLUBJ-UHFFFAOYSA-N 425.543 3.017 0 50 IGAA Brc1ccccc1[C@H]1CN(c2nnc([C@@H]3COCCO3)n2CC2CC2)CCO1 2325839847 GZDXEKURNNJHKG-MSOLQXFVSA-N 449.349 3.116 0 50 IGAA CCc1ccc([C@@H](C)C(=O)N=[S@](C)(=O)C2CCN(C(=O)C3(COC)CC3)CC2)cc1 2332239004 TXALLXXWMQLSBV-BJLXPSRBSA-N 434.602 3.395 0 50 IGAA COc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 1143800 FRQZKUBSPOLKPP-AWEZNQCLSA-N 425.514 3.046 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)N[C@@H]2CCc3ccccc32)(c2ccccc2C)C1=O 12098434 JMPJLPZNUMUWRC-ATIYNZHBSA-N 434.536 3.222 0 50 IGAA CSc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccncc4)C3=O)CC2)cc1 12182174 KHHNFCCMYZHHDM-HSZRJFAPSA-N 438.553 3.166 0 50 IGAA COc1ccc(CN2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1C 12190259 OHDHERCDFPTWAT-FQEVSTJZSA-N 449.551 3.101 0 50 IGAA Cn1nccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@@H](C(C)(C)C)C2 17097171 JYEAEWYDDHNXKN-CQSZACIVSA-N 430.574 3.357 0 50 IGAA CCOC(=O)C[C@@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 20541551 KTCLMUXLFFGWPQ-FQEVSTJZSA-N 447.601 3.227 0 50 IGAA CC(C)C(=O)N(Cc1cc2ccc(F)cc2nc1N1CCC(O)CC1)C[C@@H]1CCCO1 20905543 VIQYYSVITINEPH-NRFANRHFSA-N 429.536 3.499 0 50 IGAA CCN1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)[C@@H](C)C1=O 55199700 JRVHIYKKMAJVJZ-SFHVURJKSA-N 432.524 3.380 0 50 IGAA COc1cccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1 169760226 JWQZRRKNJAHDNF-UHFFFAOYSA-N 442.519 3.362 0 50 IGAA CO[C@@H](C)c1nc(CN2CCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)CC2)cs1 229437530 LLEDGZKEDZDQTF-YJBOKZPZSA-N 433.622 3.114 0 50 IGAA O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)CC3 238117828 KBHUFSBZJPINIK-LJQANCHMSA-N 445.519 3.232 0 50 IGAA CC[C@@H](C(=O)Nc1ccc(F)cc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 245236976 AGVMIZOHBKOURH-BEFAXECRSA-N 426.492 3.239 0 50 IGAA O=C(Nc1ccc(O)cc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 478282764 QMJCIWHRWADRGP-NRFANRHFSA-N 444.459 3.425 0 50 IGAA COc1c2occc2c(OC)c2c(=O)cc(C(=O)NC[C@H]3CCN(CC(C)C)C3)oc12 670457672 ILSKDKDSORNGRU-CQSZACIVSA-N 428.485 3.264 0 50 IGAA CC(C)(C)OC(=O)N1CCC(n2cc(NC(=S)NCCc3cccnc3)cn2)CC1 757931800 JNAUPAKCLKJRBE-UHFFFAOYSA-N 430.578 3.379 0 50 IGAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)CC1 1875261476 ALCVMQZDEXNCCH-RDPSFJRHSA-N 437.565 3.351 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 1435757 JTVCOJURBGSKMC-QFIPXVFZSA-N 442.562 3.389 0 50 IGAA CCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n3n2)cc1 2699535 YDQLMSAKSLLBJS-ZHZULCJRSA-N 435.505 3.470 0 50 IGAA Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2 2775027 KIWCEJUFTYFUHV-UHFFFAOYSA-N 437.241 3.103 0 50 IGAA Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 8609414 RSCISTYLKUGTPE-UHFFFAOYSA-N 441.484 3.326 0 50 IGAA COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2cc(C)cc(C)c2)c1N 9678042 RKISJBBZGFAZOP-UHFFFAOYSA-N 428.880 3.030 0 50 IGAA Cc1cccc(CNC(=O)c2sc3ncnc(NC[C@H]4CCS(=O)(=O)C4)c3c2C)c1 11996133 BYDNXSLGTZYIFU-MRXNPFEDSA-N 444.582 3.085 0 50 IGAA Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 15008933 BZBOBXOGXPAAQV-INIZCTEOSA-N 448.614 3.467 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CSc2ccncc2)C1 20119345 CCETYLNLBYYMLQ-IBGZPJMESA-N 426.586 3.289 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1ccccc1Cl 23359737 JKRYTNOJGWGAGR-KKSFZXQISA-N 437.918 3.114 0 50 IGAA Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4Cl)ccc32)c1-c1ccccc1 40391029 FLAJICMTQJIYDG-UHFFFAOYSA-N 430.855 3.452 0 50 IGAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CN2C(=O)c3ccccc3C2=O)C1 143699017 LITNIKUYVXZSRX-HNNXBMFYSA-N 445.516 3.139 0 50 IGAA COC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 239203472 SKVDKPAIMJETCO-LCZPJTDVSA-N 448.519 3.024 0 50 IGAA COc1cccc(C(=O)N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc2)c1 239275156 BGGHSYCQLMCMBU-CSCWZEDUSA-N 428.488 3.353 0 50 IGAA O=C(N[C@H]1CCCN(c2ncccn2)C1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 481258469 PDAQGUNISFPXBC-GHTZIAJQSA-N 449.477 3.165 0 50 IGAA CC(C)N1CC[C@H](C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 1327420593 DMIXHEMFCNJHIK-BGWNEDDSSA-N 449.599 3.209 0 50 IGAA COc1ccc(-c2c(C)nn(C)c2NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 1529161618 NBHYCLXKGQBBGQ-UHFFFAOYSA-N 434.496 3.129 0 50 IGAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(Cc2ccc(-c3cc[nH]n3)o2)CCCN1 1875240170 KKFHQKPUMLRHLF-FQEVSTJZSA-N 449.555 3.062 0 50 IGAA O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCN(Cc3cccn3-c3cccnc3)CC2)N1 11790421 HJHJIBFSZYNLTE-RUZDIDTESA-N 447.514 3.044 0 50 IGAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@@H](c2ccncc2)c2ccc(C)cc2)c1=O 12242700 AGJAXJCRSRGUQS-HSZRJFAPSA-N 446.551 3.477 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CN2CCCCC2=O)CC1 12575279 IOAWPXZZJWNYPE-DEOSSOPVSA-N 441.616 3.227 0 50 IGAA COc1cc(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)cc(OC)c1OC 13370681 SXJYEACVCCADDJ-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(/C=C/c2nc(-c3cccc(N4CCC4=O)c3)no2)cc1 225515500 SQHZCPAZCHYBAV-DHZHZOJOSA-N 438.509 3.330 0 50 IGAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 239305993 GHELZGBQBRYADY-HPBDAGMYSA-N 443.240 3.251 0 50 IGAA O=C1CSC(=O)N1Cc1ccc(NS(=O)(=O)CCCOCc2ccccc2)cc1 253425165 QDWPFFBNPYAYNC-UHFFFAOYSA-N 434.539 3.231 0 50 IGAA C[C@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccc2c(c1)CC(=O)N2 475228574 DDKJQIYNPUUPQN-ZDUSSCGKSA-N 427.464 3.327 0 50 IGAA C[C@@]1(c2ccc(F)cc2)CCN(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)C1 483157824 LDSLINVLYVSWGY-XMMPIXPASA-N 425.504 3.171 0 50 IGAA C[C@@]1(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)Cc2ccccc2C(=O)O1 728498510 NIMXBEGYCUMZOD-DEOSSOPVSA-N 429.480 3.433 0 50 IGAA O=C(Nc1cccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1)[C@@H]1Cc2ccccc2O1 732773324 PFMARWOHYXQZJW-GMAHTHKFSA-N 447.535 3.246 0 50 IGAA COC(=O)C[C@@H](c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O)c1ccnc2ccccc12 888088865 VFWVBBKEGNXRIM-LJQANCHMSA-N 432.480 3.071 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(S(N)(=O)=O)s2)cc1 1875262639 CRGBBWBMYUCOJE-LJQANCHMSA-N 444.578 3.334 0 50 IGAA CCCOc1cc2c(cc1CN1C[C@@H]3COCC[C@]3(C(=O)N3CCCC3)C1)O[C@H](C)C2 1875391938 FUOBPCKZWATHGM-JYMRHQFYSA-N 428.573 3.260 0 50 IGAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)Nc1cccc2c1CN(CC(F)(F)F)C2 2325700760 FLOIJOPWQLEMNR-OAHLLOKOSA-N 434.466 3.393 0 50 IGAA Cn1c(=O)c2c(nc(OCc3ccc(Cl)cc3)n2Cc2ccccc2Cl)n(C)c1=O 1127829 JUUQTFDGHVJDNL-UHFFFAOYSA-N 445.306 3.368 0 50 IGAA O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 2748298 YZIXXJXMEFYJTL-UHFFFAOYSA-N 434.477 3.448 0 50 IGAA Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 8779804 SBHHPPCAAYCRQS-UHFFFAOYSA-N 443.551 3.203 0 50 IGAA biogenic,in-vitro O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)N1CCC(Cc2ccccc2)CC1 12836816 QKNSTCQEXVJJJZ-UHFFFAOYSA-N 439.600 3.109 0 50 IGAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@@H]2CCCO2)c2ncc(N[C@@H](C)CCO)cc12 14749622 VNNMFHVMLQWTLF-ZOBUZTSGSA-N 446.548 3.169 0 50 IGAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 40286317 TVSBWRYKXXCDPW-UHFFFAOYSA-N 441.890 3.213 0 50 IGAA Cc1nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(-n2ccnc2)n1 65362234 UUJILQULGYESFZ-UHFFFAOYSA-N 431.422 3.344 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)cc1 169775900 KWBJEXOZUQOGFM-UHFFFAOYSA-N 445.523 3.058 0 50 IGAA O=C(COc1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777543 GZVOFPPFUGXPHX-UHFFFAOYSA-N 448.458 3.377 0 50 IGAA Cc1noc([C@H]2COCCN2C(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)n1 170594341 PVOROBNDYOEXHC-OAQYLSRUSA-N 432.480 3.185 0 50 IGAA COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)O)c2)o1)c1c(O)n2ccccc2nc1=O 205949736 MNRKKSNSPIIGQF-HNNXBMFYSA-N 434.404 3.053 0 50 IGAA O[C@H]1CN(Cc2ccc(OC(F)F)cc2)CC[C@@H]1N1CCN(CCc2ccccc2)CC1 206064130 HEJUUFKXOLIKBV-ZEQRLZLVSA-N 445.554 3.084 0 50 IGAA COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 242723160 YEWKVMBYNZAGPX-QCCYXRBGSA-N 437.584 3.375 0 50 IGAA Cc1cccc2nc(C3CCN(C(=O)c4cccc([C@@]5(C)NC(=O)NC5=O)c4)CC3)oc12 444557899 WPIWXQOHQGHKGI-XMMPIXPASA-N 432.480 3.211 0 50 IGAA Cc1c(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cnn1-c1ccc(O)nn1 486977007 MTLGZRCTNQGXIM-UHFFFAOYSA-N 446.442 3.249 0 50 IGAA CN(C)C[C@H](Nc1ncncc1C(=O)NC[C@@H]1CC(C(C)(C)C)=NO1)c1ccc(F)cc1 1875355966 IKIYNRCOSKMHOA-HKUYNNGSSA-N 442.539 3.251 0 50 IGAA Cc1cncc(CC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)c4ccc5c(c4)ncn5C)C3)C2)c1 2325818070 XTJQWZITFROXOD-YADHBBJMSA-N 445.567 3.220 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1)c1ccc2cccnn12 2332238612 FMVRGJWDQHYIOT-JGVYIQDASA-N 438.500 3.000 0 50 IGAA CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)nc1N 2886744 RHTTZLSADWHBEU-GOEBONIOSA-N 440.550 3.330 0 50 IGAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)/C=C/c2ccccn2)C3)cc1 12047666 SABYJYIKUURITR-XEDBTPMOSA-N 434.517 3.285 0 50 IGAA COc1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(F)cc3)n2C)c1 12383995 MVROQTGWQQGGPZ-CYBMUJFWSA-N 443.504 3.185 0 50 IGAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C1CCCC1)CC2 14535779 QYRKWKUXUFYSGW-UHFFFAOYSA-N 429.561 3.273 0 50 IGAA O=C1CN(C2Cc3ccccc3C2)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 14541948 DYGJINMMCUPOHH-SANMLTNESA-N 427.548 3.479 0 50 IGAA C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2)c1ccccc1 14744191 YYGJPWLVHFYCFN-SFHVURJKSA-N 443.551 3.406 0 50 IGAA Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 15067965 LOAKEAKZRJYJNY-UHFFFAOYSA-N 430.556 3.293 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccccc4F)CC3)c2c1 20177555 GKKVYJADBONPLU-UHFFFAOYSA-N 439.487 3.087 0 50 IGAA C[C@H](NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)[nH]c1=O)c1cccs1 22923302 FUCXLICQAMQHOZ-SFHVURJKSA-N 436.581 3.245 0 50 IGAA CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 71754836 QPIORAANRLQUHB-UHFFFAOYSA-N 439.468 3.250 0 50 IGAA CO[C@H](C)C(=O)N1CCC(CN(CC(F)(F)F)C(=O)[C@@H](C)OC)(c2ccccc2)CC1 170600397 BMRSLBVQXUECLU-IAGOWNOFSA-N 444.494 3.008 0 50 IGAA CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cn1C 170619773 NPJZJMFRPQVWNW-LJQANCHMSA-N 441.557 3.033 0 50 IGAA Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)cc1Br 239432966 XAJRWMRGRYGNSD-QPSDCTRZSA-N 443.341 3.446 0 50 IGAA Cc1noc([C@H]2CCCN(c3ncc(Cl)c(N4CCC[C@@H](c5nc(C)no5)C4)n3)C2)n1 302003597 YLNJRKVSHZFHKG-CABCVRRESA-N 444.927 3.281 0 50 IGAA C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1csc(CC(=O)Nc2ccccc2)n1 439952015 RUUUKIJGFBACGY-OAHLLOKOSA-N 444.582 3.165 0 50 IGAA C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)C[C@@H](C)O1 729295693 CAHSRXYDNIQSMV-HRCADAONSA-N 432.517 3.215 0 50 IGAA Cc1ccc(C)c(OCCc2nnc(NC(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)s2)c1 1529186318 XBJCXPMDXXLBKS-IYBDPMFKSA-N 441.561 3.063 0 50 IGAA CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)C[C@@]2(CCc2ccccc2)C1 1772808172 HSKQODJHUCHCLZ-DENIHFKCSA-N 432.973 3.442 0 50 IGAA O=C(N[C@@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1)c1cccs1 1875262061 SDYLZVGIAQLKLO-AZUAARDMSA-N 425.554 3.127 0 50 IGAA CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1cscc1C(F)(F)F 1875317036 MGLCCAIJTPPEKP-UHFFFAOYSA-N 432.442 3.005 0 50 IGAA Cc1noc(C(C)C)c1C(=O)N=[S@]1(=O)CCCN(C(=O)c2cnn(CC(C)C)c2)CC1 2332238216 GHBHFENBSFYBGU-HKBQPEDESA-N 449.577 3.113 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=N1 630925 DSADTPFTCSHYBO-XGHXRCDJSA-N 442.537 3.387 0 50 IGAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1 2430228 GDNWRIQWTSWIDK-UHFFFAOYSA-N 439.951 3.490 0 50 IGAA CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 6552612 HMWONRXVMIOECP-UHFFFAOYSA-N 448.541 3.142 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CSc2ncccn2)C1)NCc1ccc(F)c(F)c1 11774840 UTNAVUXNCWVUPN-HNNXBMFYSA-N 434.512 3.182 0 50 IGAA Cc1ccc(C2(c3noc(CN4CCC[C@@H](C(=O)N5CCOCC5)C4)n3)CCCC2)cc1 11813647 MURGBPXGFAVRQS-HXUWFJFHSA-N 438.572 3.309 0 50 IGAA CC(C)COc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 12382367 IVCQXWPSDSNEQZ-UHFFFAOYSA-N 431.558 3.055 0 50 IGAA O=C(CCC1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1)Nc1ccc2c(c1)OCCO2 12458848 AQMOTMJBNCOZHL-QHCPKHFHSA-N 436.508 3.419 0 50 IGAA O=C(NCc1ccco1)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 14983399 AIXKIHGPYFNNII-UHFFFAOYSA-N 444.491 3.004 0 50 IGAA O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 15345821 JCHJVLZPOAIYGL-UHFFFAOYSA-N 441.597 3.143 0 50 IGAA CCCCOc1ccc(I)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 16382609 LIPCGBMKRAOFIW-HNNXBMFYSA-N 444.269 3.271 0 50 IGAA O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCCN1CCOCC1 19894377 LRYHHJBEYIREKE-UHFFFAOYSA-N 446.520 3.155 0 50 IGAA COc1ccc(CN(C)CCN2CCCC2)cc1OC[C@@H](O)CN1CCCCCCC1 20205559 OYMOXIZAWUYJCK-QHCPKHFHSA-N 433.637 3.229 0 50 IGAA CCn1cc([C@H]2C=C(c3ccc(I)cc3)Nc3ncnn32)c(C)n1 20606566 NNOMJVAHYHDMRH-MRXNPFEDSA-N 432.269 3.464 0 50 IGAA O=C(NCCc1cccs1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760246 CGGBTOQZGSTIIC-UHFFFAOYSA-N 432.549 3.457 0 50 IGAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1 245312068 SBHPYWUIZUXOQZ-XSDIEEQYSA-N 436.895 3.378 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)NC[C@@H]2CC23CCCCC3)(c2ccccc2)C1=O 299779530 UKXLLFLYZWUNDA-CPJSRVTESA-N 426.557 3.197 0 50 IGAA O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 429012965 WGJOIRSJGQALEC-GOSISDBHSA-N 448.361 3.245 0 50 IGAA COc1cccc2c1OC[C@@H](NC(=O)C1(c3ccc(S(C)(=O)=O)cc3)CCCCC1)C2 824801234 DPXZEMFWNIHJAP-IBGZPJMESA-N 443.565 3.421 0 50 IGAA COCCN(CCOc1ccccc1F)Cc1cc(Cl)c(OCC(=O)O)c(OC)c1 1506421549 ILKUCDBLQNADJK-UHFFFAOYSA-N 441.883 3.479 0 50 IGAA C[C@H](CCO)C1(CNC(=O)c2cn([C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nn2)CCC1 1875334022 VFJLUXTXYPSDAV-ZIFCJYIRSA-N 449.596 3.205 0 50 IGAA CCOC(=O)COn1c(=O)c(-c2ccc(Oc3ccccc3)cc2)[n+]([O-])c2ccccc21 1109085 LYFPELDPEGPZSL-UHFFFAOYSA-N 432.432 3.086 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1/C=C/c1ccccc1 4031086 ABBHYENHHQTLLR-QYNIZNDKSA-N 434.492 3.212 0 50 IGAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2Cc1cccc2ccccc12 9159560 ZBJZKKYNXOSNOW-UHFFFAOYSA-N 425.492 3.279 0 50 IGAA COCCC(=O)N1CCC[C@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 11997423 WKGFKOKZHHUEDQ-INIZCTEOSA-N 447.532 3.290 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 15066486 GIPWRVYWOZCMOB-VWLOTQADSA-N 443.588 3.103 0 50 IGAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 82230584 CJDSFUUIZMAELW-UHFFFAOYSA-N 443.495 3.185 0 50 IGAA CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 225743291 HHMMLGATHJCXOW-ZMSDIMECSA-N 434.533 3.332 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(C(C)=O)cc6)C(=O)[C@@H]45)[C@H]23)cc1 245256751 SGFCGXPPKHOTIJ-OUHFAEGLSA-N 430.460 3.072 0 50 IGAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 248177568 BGLVWKQWSIACFQ-XPNTWCBSSA-N 443.503 3.324 0 50 IGAA O=C(Nc1ccc(O)cc1F)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 478282768 QMJCIWHRWADRGP-OAQYLSRUSA-N 444.459 3.425 0 50 IGAA C[C@]1(c2ccc(CNC(=O)N3CCc4c(Cl)cc(Cl)cc4C3)cc2)NC(=O)NC1=O 485486517 DBCBNZZJRMVECC-OAQYLSRUSA-N 447.322 3.316 0 50 IGAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1CCCN(Cc2cccs2)C1 827860733 CODOZCOJKWOGQW-CYBMUJFWSA-N 433.883 3.363 0 50 IGAA CC[C@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1OC 1471279058 DBAUGUHZXZOFMT-QKYXUNIQSA-N 427.419 3.082 0 50 IGAA OC[C@]12CN(Cc3nc(-c4ccccc4)no3)C[C@@H]1CN(Cc1ccc(Cl)s1)C2 1772806831 KMBYYBKRTHCYEM-KKSFZXQISA-N 430.961 3.378 0 50 IGAA O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1Cc2cccnc2N2C[C@H](O)C[C@@H]2C1 1875268179 FFXUNYWSWGHPNM-QZTJIDSGSA-N 449.532 3.177 0 50 IGAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 1875371449 BFHJNXUWQXNZHA-UHFFFAOYSA-N 439.463 3.058 0 50 IGAA COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 851722 ABMHXBFHOUUGAP-CQSZACIVSA-N 432.270 3.237 0 50 IGAA CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CCCC3 2265367 DIFSNZYNOKPDAV-UHFFFAOYSA-N 442.566 3.186 0 50 IGAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2837056 NQNCVKXSKPJQCX-HZPDHXFCSA-N 447.557 3.017 0 50 IGAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C=O)cc2)CC1)c1ccccc1 11872947 VJTRXMHUJMJXSQ-HSZRJFAPSA-N 446.507 3.499 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(OC)nc2OC)C1 12709366 CMJADYOCOMRZPR-QHCPKHFHSA-N 448.466 3.405 0 50 IGAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1ccc(O)cc1)C2 14541965 SQFCZZZQIMGCDQ-UHFFFAOYSA-N 445.567 3.129 0 50 IGAA CSc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCc2ccccc2Cl)cc1 14960242 JKMJCXMEYXOQOO-XLIONFOSSA-N 442.976 3.180 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)c(C)c1 15835737 DSLJTGLFOCVHCY-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1)N1CCN(c2ccccn2)CC1 19147310 CDUWBSIYKWRZEZ-GOSISDBHSA-N 442.510 3.341 0 50 IGAA CCOC(=O)c1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c[nH]1 170614487 APYZTZWUXWAACO-CYBMUJFWSA-N 425.272 3.137 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 170636210 BHDPYZYOYSCOGF-GOSISDBHSA-N 432.590 3.090 0 50 IGAA O=C(c1cccc(Br)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 221644540 FHTKQLWKRUPVFH-UHFFFAOYSA-N 427.302 3.343 0 50 IGAA Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@H]3c3nc(-c4cccs4)no3)cn2)n1 225661580 FDNWZDBVKOGHPZ-INIZCTEOSA-N 436.497 3.209 0 50 IGAA CC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)cc1 238997426 AGAVJZCPHBSLDV-XGYJEICISA-N 432.520 3.440 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 409414819 OYAHLUCCWAKOQL-UCKMRUJXSA-N 441.616 3.336 0 50 IGAA biogenic O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 426242762 HXVKTYDOXBKGTB-YSEBXJKWSA-N 448.394 3.380 0 50 IGAA O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)ccc21 471577179 IKZUMRKQPKQBGK-RUZDIDTESA-N 445.496 3.335 0 50 IGAA CN1CCC2(CC1)C[C@@H](NC(=O)c1cnn(CCO)c1-c1ccccc1)c1ccccc1O2 474787927 OGOXPZBCZJIIAW-JOCHJYFZSA-N 446.551 3.260 0 50 IGAA COc1ccc([C@@H](CNC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)N2CCCC2)cc1 497849258 WTNCPWZTHRGEPS-HSZRJFAPSA-N 442.604 3.409 0 50 IGAA Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccc(Nc3ncccn3)cc2)CC1 1875263171 FCZMUOXIHNXNSC-LJQANCHMSA-N 445.523 3.281 0 50 IGAA NC(=O)Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 2325735755 FQBUYJQHGJMOAS-JOCHJYFZSA-N 449.938 3.025 0 50 IGAA Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@@H](N)c3ccc(F)cc3F)cs2)c1 2325851577 CSYHNDLVKZFVOU-QGZVFWFLSA-N 446.479 3.046 0 50 IGAA O=C(Nc1ccc(C(=O)N[C@@H]2c3cccc(O)c3C[C@@H]2C(=O)O)c(Cl)c1)NC1CC1 2325898457 DCWUYIIPJAIWML-MAUKXSAKSA-N 429.860 3.058 0 50 IGAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)CCC2CCC2)CCO3)ccn1 2332238300 KKOXAJDEXWMKSM-RQBWVHPZSA-N 447.601 3.406 0 50 IGAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 660604 BTPZCZKEUNIEJM-UHFFFAOYSA-N 442.368 3.108 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 811751 XMSCLGHSCBXJNE-UHFFFAOYSA-N 438.933 3.397 0 50 IGAA COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1119554 KPEWMXBEXZNXCX-UHFFFAOYSA-N 446.525 3.102 0 50 IGAA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@@]1(NC(=O)c1ccccc1)C(F)(F)F 2863575 DWYMPCIYQBDMQU-JOCHJYFZSA-N 446.425 3.249 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)CC1 9226853 AFJUPRBVTQOYHO-UHFFFAOYSA-N 443.525 3.044 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCc2cc(F)cc(F)c2)c1=O 12099792 ZWHNDDFDPDERRX-UHFFFAOYSA-N 443.450 3.228 0 50 IGAA COc1ccc(N2C(=O)[C@H]3CS[C@@H](c4cc(OC)c(OC)c(OC)c4)N3C2=S)cc1 12420809 DSOSBTOLLPMFES-QRWLVFNGSA-N 446.550 3.469 0 50 IGAA COc1cc(C(=O)NCCCn2cccn2)ccc1OC1CCN(C2CCCC2)CC1 12719120 FVXIORKLAGPAQJ-UHFFFAOYSA-N 426.561 3.498 0 50 IGAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCCc2ccc(Cl)cc2)c1=O 14952770 RPODZTRECWRXPH-UHFFFAOYSA-N 437.927 3.077 0 50 IGAA CC(=O)Nc1cc(CNCc2ccc(C(F)(F)F)cc2)cc(C(=O)N2CCN(C)CC2)c1 20271247 FTQKUKGDJKWYCQ-UHFFFAOYSA-N 448.489 3.341 0 50 IGAA CCc1nn2c(ncc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(F)cc1 40396858 HZJWJGIEJYZXEU-UHFFFAOYSA-N 428.427 3.192 0 50 IGAA CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)C(=O)C1 170600882 QDMGHSXPJMLWQO-LJQANCHMSA-N 449.979 3.343 0 50 IGAA CCCN(CC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H](OCC)C12CCCCC2 230089013 VSGCUWIAUWVTGD-NJDAHSKKSA-N 442.666 3.252 0 50 IGAA C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 242346934 ZKHDXGKPRWHBAW-ZWDAVXSWSA-N 428.554 3.197 0 50 IGAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@H]2CCCN21 245242240 PGRHCBYLMMDTGD-FYBXHKAZSA-N 429.520 3.297 0 50 IGAA Cn1cc(C(=O)NC[C@@H](O)c2ccccc2F)c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 253392914 KRABVNSIYPMNNW-DNVCBOLYSA-N 446.523 3.137 0 50 IGAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 257349656 PXQRJZNDFRAFTF-HZJZGVDTSA-N 448.556 3.003 0 50 IGAA COc1cc(CN2CC[C@@H](NC(=O)c3cc(C)nc4c3cnn4C(C)C)C2)cc(OC)c1 446389963 CYOHODZSEGRXDW-GOSISDBHSA-N 437.544 3.342 0 50 IGAA COCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)Cc1cc(C(C)(C)C)on1 1875254054 ALLZVPUWAAXDPL-UHFFFAOYSA-N 440.547 3.062 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccnc3ccccc23)CC1 2100556971 LQKHTZKWNZKTLF-UHFFFAOYSA-N 431.540 3.047 0 50 IGAA COc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 893735 MPLOFQLTHZFWSN-UHFFFAOYSA-N 437.930 3.469 0 50 IGAA Cc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)c(C)c1 1139664 SXDFCDIIGGUEJK-UHFFFAOYSA-N 435.977 3.072 0 50 IGAA O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccccc1I 2760577 APOBAVAYMZYLKX-UHFFFAOYSA-N 427.082 3.476 0 50 IGAA CCOC(=O)C1(Cc2ccccc2)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 11712484 PSTQFIOOTQWTRU-UHFFFAOYSA-N 445.537 3.035 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NCCc3nc4ccccc4[nH]3)CCC(=O)N2)c(F)c1 11789340 SJBBCUQYQJVEPZ-XMMPIXPASA-N 438.503 3.041 0 50 IGAA CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 12025225 DPPCKZDMLOPGIT-FQEVSTJZSA-N 429.471 3.335 0 50 IGAA COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)C(C)C 12035976 VZVTYQAJTOVHNS-OAQYLSRUSA-N 427.574 3.011 0 50 IGAA C[C@@H]1CN(CCC(=O)NCC2(N3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 12099245 RIHLYNIGOXVKLM-GOSISDBHSA-N 435.996 3.074 0 50 IGAA CCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nnc(-c2ccc(Cl)cc2)s1 13464795 OPUIFMOEKSUETI-HUUCEWRRSA-N 432.933 3.387 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 14889550 HSGKXJIZZHHFAS-RDPSFJRHSA-N 434.625 3.236 0 50 IGAA CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccc(Br)cc31)C2=O 19331099 JFLZXPPQJJBDKX-UHFFFAOYSA-N 432.362 3.053 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CCO)CC1 20119853 QWSRIFXBPOWUCS-FQEVSTJZSA-N 429.527 3.327 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 32517969 RUPZWSXIQSGDDU-FPOVZHCZSA-N 437.918 3.114 0 50 IGAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)cc2n1 55383251 UVFOFVOMZGDMQT-OAQYLSRUSA-N 432.572 3.081 0 50 IGAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1cccc3cccnc13)CCO2 299757258 JPVDAJPFHPYYPZ-HSZRJFAPSA-N 430.552 3.340 0 50 IGAA O=C1C[C@H](c2ccc(Br)cc2F)c2c(O)nc(N3CCSCC3)nc2N1 828323355 NVMHWPOIGUMAID-LLVKDONJSA-N 439.310 3.111 0 50 IGAA COc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c(O)n3ccccc3nc2=O)cc1 1776111252 IUJREBSWDRREBS-HXUWFJFHSA-N 429.476 3.247 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)CC1 1875365019 WUJGPVSLWFRGLR-SFTDATJTSA-N 441.572 3.320 0 50 IGAA C[C@H](NC(=O)CN1CCN(C)c2cc(F)ccc21)[C@H](O)c1ccc(Br)cc1 2325860768 TYFLVPHMJDELDC-RBZFPXEDSA-N 436.325 3.083 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 694710 DIVNJCISTBBBBN-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1Br 1068410 OOXRBLHDYHTXPB-CYBMUJFWSA-N 436.302 3.141 0 50 IGAA COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1Cl 1120574 XBYWOEFTPSHIFE-UHFFFAOYSA-N 434.695 3.455 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2056104 JMUJQMLEMUJSSL-MTGKDYNDSA-N 438.936 3.452 0 50 IGAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1C 2879755 BIMKNTXKLMNKPO-KRWDZBQOSA-N 431.558 3.235 0 50 IGAA NC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cccc(-n4cccn4)c2)C3)cc1 11976671 YRYYNOKHCUIUQN-JOCHJYFZSA-N 438.487 3.372 0 50 IGAA COc1cccc(C[C@@]2(CCC(=O)NCc3cnn(Cc4ccccc4)c3)CCC(=O)N2)c1 12036015 FGQCEWRMYVHBAO-AREMUKBSSA-N 446.551 3.228 0 50 IGAA COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(Cc2ccc(F)cc2)CC1 12430237 RIRHKFVJQQVZLM-UHFFFAOYSA-N 429.536 3.169 0 50 IGAA O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(C(F)(F)F)cc1 14953884 NMXZZGGYUNFSTO-MOPGFXCFSA-N 436.482 3.347 0 50 IGAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 138456821 NCHAUGQPROWNLY-DMAMZFHHSA-N 441.094 3.042 0 50 IGAA CCCON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254823732 YFBALXAIKASPIP-DIGUAEBXSA-N 427.111 3.004 0 50 IGAA CC(=O)O[C@@H]1CC[C@]2(C(=O)O)[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@H]3CC[C@@]2(O)C1 257350225 VRNKAZNHDYUPQK-DYPNWIQFSA-N 444.524 3.160 0 50 IGAA CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)c2C1 465371988 OEXHJNKTCNJCJJ-YQHYCNIYSA-N 448.567 3.494 0 50 IGAA O=C1NC(=O)N2CCN(C(=O)c3cc(-c4cccc5ccccc45)nc4ccccc34)C[C@@H]12 759629492 XZZUTMZYPWNNQQ-QHCPKHFHSA-N 436.471 3.431 0 50 IGAA O=C(NC[C@H](O)COc1ccc(F)c(F)c1)C(F)(F)c1ccccc1Br 1465853964 JYAXVUVMLNBVJL-JTQLQIEISA-N 436.199 3.375 0 50 IGAA Cn1cc(Cl)c(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)n1 1857706797 RCCWXBVRMRKSNG-GOSISDBHSA-N 444.963 3.312 0 50 IGAA O=C(NCc1ncoc1C(F)F)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)o1 2325863756 VSCXEWBYVKEFPN-UHFFFAOYSA-N 445.382 3.060 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1Cl 1058918 NOGLKZHRYHUXDF-GOSISDBHSA-N 448.972 3.334 0 50 IGAA CC(=O)Nc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 1141872 RCGBNMMACDIJED-UHFFFAOYSA-N 430.313 3.357 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N(C)Cc2ccco2)c1 12037843 SWCWOYBHXULQIT-UHFFFAOYSA-N 443.544 3.203 0 50 IGAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c1=O 12217678 CHINAEXYOHSXDJ-GOSISDBHSA-N 438.450 3.388 0 50 IGAA COC(=O)c1c(NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)sc2c1CCC2 13519910 STVBYSNBHPNHHX-UHFFFAOYSA-N 445.566 3.305 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc3ccccc3o1)CC2 14543280 ZKVNAXQFVVOONL-UHFFFAOYSA-N 430.464 3.448 0 50 IGAA CC(C)Cn1c(CN(C)CCN2CCCCC2)cnc1S(=O)(=O)Cc1ccccc1 20997988 OUEHIKOQPQBFAY-UHFFFAOYSA-N 432.634 3.431 0 50 IGAA O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 225491719 FOARHIFTTHPSGT-DEOSSOPVSA-N 449.576 3.051 0 50 IGAA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 253413187 UBUPZNXIQKMDAM-FQEVSTJZSA-N 444.959 3.421 0 50 IGAA Cn1c(=O)c(CNC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc2ccccc21 494391578 HOAFTPJGPYSIDL-HXUWFJFHSA-N 428.496 3.370 0 50 IGAA O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)C(F)(F)c1ccccc1Br 1465853965 JYAXVUVMLNBVJL-SNVBAGLBSA-N 436.199 3.375 0 50 IGAA COc1cccc([C@H](NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)c2cccnc2)c1 1875258180 WOFJANCZKCZGEN-PCCBWWKXSA-N 435.505 3.000 0 50 IGAA NC(=O)C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)n1)c1cccc(Cl)c1 1875262351 VYXIUSGHSICYBT-OAHLLOKOSA-N 448.708 3.030 0 50 IGAA C[C@@H]1Cc2ccc(F)c(Br)c2CN1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 2325863744 VMFQOGLXTIZKIM-FZKQIMNGSA-N 449.320 3.147 0 50 IGAA CCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 655053 XVFVSCJAFDVDQE-UHFFFAOYSA-N 428.510 3.498 0 50 IGAA COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 821357 VVKXUFDNKZAJIP-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCC(=O)c1ccc(Cl)cc1 990557 HKAFMIZWCIRFCH-UHFFFAOYSA-N 436.645 3.125 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 4064557 UUHWNGLEKGNGRU-HNNXBMFYSA-N 443.319 3.102 0 50 IGAA Cc1noc(C)c1S(=O)(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 8601521 ONYVCLGSGYJOLG-UHFFFAOYSA-N 437.934 3.237 0 50 IGAA CCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 12077920 KELICMDZYWPRMN-UHFFFAOYSA-N 444.557 3.427 0 50 IGAA COc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(F)cc3)n2C)c1 12383994 MVROQTGWQQGGPZ-ZDUSSCGKSA-N 443.504 3.185 0 50 IGAA O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)CC1=CCCCC1)CC2 14535360 YKXBPHSIQKAXEK-UHFFFAOYSA-N 439.585 3.455 0 50 IGAA Cc1nonc1CN[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 15002466 QGUXYCADNSISMA-KRWDZBQOSA-N 435.553 3.429 0 50 IGAA Cc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19774873 NGXUZKAMSMPIFH-QHCPKHFHSA-N 434.584 3.367 0 50 IGAA CCCCn1c(CN2CCCC[C@@H]2C(=O)OCC)cnc1S(=O)(=O)CC1CCC1 55134278 KMSHFYUJXYJKJF-LJQANCHMSA-N 425.595 3.175 0 50 IGAA COc1ccc(Br)cc1Cc1nnnn1CC(=O)NCCC1=CCCCC1 170617981 UIHZUNAUZCXUDP-UHFFFAOYSA-N 434.338 3.042 0 50 IGAA CC1(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)Cc2ccccc2C1 225575982 AIZCRKMBPFFRCG-UHFFFAOYSA-N 426.563 3.430 0 50 IGAA CC(C)(C)CC[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)C(N)=O 225604894 OIPQOPJQLZLPQU-INIZCTEOSA-N 445.633 3.494 0 50 IGAA Cc1cc(=O)c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cn1C1CC1 225807676 LSBVMBJSCPCHNF-ODLFYWEKSA-N 441.484 3.097 0 50 IGAA COc1ccc([C@H](NC(=O)C[C@@H]2N=C(O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 252499804 SEUSXNVPJSGKIM-PZJWPPBQSA-N 425.485 3.237 0 50 IGAA CC(C)NC(=O)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)c1ccccc1 252517589 MDHFYMUDWKBAHW-SELNLUPBSA-N 437.565 3.417 0 50 IGAA COc1cc(I)c(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)O)cc1OC 432105819 FZVGNWDOTWLHKI-DIFFPNOSSA-N 447.269 3.072 0 50 IGAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H](NC(=O)c4cc5ccccc5o4)C3)ccc2N1C 446621789 XPKIKBMPSFJIRB-CRAIPNDOSA-N 446.507 3.244 0 50 IGAA COc1ccc(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1Br 463632379 XYGKPTNQSXNBKC-IBGZPJMESA-N 437.309 3.287 0 50 IGAA Cc1onc(-c2ccc(F)cc2)c1C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 807705099 BJPZWRGZYUVEQS-FUHWJXTLSA-N 435.455 3.438 0 50 IGAA C[C@]1(c2cccc(CNC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O 1322308618 OSSOIANRXCXUOO-RUZDIDTESA-N 445.523 3.312 0 50 IGAA O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1)N1CCC[C@H]([C@H]2CCNC2)C1 1875348874 FPTMYAGYOSDEMB-SFTDATJTSA-N 427.570 3.090 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@H](C)C2)cc1C 2979730 DQRPVDMXWOBBCL-LJQANCHMSA-N 436.599 3.004 0 50 IGAA Cc1cc(C)n(CC(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)n1 12710495 FYMKJRKKOBIHMF-QFIPXVFZSA-N 434.544 3.322 0 50 IGAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C[C@H]1CC=CCC1)CC2 14740742 DRTYMPGXODFYOK-FQEVSTJZSA-N 441.572 3.297 0 50 IGAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(Cc3cccc(O)c3)CC2=O)cc1 14746007 PYCNMSZQZWLMTL-RUZDIDTESA-N 447.535 3.226 0 50 IGAA Cc1ccc(-n2cc(CN(CCO)[C@H]3CCS(=O)(=O)C3)c(-c3cccc(C)c3)n2)cc1 15073186 RQYUGAOROPLBPU-QHCPKHFHSA-N 439.581 3.138 0 50 IGAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 16650923 CJUDKHDEVKMLAR-UHFFFAOYSA-N 442.368 3.247 0 50 IGAA CCCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 19800567 FBAPJVGCXFRIIH-LTGZKZEYSA-N 433.533 3.219 0 50 IGAA COc1ccc2ccccc2c1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1 19835598 ANQPCPZBBKTMDT-UHFFFAOYSA-N 445.523 3.064 0 50 IGAA COCCNc1nc(CN2CCN(C(=O)c3cccs3)CC2)nc2ccc(Cl)cc12 20211699 RLFPAVFIRBFXCC-UHFFFAOYSA-N 445.976 3.361 0 50 IGAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C(C)C)CC2)CC(=O)N(Cc2ccccc2)C1=O 20782600 YJWWLBDNYDICNV-MHZLTWQESA-N 447.579 3.135 0 50 IGAA Cc1cccc(CN2CCC(N3CCC(C(=O)N4CCOc5ccccc5C4)CC3)CC2)n1 55245382 FTFCVNSYJSYLEZ-UHFFFAOYSA-N 448.611 3.488 0 50 IGAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 248171933 WYSDXIZJJGIYLG-MLCQCVOFSA-N 430.504 3.100 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@@H](C)[C@@H]4[C@]34C=C[C@H]2O4)cc1 257372945 IBWVDLQGQPPIOV-UMMVDIPLSA-N 432.476 3.027 0 50 IGAA biogenic CCCS(=O)(=O)N[C@H]1CCN(C(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)C1 1875262532 BLLOISNFXBNTQU-HNNXBMFYSA-N 445.463 3.213 0 50 IGAA O=C(N[C@H]1CCCc2cnccc21)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 2325876270 OXXAYEINFAOTNM-VXKWHMMOSA-N 439.512 3.434 0 50 IGAA Cc1ccc(S(=O)(=O)N(CCO)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 629641 QQHIBOVTVFQFMV-IBGZPJMESA-N 438.549 3.147 0 50 IGAA O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)N1CCCC1 806087 NKRKFNGUZWKFJK-UHFFFAOYSA-N 436.555 3.048 0 50 IGAA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3ncnn3c2=O)cc1C 1103683 AFHJFKNRSGQLFP-UDWIEESQSA-N 429.505 3.259 0 50 IGAA CC(=O)c1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 1142601 GQUHCKIMWIGRNI-UHFFFAOYSA-N 425.304 3.056 0 50 IGAA O=C(Nc1ccc(I)cc1C(=O)NCc1ccco1)c1cccnc1 2841625 IUEZYYKHWTYIKA-UHFFFAOYSA-N 447.232 3.462 0 50 IGAA Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 9287095 TTYFGDDICCFMAU-KRWDZBQOSA-N 434.471 3.392 0 50 IGAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cc1 12206435 ACAOXYBPJMLEDB-NRFANRHFSA-N 434.515 3.417 0 50 IGAA COc1ccc(C(=O)NCCc2nc(C)c(C)s2)cc1OC1CCN(C(C)=O)CC1 12571777 DWPNIUBHZMOGEY-UHFFFAOYSA-N 431.558 3.131 0 50 IGAA CN(Cc1ccccn1)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O 14880532 OFMGYIKHGZHFAT-QFIPXVFZSA-N 445.441 3.308 0 50 IGAA COc1ccccc1CN1C[C@H](C(=O)N(C)CCc2nc3ccc(F)cc3[nH]2)CCC1=O 15934822 OAXOMHURDGBAJR-QGZVFWFLSA-N 438.503 3.150 0 50 IGAA Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 65365383 AIIJFDGHCVNRQQ-INIZCTEOSA-N 432.484 3.164 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(C)=O)N4c5ccc(C)cc5C=C[C@H]4[C@@H]3C2=O)cc1 245254854 CPRDYABZGSIJBI-CWBXHPNXSA-N 444.487 3.151 0 50 IGAA Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 466538422 GWSQOMAFEBKAQG-SFTDATJTSA-N 441.503 3.137 0 50 IGAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)c1=O 751151419 MQTOXDGWQAZIRN-CYBMUJFWSA-N 434.323 3.237 0 50 IGAA C[C@@H](Oc1ccc(CN2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cc1)C(=O)O 1857696145 OXBMFQSFFHLVIS-CQSZACIVSA-N 431.510 3.362 0 50 IGAA COc1nc(N2CCN(C)CC2)ccc1NC(=O)Cc1sc(SC(F)F)nc1C 1875391835 WHKMQNIYBAAZQF-UHFFFAOYSA-N 443.545 3.103 0 50 IGAA COc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1OC 880059 RTJAYVUYPIXNIA-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O 1139195 RLYAPPHXVXVIID-UHFFFAOYSA-N 437.949 3.191 0 50 IGAA O=C(Nc1sc(I)cc1I)C(F)(F)F 4099337 HKGVHAGRLCNGSF-UHFFFAOYSA-N 446.957 3.458 0 50 IGAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 6573924 NQNCVKXSKPJQCX-JKSUJKDBSA-N 447.557 3.017 0 50 IGAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc(Br)ccc1OC 9635635 VBNIFRGRKCIYJI-UHFFFAOYSA-N 439.287 3.291 0 50 IGAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1snnc1C)CC2 14751524 IYZZSGFWXLDYGO-UHFFFAOYSA-N 439.541 3.051 0 50 IGAA O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)Cc1c(F)cccc1Cl)CC2 14969198 IASRSOVSRDDPFI-GOSISDBHSA-N 429.923 3.404 0 50 IGAA O=C(CCc1nc(-c2ccsc2)no1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 170613554 KFTCMZZYJZRMTR-LJQANCHMSA-N 426.542 3.138 0 50 IGAA CSCC(=O)N1C[C@H]2CN(c3ccnc4ccc(Cl)cc34)C[C@]2(CCC(=O)O)C1 1800411096 FGZINKPLWKTTIF-SPLOXXLWSA-N 433.961 3.381 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 882562 BKLPHGFCXNRVQX-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N(c1ccccc1)S(C)(=O)=O 1119205 CTAZVJLPXHCTAV-INIZCTEOSA-N 441.509 3.003 0 50 IGAA O=C(NC1CCCC1)c1cn(C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nn1 12201343 SDRWWUXZXDSHTK-UHFFFAOYSA-N 433.915 3.149 0 50 IGAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCCN1CCCCC1=O 12586097 AEANJQXDDKZZRW-UHFFFAOYSA-N 447.595 3.305 0 50 IGAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN([C@H](C)CSC)CC2 20501000 DWVDFWHOTDAUTB-GOSISDBHSA-N 449.617 3.082 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCCC1 65365206 HDCNGUSMZHZJPI-UHFFFAOYSA-N 447.582 3.147 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 253398324 CBHAAIFAQOMMAF-GHDARCQNSA-N 442.585 3.396 0 50 IGAA biogenic CCCCn1c(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)nc2c1c(=O)nc(O)n2Cc1ccccc1 253532719 TVHAWHHJVLOHJE-VNYTWHDVSA-N 433.556 3.377 0 50 IGAA Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)CC2)c1 263616077 GVVMHUJYTNNWCP-NRFANRHFSA-N 437.931 3.474 0 50 IGAA O=C1CN(C(=O)[C@H]2CCCc3c2[nH]c2ccccc32)CCN1Cc1ccc2c(c1)OCO2 952986909 GWOFTUQZUDJZJE-IBGZPJMESA-N 431.492 3.188 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOc2cc(C)ccc2C)C1 1857686982 LVXMKCZMPYNIRS-MVERNJQCSA-N 443.632 3.011 0 50 IGAA O=C(NC[C@H](c1cccc(O)c1)N1CCCC1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1875260536 VRLZBIXIFFWFSY-ILBGXUMGSA-N 441.547 3.305 0 50 IGAA Cc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)Cc3n[nH]c(N)n3)CCCCC2)cc1 1107131 LKASVYWEHBSNIC-UHFFFAOYSA-N 436.516 3.201 0 50 IGAA COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc(OC)c1OC 1130112 RCLDYBHNUNRDTF-LJQANCHMSA-N 428.510 3.249 0 50 IGAA Cc1ccccc1OCC(=O)NCC(=O)OCc1cccc(C(=O)Oc2ccccc2)c1 2863089 CIDDOGXOPIUTNP-UHFFFAOYSA-N 433.460 3.453 0 50 IGAA Nc1nonc1-n1nnc(CN2CCCc3ccccc32)c1CN1CCCc2ccccc21 3200176 IQEJNZQOEDGNHU-UHFFFAOYSA-N 442.527 3.138 0 50 IGAA CCC[C@]1(C2CCN(C(=O)Cc3ccccc3C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11910619 LEJBZVHQXBKIRJ-PXDATVDWSA-N 441.572 3.046 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N(C)CCc3cnn(C)c3)CCC(=O)N2)c2ccccc12 12097129 BSTZUZIMSQJXPA-AREMUKBSSA-N 448.567 3.255 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CCCCN2C)CC1 12228047 QBVWUFIFXMSEJN-LJQANCHMSA-N 440.548 3.184 0 50 IGAA CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@@H](COC)C3)c2n1Cc1cccnc1 12242166 ILFJUDXMUXBDRZ-LJQANCHMSA-N 449.555 3.499 0 50 IGAA CC(C)(C)OC(=O)N1CCN([C@@H](Cc2ccccc2)C(=O)O)C(=O)[C@@H]1Cc1ccccc1 14632704 PMBMICXKUORYBM-SFTDATJTSA-N 438.524 3.373 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1 15072202 HFQNHOSYNMKTLI-HNNXBMFYSA-N 448.951 3.352 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1 19171785 JBEVTSXUNAAXKV-HJOGWXRNSA-N 427.504 3.311 0 50 IGAA COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1OC 23373043 IEUALMVDNSCIPW-NRFANRHFSA-N 425.573 3.499 0 50 IGAA O=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccccc1 56946340 QNVNPRSAXBXPKI-NRFANRHFSA-N 429.517 3.261 0 50 IGAA CC(C)[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)C(=O)N1CCc2sccc2C1 750580473 ZMDTUSXHLXOZII-VLIAUNLRSA-N 441.553 3.291 0 50 IGAA CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)c1=O 751151422 MQTOXDGWQAZIRN-ZDUSSCGKSA-N 434.323 3.237 0 50 IGAA O=C(COc1ccc(Cl)cc1Cl)OCCCNC1=NS(=O)(=O)c2ccccc21 2986193 GCWGUBBILQXDSP-UHFFFAOYSA-N 443.308 3.044 0 50 IGAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 9010424 HWRGKIIREFZPTF-CQSZACIVSA-N 428.341 3.106 0 50 IGAA CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)C1CCOCC1 11664850 RXZXNJUCMRVQIV-UHFFFAOYSA-N 439.604 3.036 0 50 IGAA O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCC(C(=O)N2CCCCC2)CC1 12058365 AFRATRAUMYPYDX-UHFFFAOYSA-N 431.540 3.344 0 50 IGAA COc1ccccc1CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O 12219035 DDLMEEWSSYNDQC-UHFFFAOYSA-N 425.529 3.069 0 50 IGAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C(C)C 14958704 BSLZGTMLFJSMJN-QHCPKHFHSA-N 439.556 3.053 0 50 IGAA COc1ccccc1CC(=O)N1CCN(c2cccc3c2C(=O)N(C2CCCC2)C3=O)CC1 14980925 UYGWWRPTPKBENV-UHFFFAOYSA-N 447.535 3.125 0 50 IGAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccc(C)cc3)[C@@H]42)cc1 245257359 YQALNHVAJLRUTL-WRYYQEFWSA-N 430.460 3.095 0 50 IGAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)n2)c1 428363210 PXOWLYAKOCAFHK-HNNXBMFYSA-N 443.511 3.102 0 50 IGAA CSCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1c(O)nc2ccccc2c1=O 886024174 UPJAHDKGGAFCHJ-ACJLOTCBSA-N 437.525 3.150 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(OC)c(C)c1)C2 1857692920 AAWPRXBCTYMXSS-TZBSWOFLSA-N 430.589 3.260 0 50 IGAA CCc1ccc2c(c1)[C@H](CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N2 1875252938 JNYZQTPXTOQQAJ-HDMLDWTJSA-N 435.524 3.018 0 50 IGAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)CC1 1875261474 ALCVMQZDEXNCCH-GBXCKJPGSA-N 437.565 3.351 0 50 IGAA CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(I)c1 687838 RAOOJAUTCYDWHS-UHFFFAOYSA-N 433.267 3.499 0 50 IGAA O=C(Nc1ccc2c(c1)OCCO2)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 942345 LHFBRNQJNLPNHZ-FQEVSTJZSA-N 428.444 3.304 0 50 IGAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1Br 1078551 OEHFHGDBPOCWGK-UHFFFAOYSA-N 427.320 3.397 0 50 IGAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 11909391 ROJWKIUUNQQSMM-UHFFFAOYSA-N 441.535 3.455 0 50 IGAA COCCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 13402690 DSXUGXGBVUXNEO-UHFFFAOYSA-N 430.448 3.053 0 50 IGAA COc1ccc(CC(=O)N2CCOc3ccc([C@@H](O)c4ccccn4)cc3C2)cc1OC 14886809 BPUBRUKNQMJING-RUZDIDTESA-N 434.492 3.144 0 50 IGAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(Oc2ccccc2Cl)CC1 15067248 YHHLIXSJNCKUPD-NRFANRHFSA-N 441.959 3.101 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)c2cccc(F)c2)C1 15070645 HMZPLWPTVOGBMH-JOCHJYFZSA-N 435.517 3.411 0 50 IGAA Cc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Br)cc2)cc1 16448092 IWYDKCMEZUDWQO-MRXNPFEDSA-N 442.356 3.264 0 50 IGAA COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc2[nH]ccc12 241171022 KDQYFIAQBCECRC-UHFFFAOYSA-N 429.498 3.236 0 50 IGAA O=C([C@@H]1CC12CCN(Cc1ccc(CO)o1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 299764933 XBRIDNWXBIUPKK-OGPASDKVSA-N 449.595 3.232 0 50 IGAA Cc1cccc(N(CC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)S(C)(=O)=O)c1 952985151 PJSXCHUPYVLKSG-NRFANRHFSA-N 432.542 3.348 0 50 IGAA Cc1cc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)ccc1Br 1061850 VTNJFLJDEOGORK-UHFFFAOYSA-N 433.274 3.440 0 50 IGAA COc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c(OC)c1OC 4173253 VUABBSXKLYRHFN-UHFFFAOYSA-N 425.573 3.499 0 50 IGAA CC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)C1 12191580 ONUBPOCEYWGECS-BXKMTCNYSA-N 444.959 3.497 0 50 IGAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2(c3ccccc3)CCCC2)cc1 12197287 UZGITUKQIHRPQX-XMMPIXPASA-N 449.595 3.404 0 50 IGAA CC(C)N(Cc1nccn1C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 12299811 YGHOKJYYLAVPAD-UHFFFAOYSA-N 429.590 3.064 0 50 IGAA Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 16285703 GHXUSEUXTIFOHS-UHFFFAOYSA-N 438.549 3.211 0 50 IGAA CC(C)N1CCC(N2CCN(CC3=Cc4cc(Cl)ccc4OC3)C[C@H]2CCO)CC1 104333664 TYYHANHSTFVYCK-HSZRJFAPSA-N 434.024 3.357 0 50 IGAA Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@H]3C2=O)c1 245246152 JMSSBGGAUVLRLI-LUCIHVKJSA-N 435.911 3.388 0 50 IGAA O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccccc1CN1CCC(O)CC1 478866400 LGYZOKCEGUQNJY-UHFFFAOYSA-N 445.563 3.233 0 50 IGAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)c2c1 804555028 FFZIZDHPTYHUOF-CRICUBBOSA-N 443.507 3.198 0 50 IGAA Cc1onc(-c2ccc(F)cc2)c1C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 807705103 BJPZWRGZYUVEQS-WMZOPIPTSA-N 435.455 3.438 0 50 IGAA Cc1nc(-c2ccn(C)n2)sc1CC(=O)N(C)C[C@H](O)c1cccc(Br)c1 1468986566 DKCMYYKPFBMVOM-INIZCTEOSA-N 449.374 3.349 0 50 IGAA Cc1ccncc1-c1cn([C@@H]2CCCN(C(=O)c3cccc(-n4ccnc4O)c3)C2)nn1 1875360450 HYACPYWHSIOXEV-LJQANCHMSA-N 429.484 3.017 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 1875362993 JQGLECBTHFORRU-HXUWFJFHSA-N 445.535 3.371 0 50 IGAA Cc1cccn2c(NC(=O)NCCNc3ncnc4c3cnn4C)c(-c3ccccc3)nc12 2325729108 DLPIXFUSFPZILM-UHFFFAOYSA-N 441.499 3.220 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc(Br)c1 2981768 VMDAQDIQPJQHFK-UHFFFAOYSA-N 443.388 3.124 0 50 IGAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 8682950 VOSPEVBXYRJKAK-UHFFFAOYSA-N 445.397 3.160 0 50 IGAA aggregator Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 12282694 MQLIZBPDCSHQQD-MRXNPFEDSA-N 436.434 3.298 0 50 IGAA CCOc1cc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)ccc1OC 12454669 MAQZXQHQYNISKS-IBGZPJMESA-N 427.549 3.149 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCC(c1ccccc1)c1ccccc1 14954529 WNFSOGPPWJHPEU-QHCPKHFHSA-N 433.577 3.387 0 50 IGAA O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Br)cc1 19808656 LQWGQUYOADIHDO-SFHVURJKSA-N 432.293 3.042 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2CC)C2=C1C(=O)OC2 169758117 IMTMJUFCSSIXNF-QFIPXVFZSA-N 435.480 3.164 0 50 IGAA O=C(NCCC(=O)N1CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247830108 KPRKIQUSQOOCLR-AHRSYUTCSA-N 431.964 3.242 0 50 IGAA Cc1csc(C[C@H](C)n2cc(C3(F)CN(C(=O)[C@@H]4CC5(CCCC5)CO4)C3)nn2)n1 1875338304 SNDNLIKZLPFXOY-HOTGVXAUSA-N 433.553 3.203 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)[C@H](C)c2cccc(Cl)c2)CC1=O 2325820085 ZVONBVYEXZETDA-RKVPGOIHSA-N 434.945 3.457 0 50 IGAA Cc1csc(-c2cccc(S(=O)(=O)NC(=O)c3cn(C4CCCCC4)nn3)c2)n1 2325853457 QBYXUXMQGSKWSW-UHFFFAOYSA-N 431.543 3.334 0 50 IGAA CN(C(=O)Cn1cc(Cl)c(O)nc1=O)c1cc(Br)cc(C(F)(F)F)c1 2325876414 UWQCIRDAGIRQRN-UHFFFAOYSA-N 440.603 3.047 0 50 IGAA COc1ccc2c(CC(=O)N=[S@@](C)(=O)C3CCN(c4cnccn4)CC3)coc2c1C 2332238860 OHPQIJLXDAJTFW-HKBQPEDESA-N 442.541 3.376 0 50 IGAA CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(Br)cc1 2879688 CIFGOEQUMSKIHE-UHFFFAOYSA-N 429.380 3.466 0 50 IGAA COCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 2992100 AUCUXXPBAFHPRY-UHFFFAOYSA-N 445.368 3.255 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N(C)CCc3cnn(C)c3)CCC(=O)N2)c2ccccc12 12097128 BSTZUZIMSQJXPA-SANMLTNESA-N 448.567 3.255 0 50 IGAA COC[C@H]1CCCCN1C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12200064 WEXMHVIRYOPVHE-GOSISDBHSA-N 430.545 3.116 0 50 IGAA CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1)S(C)(=O)=O 65362545 RQUVCBYKCDDQCD-UHFFFAOYSA-N 435.933 3.224 0 50 IGAA CS(=O)(=O)c1cccnc1NCC1(c2cccc(Br)c2)CCOCC1 302765294 YMLUIXNZZCMOCZ-UHFFFAOYSA-N 425.348 3.408 0 50 IGAA Cc1nc2cc(NC(=O)[C@H](C)n3cnc4ccccc4c3=O)ccc2n1CCCN(C)C 334161505 CXNOABYZXLUJCY-INIZCTEOSA-N 432.528 3.206 0 50 IGAA C[C@@]1(c2cccc(C(=O)OCC(=O)Nc3ccccc3-c3ccccc3)c2)NC(=O)NC1=O 770507264 STBYGQDGFBCQPK-VWLOTQADSA-N 443.459 3.204 0 50 IGAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 952969996 PNXUYWSJDHWKSO-ZDUSSCGKSA-N 428.395 3.323 0 50 IGAA CC(C)n1ncc2c1[C@H](NC(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 1338001783 QJYWLQRIVCSUOU-OAQYLSRUSA-N 444.601 3.375 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1F 1704307980 OEFLDZGSBVWJDV-CQSZACIVSA-N 428.468 3.002 0 50 IGAA COc1cc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c2ccccc2n1 1857730200 LRKNHZBXKMUFBZ-BKSPAHHJSA-N 429.476 3.158 0 50 IGAA O=C(NCc1cc(-c2ccccc2)n[nH]1)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 1875352778 DMOYASYNKAPYPA-HXUWFJFHSA-N 430.468 3.410 0 50 IGAA COC(=O)c1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(=O)OC)c1C 2739505 UVNNHDSXWFWKPA-UHFFFAOYSA-N 445.419 3.361 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(C[C@@H]1CC=CCC1)CC2 12099374 IFIJDAUNYOLVQH-HXUWFJFHSA-N 447.579 3.270 0 50 IGAA CCn1cc(CNCc2ccc(OC)c(OC[C@H](O)CN(C)Cc3ccccc3)c2)cn1 12706736 VYTYIPLEBOHWLF-HSZRJFAPSA-N 438.572 3.073 0 50 IGAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2ccc3nonc3c2)cc1 14963254 ZKUWFFLABLZCLH-QFIPXVFZSA-N 432.524 3.384 0 50 IGAA Cc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ncccn3)CC2)cc1 15017766 XHSKEEXDYFHEEU-ZCYQVOJMSA-N 441.535 3.373 0 50 IGAA CCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 16651341 GBRVTKJQXGXVFY-UHFFFAOYSA-N 443.569 3.395 0 50 IGAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC 19853467 HQIKFNXTNYAOQI-UHFFFAOYSA-N 426.538 3.364 0 50 IGAA O=C(Cc1ccccc1)NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20418817 GIVFLDVGSJVCRA-UHFFFAOYSA-N 427.548 3.279 0 50 IGAA CCOCc1cnc(C)nc1NC(=O)c1nnn(-c2ccccc2OC)c1-c1ccncc1 206647495 RGMYULNKXRDYQY-UHFFFAOYSA-N 445.483 3.225 0 50 IGAA CCc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239339253 LXAMYYDSLADNDR-VBOIJHMZSA-N 443.341 3.392 0 50 IGAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(Cc4ccc5ccccc5c4)nn23)C1 951726901 PIQRXAWAFWLYDS-QGZVFWFLSA-N 427.555 3.069 0 50 IGAA O=C(CCSCCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 2746147 IXROXCHXQQLNHK-UHFFFAOYSA-N 444.509 3.320 0 50 IGAA CCOc1ccc(N(CC(=O)NCCCOC)S(=O)(=O)c2ccc(Cl)cc2)cc1 2936900 BJLDKIGLKKEDMG-UHFFFAOYSA-N 440.949 3.087 0 50 IGAA O=C(NCCOc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 2999765 PZBAWZGZCHRIAK-NRFANRHFSA-N 442.512 3.327 0 50 IGAA CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2c1=O 8584638 PKESBJRXWVZEPF-UHFFFAOYSA-N 443.525 3.258 0 50 IGAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 12464040 GHAABZLKQDRVAK-LJQANCHMSA-N 437.437 3.194 0 50 IGAA C[C@H](NC(=O)c1nn(CCO)c2c1CN(CCCc1ccccc1)CC2)c1ccccc1 14535250 IUFHIZHYWXSSBV-FQEVSTJZSA-N 432.568 3.357 0 50 IGAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)c1 14535310 QCRCVUDFCVCTGI-OAQYLSRUSA-N 430.552 3.274 0 50 IGAA CCCc1c(C(=O)NCC[C@@H]2CCCN2C)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 14878826 MTEWGVSHQBRWJA-IBGZPJMESA-N 439.556 3.100 0 50 IGAA CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 19841914 DNMXICDXTMKNSV-HXUWFJFHSA-N 429.471 3.335 0 50 IGAA CCCc1c(C(=O)NC[C@@H]2CCCN2CC)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 20272483 GPWSONQASXZHAE-IBGZPJMESA-N 439.556 3.100 0 50 IGAA O=C(C1CCCCC1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 20907737 SWSXJIRVWBQFDP-XMMPIXPASA-N 430.589 3.486 0 50 IGAA O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC(n2ccnc2)CC1 110279184 MZNWNAGCIOAJNY-UHFFFAOYSA-N 436.537 3.112 0 50 IGAA COc1cc(C[C@]2(CCC(=O)NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CCC(=O)N2)ccc1F 215910071 NJNORIOEKFEVFN-MWVQDSLVSA-N 444.547 3.006 0 50 IGAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2[nH]c(C)cc2C)CCO3)CC1 299767377 GJFATAQKQPNWOC-UHFFFAOYSA-N 425.529 3.051 0 50 IGAA CCOc1ccc2nc(N3CCC(N4CCC[C@H](c5nncn5C)C4)CC3)nc(C)c2c1 299787171 SAQOBONYLMBLSL-SFHVURJKSA-N 435.576 3.314 0 50 IGAA COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 788354147 MXRILNSLZJXRDG-GXTWGEPZSA-N 447.406 3.470 0 50 IGAA Cc1cccc(NC(=O)CN2CCN(C(=O)Nc3nc(-c4ccccc4)no3)CC2)c1C 1476373578 XGVORGODGUMHPP-UHFFFAOYSA-N 434.500 3.142 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2c(C)cc(C)cc2C)C1 1857689681 JXGSLIZMUPYAIE-ONBPZOJHSA-N 441.660 3.483 0 50 IGAA CCOC(CNC(=O)c1ccc2c(c1)[C@H](C)CO2)CNC(=O)c1ccc2c(c1)[C@H](C)CO2 2325716902 WVXVCIZTPLVHQE-HZPDHXFCSA-N 438.524 3.243 0 50 IGAA CCCCNC(=O)[C@@H](c1cnc(N(C)C)nc1)N(Cc1ccncc1)C(=O)c1ccccc1 2325826599 GPFQLMCXNNEREY-JOCHJYFZSA-N 446.555 3.238 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 631763 KANDDLHGGQZHTR-MJSCBBHESA-N 430.938 3.123 0 50 IGAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)=O)cc3)cc2)s1 10381851 UQTBKLIBHCFGAP-UHFFFAOYSA-N 430.511 3.356 0 50 IGAA COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(C/C=C/C(C)C)CC2)C1=O 11788437 HEBIYQLIEGGILP-NPJCXYKHSA-N 443.588 3.099 0 50 IGAA C/C=C(\C)C(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 11912549 PRJSADOBTAGPFU-HCJXQIAPSA-N 438.553 3.295 0 50 IGAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 12193200 GPZSWPHXEBNEGI-LLVKDONJSA-N 443.472 3.246 0 50 IGAA O=C(NCCCn1nnc2ccccc21)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12613256 RQIITUSUFIRPJT-UHFFFAOYSA-N 447.539 3.031 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2 14538567 LOHYMRQZJZSDRK-UHFFFAOYSA-N 429.480 3.183 0 50 IGAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1ccsc1)C2 14749558 NTBUTXOQRLJYGS-UHFFFAOYSA-N 435.597 3.485 0 50 IGAA CCN(CC)C(=O)c1cn(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)nn1 14888449 BSPXFDJMCOGEMB-UHFFFAOYSA-N 437.466 3.185 0 50 IGAA Cn1c(CCNC(=O)Cc2cccc(C(F)(F)F)c2)nnc1SCc1ccccn1 14998791 YOCPCIKXIIIFAO-UHFFFAOYSA-N 435.475 3.423 0 50 IGAA O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCC(c2ccncc2)CC1 15076688 CHKLRVNEUXGPSG-RUZDIDTESA-N 442.563 3.332 0 50 IGAA Cc1ccc(N(C[C@@H](O)CN2CCOCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 19791197 IPFYZWASKJIRKT-QHCPKHFHSA-N 440.565 3.037 0 50 IGAA COC(=O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 64859222 DVBATKLFQCCUII-LUHVGVJNSA-N 438.948 3.283 0 50 IGAA in-vitro O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 170591877 WOZUDADEUBLSJO-BWKNWUBXSA-N 439.577 3.433 0 50 IGAA CC[C@@H](C)[C@@H](NC(=O)c1csc(CN)n1)C(=O)N1CCC(Cc2ccccc2)CC1 237051506 ADQCFTFXOXSXEC-IIBYNOLFSA-N 428.602 3.228 0 50 IGAA C[C@H](NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cnn(C2CC2)c1 1875301500 LRSMUOYDNRNJAP-SJCJKPOMSA-N 437.422 3.282 0 50 IGAA COc1ccc(-c2cc(C(=O)NS(C)(=O)=O)c3c(C)nn(-c4ccccc4)c3n2)cc1 1875390739 FOHSZVBFNCHSDM-UHFFFAOYSA-N 436.493 3.094 0 50 IGAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ccc(N(C)Cc2cnn(C)c2)nn1 2325825501 RWRNYOUOSJXMTM-OAHLLOKOSA-N 439.589 3.090 0 50 IGAA Cn1c(=O)c2c(nc(Oc3ccccc3F)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 1429022 HODXAPNMEBMYPT-UHFFFAOYSA-N 448.376 3.432 0 50 IGAA O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1ccc(Cl)s1 2868638 JIMSHFDHLGFORG-CQSZACIVSA-N 433.654 3.419 0 50 IGAA Cc1ccc(-n2cc(CN3CCC(n4nccc4NC(=O)[C@@H]4CCOC4)CC3)cn2)cc1 12019866 KBEUQDUOPAQMTG-HXUWFJFHSA-N 434.544 3.189 0 50 IGAA COc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 12164867 DWIDYGTZYITXIQ-LJQANCHMSA-N 433.556 3.155 0 50 IGAA O=C(NCc1ccccc1Cl)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12244398 SBJIIMOBFXIKCX-UHFFFAOYSA-N 435.911 3.372 0 50 IGAA CCOC(=O)N1CCC(N(CCOC)CC2CCN(Cc3ccccc3OC)CC2)CC1 15079218 ROGZXYGMNXVBJJ-UHFFFAOYSA-N 447.620 3.477 0 50 IGAA O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1NCCCN1CCOCC1 20418556 XSNAUBBCYPQEAQ-UHFFFAOYSA-N 427.526 3.309 0 50 IGAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)n1 65364322 MATZHZFXCWCOMY-UHFFFAOYSA-N 434.928 3.242 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)c2c(O)c3ccccc3n(CC(C)C)c2=O)n1 100564261 UPSLVUGVWKDTJR-UHFFFAOYSA-N 429.498 3.178 0 50 IGAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(OC)c3OC)C2)c1 225849214 FMXFNGSEXQMYIK-GOSISDBHSA-N 442.468 3.264 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]1[C@H]1CCCN12 249695199 QJSXYMDBXXURBE-QILISPFLSA-N 429.520 3.149 0 50 IGAA CO[C@@H](C(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1)c1ccc(O)cc1 426303966 ANPWNCBGWJDCQK-HXUWFJFHSA-N 428.466 3.158 0 50 IGAA NS(=O)(=O)N1CCc2ccc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc21 467102544 QVNDZUMTQYUUHG-UHFFFAOYSA-N 435.549 3.293 0 50 IGAA C[C@@H]1CN(Cc2ccccc2CNS(=O)(=O)c2c[nH]c3cccc(F)c23)C[C@@H](C)O1 477527627 VOFSLUKNXRSDPN-HZPDHXFCSA-N 431.533 3.395 0 50 IGAA C[C@@H]1Oc2ccc(NC(=O)c3cccc(OCC(=O)N4CCCCC4)c3)cc2N(C)C1=O 1506400027 SMWCZOIQIIWKEH-INIZCTEOSA-N 437.496 3.074 0 50 IGAA Cc1sc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1S(N)(=O)=O 1875256775 MFCGHXYIZAVNKK-GOSISDBHSA-N 430.551 3.080 0 50 IGAA O=C1C[C@@H](c2ccc3ccccc3c2)NC(=O)N1CCCN1CCN(c2ccncc2)CC1 1875320042 DNMPPIIFAWYCRO-DEOSSOPVSA-N 443.551 3.430 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)CC1 1875365018 WUJGPVSLWFRGLR-RTWAWAEBSA-N 441.572 3.320 0 50 IGAA CNC(=O)CN(C[C@H](c1ccccc1)N1CCC(C)CC1)C(=O)c1nc[nH]c1C(C)(C)C 1875388074 LVGAYWKBJADFFA-HXUWFJFHSA-N 439.604 3.369 0 50 IGAA Cc1ccc(C(C)(C)C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3cc(C)nn3C)CC2)cc1 2332238642 GGWFARGASSQEAL-WJOKGBTCSA-N 444.601 3.244 0 50 IGAA CCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 652648 HRQFTNUIQKJIEN-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(I)c2)NC(=O)N1 812826 GDKHYANCDJODHO-OAHLLOKOSA-N 426.254 3.405 0 50 IGAA Cc1cccc(C2=N/C(=C/c3cc(Br)ccc3OS(C)(=O)=O)C(=O)O2)c1 2823860 UWNSYLFKACNVGS-XNTDXEJSSA-N 436.283 3.440 0 50 IGAA CCN(CC)C(=O)c1sc(NC(=S)N[C@H](C)[C@@H]2CCCO2)c(C(=O)OC)c1C 2850815 CFLYHGGFLAMILV-OLZOCXBDSA-N 427.592 3.179 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)o3)C2=O)cc1C 6858874 ZRVYLACUOUYBBE-LDADJPATSA-N 441.509 3.408 0 50 IGAA CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCCCCCC3)c2n1C 11789548 LGPXFHJKYFEOIG-UHFFFAOYSA-N 449.621 3.396 0 50 IGAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)cc1 12027197 ZVYUQCQBUSRIET-UHFFFAOYSA-N 428.540 3.099 0 50 IGAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 12058295 GRJPCPWDQJHBJU-HSZRJFAPSA-N 448.611 3.480 0 50 IGAA Cc1nonc1C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 12093836 NWBGOPGAMXCNJS-UHFFFAOYSA-N 432.908 3.387 0 50 IGAA CCOc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1CO 12750018 KAWRMPVSUDTJLJ-HXUWFJFHSA-N 431.621 3.122 0 50 IGAA CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1csc(C)n1)CC2 14732461 MHOJNXUXBHKIMU-UHFFFAOYSA-N 440.525 3.080 0 50 IGAA COc1cc(C(=O)NCc2nnc(SC)n2Cc2ccccc2)cc(OC)c1OC 14953707 KUTODGQMSWIZEK-UHFFFAOYSA-N 428.514 3.004 0 50 IGAA CC(=O)NCC(=O)N1CCC(c2nc(-c3ccncc3)ncc2-c2cccc(C)c2)CC1 14979395 HMNQBELSJURYGV-UHFFFAOYSA-N 429.524 3.356 0 50 IGAA O=C(c1nc2ccccn2c1CN1CCN([C@@H]2CCc3ccccc3C2)CC1)N1CCCC1 19595133 RJDBSPUPBVHURU-HSZRJFAPSA-N 443.595 3.245 0 50 IGAA O=C(c1nc2ccc(Cl)cn2c1CN1CCN2CCC[C@@H]2C1)N1CCc2ccccc2C1 20454148 PRURBYAPDBUODO-OAQYLSRUSA-N 449.986 3.466 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(C)c2C)C2=C1C(=O)OC2 169758176 GIQLOJGVGYKJNE-JOCHJYFZSA-N 435.480 3.218 0 50 IGAA COc1cc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc(OC)c1OC 169763738 VPJHCNOGGIJMAQ-UHFFFAOYSA-N 438.484 3.325 0 50 IGAA O=C(CN1CCCC1=O)Nc1cccc(OC(=O)c2ccc(CN3CCCCC3)cc2)c1 225511073 POJDPPMWHUCLOH-UHFFFAOYSA-N 435.524 3.453 0 50 IGAA O=C(Cc1ccc(I)cc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 328591528 VYOIHUMBYSIMOI-IAGOWNOFSA-N 425.241 3.307 0 50 IGAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NC2CCN(Cc3cccs3)CC2)c1 827647241 LPBDPZZPYWKATC-MRXNPFEDSA-N 442.614 3.294 0 50 IGAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCCCc2nnc3ccccn23)CC1 1775942497 UQTLOPWXXJXZPN-WGSAOQKQSA-N 431.540 3.241 0 50 IGAA O=S(=O)(N[C@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 1775988509 PEMVLNFZRIYQFO-CABCVRRESA-N 426.395 3.319 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)nn1-c1ccccc1Br 1775988729 DFDTYOCQHZYDHC-YRNRMSPPSA-N 447.377 3.302 0 50 IGAA Cc1cc(C(=O)N2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)nn1C 1857702224 FNWBLVGDBGQIER-NRFANRHFSA-N 438.572 3.357 0 50 IGAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H](n2cc(-c3cncs3)nn2)CC1 1875326823 NXGVFAPMTPTZBM-MRXNPFEDSA-N 425.514 3.286 0 50 IGAA COc1cccc(/C=c2\sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)c1OC 635314 TXBDKYVNVRDWSB-UNOMPAQXSA-N 437.521 3.418 0 50 IGAA O=c1nc2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2nc1Cc1ccccc1 2833029 GXHBGACHAWJMHJ-JWGURIENSA-N 439.496 3.442 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1cn3ccccc3n1)C2 11785015 MEPZZSWXLPVCEB-UHFFFAOYSA-N 443.482 3.305 0 50 IGAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](c2ccco2)C(F)(F)F)c1=O 12452828 YKTQSOPIFFEORT-KRWDZBQOSA-N 425.407 3.340 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)cc(F)c2)C4)cn1 14994388 FHGVKHLQYUEGRQ-KRWDZBQOSA-N 441.507 3.165 0 50 IGAA O=C1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CN1CCc1ccccc1 23338996 QXDFCANJMZWUOY-FRHHVXPKSA-N 431.580 3.325 0 50 IGAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCc2ccccc2)cc1 101479924 HGGGEFFCALPSTQ-CNNODRBYSA-N 428.554 3.336 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)cc1OC 101728329 FOJIMBWGLBGELE-ZWOKBUDYSA-N 444.553 3.204 0 50 IGAA COc1cc2nc(N3CCN(Cc4c(F)cccc4Cl)CC3)nc(N)c2cc1OC 110677892 GIFSFXOHOYGCCY-UHFFFAOYSA-N 431.899 3.344 0 50 IGAA C[C@H]1C[C@H](c2cccnc2)N(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 170594682 BHWNNHXXQJCHSI-PGRDOPGGSA-N 427.570 3.408 0 50 IGAA CCOC(=O)[C@@](C)(CNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C)c1ccccc1 170605690 MYYMKIFHQALILQ-OFVILXPXSA-N 440.540 3.087 0 50 IGAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)c3CO2)cc1 263616430 IPWCLWGGXWSFFD-HSZRJFAPSA-N 447.539 3.137 0 50 IGAA O=C1C[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@H]4CC(=O)c5ccccc54)[C@@H]3C2)c2ccccc21 476267082 RVSNHONNBGIYEA-YMPRXVIZSA-N 442.515 3.176 0 50 IGAA CC1(C)CN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@]2(CCOC2)O1 483176309 NJHGOSAHMCIMQZ-KRWDZBQOSA-N 431.846 3.104 0 50 IGAA CCOC(=O)Cc1cnc(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)s1 1310884280 MUSBYCUFKPTZSK-LBPRGKRZSA-N 444.282 3.406 0 50 IGAA O=C(NCCCc1cn(Cc2ccccc2Br)nn1)c1ccc2n[nH]cc2c1 1875359245 ZATAYNAFLFFXRL-UHFFFAOYSA-N 439.317 3.328 0 50 IGAA COCC1(CC(=O)N2CCC[S@](=O)(=NC(=O)Cc3coc4cc(C)ccc34)CC2)CC1 2332238252 JAZSKRIXZAYNOQ-WJOKGBTCSA-N 446.569 3.327 0 50 IGAA C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CC(=O)O)C3=O 2332918080 GKCMJUSAAAXAAP-HDMFQMNFSA-N 443.540 3.340 0 50 IGAA C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1C(=O)c2ccccc2C1=O 13661630 FZFWYCAZDDMQEJ-AWEZNQCLSA-N 446.334 3.322 0 50 IGAA CSc1ccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)cc1 20241228 PASCWUKKLWAIFY-UHFFFAOYSA-N 435.615 3.444 0 50 IGAA O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC1(N2CCOCC2)CCCC1 20451240 GTQUSDTXUSGGGG-QHCPKHFHSA-N 448.007 3.073 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1OC 23374011 DPCNIAFBMLQDNU-QFIPXVFZSA-N 428.573 3.214 0 50 IGAA Cc1cccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)c1C 169758059 MFTLCDRRFDUZTH-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA O=C(NCc1ccco1)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 225411088 IHVIRMVQPZTPDH-AEFFLSMTSA-N 432.480 3.023 0 50 IGAA biogenic COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239119570 IVNLTUWZWTUYRR-WXDXSDFVSA-N 442.515 3.298 0 50 IGAA CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn3cccnc13)c1cn(C(C)C)c3cccc(c13)N2 263588689 XGKJLMQIENLMMM-FQEVSTJZSA-N 426.480 3.465 0 50 IGAA O=C(CCc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263618012 QWIOPDCHWYJOKC-RUZDIDTESA-N 445.567 3.263 0 50 IGAA CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)c1nc2ccccc2n1C 334162698 XTVHJBJJQSFQLZ-DJABAAGCSA-N 429.590 3.112 0 50 IGAA CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3c(C(N)=O)cnc(O)c3c1)O[C@@H](C)C2 1875261298 FNNRAJPWPIXCTA-LVDDQXARSA-N 433.464 3.413 0 50 IGAA O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccc(F)cc1 6444820 MTAKZPFMKCCASP-UHFFFAOYSA-N 446.482 3.446 0 50 IGAA COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)N1CCCC1 10543843 HGTLLOKOKKSBMC-UHFFFAOYSA-N 432.542 3.197 0 50 IGAA C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2cscn2)c1 11789640 GJXPTFYGSIJAIG-HNNXBMFYSA-N 425.558 3.184 0 50 IGAA COc1ccc(CC(=O)Nc2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)cc1 12243587 VDDBCBSPMKJRJC-UHFFFAOYSA-N 433.556 3.369 0 50 IGAA O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccccc2)C1 14751647 XTSGAQDLYCBXAO-LEWJYISDSA-N 436.531 3.425 0 50 IGAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cnc(N(C)C)s3)CC2)c1 14961349 QDBWFUGKRKNYJM-UHFFFAOYSA-N 430.574 3.153 0 50 IGAA CCOC(=O)N1CCC(NC(=O)c2c(COC)n(CC3CCCCC3)c(C)cc2=O)CC1 14992364 RRNZOQVGIPFKQP-UHFFFAOYSA-N 447.576 3.234 0 50 IGAA CCOc1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 18093595 WAAICRUQYYWZIM-FQEVSTJZSA-N 428.916 3.354 0 50 IGAA COc1ccc(CCN2C[C@@H](C(=O)N3CCN(Cc4cccc(C)c4)CC3)CCC2=O)cc1 20997397 SUXVOTSHONSROQ-DEOSSOPVSA-N 449.595 3.129 0 50 IGAA C[C@H]1CN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CCN1C 22914061 FSONFQYQEPDMOZ-KRWDZBQOSA-N 437.975 3.322 0 50 IGAA COC(=O)c1ccc(-c2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 23360957 ABIDOWRYQHVNRI-JOCHJYFZSA-N 432.524 3.198 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1OC 23374008 DPCNIAFBMLQDNU-JOCHJYFZSA-N 428.573 3.214 0 50 IGAA COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1OC 169750937 XFUKJGWJROXCPG-QGZVFWFLSA-N 446.467 3.100 0 50 IGAA C[C@H](NC(=O)CN1CCN(C)c2cc(F)ccc21)[C@@H](O)c1ccc(Br)cc1 2325860769 TYFLVPHMJDELDC-RNODOKPDSA-N 436.325 3.083 0 50 IGAA Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2nncn2N)cc1 2210137 MNFJMJDTRVJGID-WOJBJXKFSA-N 437.550 3.320 0 50 IGAA O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2851128 NZNHJORIIAUODD-UHFFFAOYSA-N 443.750 3.249 0 50 IGAA CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1 6577283 BXGVSWPUZPIBFF-UHFFFAOYSA-N 439.537 3.173 0 50 IGAA COc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1OC 8593942 GXPRANQRHPVWBL-UHFFFAOYSA-N 438.571 3.489 0 50 IGAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(OC)c3OC)C2)cc1OC 9169646 HZNAWCGRYWYRLP-QGZVFWFLSA-N 442.468 3.264 0 50 IGAA COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(c5ccccn5)CC4)nc3C2)c(OC)c1 10338454 WVIVEPOJYZATJZ-KRWDZBQOSA-N 445.523 3.128 0 50 IGAA O=C(C1CCOCC1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 11880884 LXAWSUSBDFNNNL-UHFFFAOYSA-N 435.568 3.156 0 50 IGAA CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCCOC)C3=O)C1 12149162 CHFYYIZSCJPHSM-MOPGFXCFSA-N 441.572 3.327 0 50 IGAA Cc1ccc(C(=O)N2CCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)CC2)cc1 12152623 WWVXJWFVSWGZTL-UHFFFAOYSA-N 440.503 3.149 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 12160703 WLNIKLNMKWGVOT-DVECYGJZSA-N 427.545 3.117 0 50 IGAA COc1ccc(C2(C(=O)N3CCC(n4cc(C(=O)NC(C)C)nn4)CC3)CCCC2)cc1 14986914 ZNLWIYFJRQXVKC-UHFFFAOYSA-N 439.560 3.100 0 50 IGAA CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc(=O)c2c(C)cc(C)nc21 20214936 VRRNJNJNDYKWOW-UHFFFAOYSA-N 428.514 3.176 0 50 IGAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)c2)no1 490587387 RGYIWDIUUZTSSU-UHFFFAOYSA-N 440.481 3.311 0 50 IGAA O=C(Nc1ccc(-n2nccn2)nc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730470892 KNUQBPIGGNYKGH-UHFFFAOYSA-N 434.769 3.168 0 50 IGAA O=C(N[C@@H](C(=O)O)c1ccccc1F)c1cnc2sc(Cc3ccccc3)cn2c1=O 1875257293 HWNSCQWNPYYPQZ-GOSISDBHSA-N 437.452 3.042 0 50 IGAA Cc1ccncc1-c1cn([C@H]2CCCN(C(=O)c3cccc(-n4ccnc4O)c3)C2)nn1 1875360448 HYACPYWHSIOXEV-IBGZPJMESA-N 429.484 3.017 0 50 IGAA C[C@@H](NC(=O)[C@H](N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2 2325861683 XOXSTFFXPFRWOK-ADLMAVQZSA-N 449.292 3.053 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(C(F)(F)F)nn1C)CC[C@@H](C)C3 2779065 CFWDGYSWWCQHLI-MRVPVSSYSA-N 425.436 3.027 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCC(OCc3ccccn3)CC2)CN1Cc1ccccc1F 12429598 MRUBQDNSHCBIBC-LJQANCHMSA-N 425.504 3.167 0 50 IGAA CC(C)C1=NO[C@@H](C(=O)N2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)C1 12434979 IPADAGNHYOTHTJ-HSZRJFAPSA-N 440.588 3.155 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cccc(Cl)c1)C2 14532905 WAVISZSLHSKHAC-LJQANCHMSA-N 430.980 3.312 0 50 IGAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1OC 15919262 VTETVNAEOXLCGQ-UHFFFAOYSA-N 430.482 3.052 0 50 IGAA O=C(CCn1cccn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55310769 MEYSZYZATLRMHL-HXUWFJFHSA-N 435.494 3.105 0 50 IGAA COC(=O)[C@H](CNC(=O)c1csc(C(C)C)n1)Oc1ccc(Br)cc1 241774093 RNAIYCRQYALNEQ-AWEZNQCLSA-N 427.320 3.379 0 50 IGAA Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cc(S(N)(=O)=O)c1C 828140736 HHLUPZVWQSPOFA-OAQYLSRUSA-N 429.586 3.298 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 1772492660 CBHAAIFAQOMMAF-LMVRJCEZSA-N 442.585 3.396 0 50 IGAA CC(C)(C)c1cccc(OCCNC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 1875254501 CFILCOHEMVUMFA-GOSISDBHSA-N 441.547 3.261 0 50 IGAA CCOc1nc(C)ccc1C(=O)N1CCC2(CC(NC(=O)c3ccc(F)c(F)c3)C2)C1 1875326302 PFENJRSMHCATHY-UHFFFAOYSA-N 429.467 3.492 0 50 IGAA CCOC(=O)C1CCN(Cc2ccccc2OC[C@@H](O)CN(C)C2CCCCC2)CC1 11770360 LJXWKRWFCPDBHV-QHCPKHFHSA-N 432.605 3.466 0 50 IGAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)/C=C/c2cccnc2)O3)cc1 12034267 SDLDSGBOBUZGNJ-MSVNAZOTSA-N 434.517 3.285 0 50 IGAA CC1=NN(C(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)[C@](O)(C(F)(F)F)C1 13960028 BZNYFMWPYLJOHB-CYBMUJFWSA-N 445.186 3.320 0 50 IGAA CCN(C(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O)c1ccccc1 20573256 PWFOWLJXLTXPSS-UHFFFAOYSA-N 428.492 3.217 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C2=C1C(=O)OC2 169764778 CSOKKRIYBLRCDF-JOCHJYFZSA-N 435.480 3.164 0 50 IGAA CCOC(=O)[C@H](NCC(=O)Nc1ccccc1Br)c1ccc(OC)c(F)c1 170599682 PMNMDGAAGXDEOW-GOSISDBHSA-N 439.281 3.429 0 50 IGAA CC(=O)N[C@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)cc1 253488723 BPUBJSOKPBIYRB-HXUWFJFHSA-N 440.931 3.414 0 50 IGAA CNc1nc(N[C@H]2CCCc3nc(C)ncc32)nc(N[C@@H]2CCCc3nc(C)ncc32)n1 758454229 WLFFXDJPGKSMOP-KDURUIRLSA-N 432.536 3.089 0 50 IGAA O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cc(-n2cnnn2)ccc1Cl 761009970 GNUPJHLDNBDIQE-UHFFFAOYSA-N 448.870 3.148 0 50 IGAA CCCn1c(=O)nc(O)c2c(C(=O)N3CCn4c(Cl)ccc4[C@@H]3C)cc(C3CC3)nc21 819860731 VZDITAMVPJMRHW-LBPRGKRZSA-N 441.919 3.456 0 50 IGAA O=S(=O)(c1ccc(Br)cc1F)N1CCc2[nH]nc(C(F)(F)F)c2C1 1875262053 MQVSSYZXLKTTBC-UHFFFAOYSA-N 428.205 3.077 0 50 IGAA CC(C)c1ccccc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819808 QIKWFJUUDCCNKU-KRWDZBQOSA-N 425.504 3.111 0 50 IGAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 1147055 NDHFPPVVLIDVPM-INIZCTEOSA-N 431.558 3.236 0 50 IGAA CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4611615 MNGJXXOGLLZAJR-JRGCBEDISA-N 426.513 3.228 0 50 IGAA CN(C)CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCN(C)C)cc2)cc1 4794748 VVCGWJVXIUOLJG-UHFFFAOYSA-N 428.533 3.498 0 50 IGAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697716 SFNUKFCCHOTFEN-UHFFFAOYSA-N 446.536 3.279 0 50 IGAA O=C(Cc1ccc(N2CCC(N[C@@H]3CCOC3)CC2)cc1)NCCc1cccc(F)c1 12218650 WRMBRCSEFOKFLY-HSZRJFAPSA-N 425.548 3.074 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCCc2ccc(F)cc2)C4)cn1 12453971 XKORZZXRMVSAQJ-SFHVURJKSA-N 437.544 3.069 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 32541568 YHMHMHZXKLLDRN-NQIIRXRSSA-N 437.918 3.114 0 50 IGAA Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(C(=O)c4ccco4)CC2)[C@H]3CCC1 36265363 LLPOVGVCHOKCBT-QFIPXVFZSA-N 446.551 3.220 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1cccc2[nH]ccc12 67542019 VNPQMJXVQKZCSC-FQEVSTJZSA-N 444.457 3.194 0 50 IGAA COc1ccc(CN2CCN(Cc3cccc(OC)c3OC)C[C@H]2CCO)c(C)c1C 104429105 QJNWQFFHBZBXGJ-JOCHJYFZSA-N 428.573 3.398 0 50 IGAA COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)cc(OC)c1OC 169780561 QYWMFOZXWNHRQS-FQEVSTJZSA-N 425.485 3.367 0 50 IGAA COc1ccc(C(=O)N2CCCC23CCCCCC3)cc1S(=O)(=O)N1CCOCC1 170591776 GESSXUAKAHDFJQ-UHFFFAOYSA-N 436.574 3.045 0 50 IGAA COc1ccc(OC)c2c1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C)C[C@@H]2O 328593491 BCRJXUGHJOEOIR-KUDFPVQQSA-N 448.560 3.361 0 50 IGAA CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)C1 485134715 HHIRNMDWOVVNFZ-AWEZNQCLSA-N 439.969 3.195 0 50 IGAA NC(=O)[C@@]1(c2ccccc2)CCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 1307843076 LNIHYOALNMKZHY-NRFANRHFSA-N 441.329 3.052 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)c12 1469086135 XYJVBETVQQUSNF-CXAGYDPISA-N 435.402 3.032 0 50 IGAA C[C@H]1CN(C(=O)c2nn(Cc3ccccc3)c3ncccc23)CCN1c1ccc(F)cn1 1857668647 SMSCSEUGWYNSGZ-KRWDZBQOSA-N 430.487 3.365 0 50 IGAA CCOC(=O)c1c(NC(=O)Cn2ccnc2)sc(Cc2ccc3c(c2)OCO3)c1C 1875256487 RZLZFKUZCATYDG-UHFFFAOYSA-N 427.482 3.388 0 50 IGAA COC(=O)COC[C@@H]1CCCN(c2ncnc3[nH]c4cc(Br)ccc4c23)C1 2325839732 CONRZOMJFHPQDZ-GFCCVEGCSA-N 433.306 3.280 0 50 IGAA Cc1nn(CCC(=O)NCCCn2nc(C)c(Br)c2C)cc1Br 2805108 HFVGAVGQWKZUHC-UHFFFAOYSA-N 447.175 3.126 0 50 IGAA COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc(Cl)c1OS(C)(=O)=O 2823270 SQQCIQNHKSWDTB-RIYZIHGNSA-N 425.821 3.171 0 50 IGAA NC(=O)C1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 9480690 GHMIMBVOCHPNLU-UHFFFAOYSA-N 429.473 3.015 0 50 IGAA CO[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C1 11881457 OJJRNBYTBUERCA-OFVILXPXSA-N 426.557 3.291 0 50 IGAA CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(C)cc1 12650730 KELQMBJJNMBMIM-UHFFFAOYSA-N 435.977 3.008 0 50 IGAA COc1ccc(CN2CCc3c(c(C(=O)NC4CC4)nn3Cc3cccc(OC)c3)C2)cc1 14541760 OSKCNPALQIMSAI-UHFFFAOYSA-N 446.551 3.399 0 50 IGAA Cc1ccc(F)c(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1F 14750731 OPTYKLCKFGBFGQ-QGZVFWFLSA-N 446.542 3.245 0 50 IGAA C[C@H](NC(=O)c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1)c1cccs1 14882877 YTPNUKSUHBMGKH-HIGJEIRPSA-N 427.574 3.163 0 50 IGAA CN(Cc1cscn1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 14981163 UWVDHCSBMZJBJA-UHFFFAOYSA-N 426.586 3.266 0 50 IGAA COc1ccc2cc([C@H](C)C(=O)OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1 98052687 QTUSNUCZIUBIBF-LIRRHRJNSA-N 436.417 3.451 0 50 IGAA in-vitro CN1CCC(N2CCN(Cc3cnc(-c4cccc5ccccc45)nc3)C[C@H]2CCO)CC1 104527858 JKZOAGYQXHGKNK-XMMPIXPASA-N 445.611 3.260 0 50 IGAA CC[C@@H](C)[C@H](NC(=O)c1csc(CN)n1)C(=O)N1CCC(Cc2ccccc2)CC1 237024610 ADQCFTFXOXSXEC-IERDGZPVSA-N 428.602 3.228 0 50 IGAA Cc1ccc(Cc2noc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)n2)cc1 263617897 QGFMQUICMTXLQU-UHFFFAOYSA-N 445.454 3.125 0 50 IGAA CCc1cc(C(=O)N2CC[C@@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)cc(O)n1 952894591 RZUZOJRALCNFMB-LJQANCHMSA-N 433.390 3.141 0 50 IGAA COc1cc(CN2C[C@H]3CN(Cc4ccc(Cl)s4)C[C@]3(CO)C2)cc2c1OCO2 1772707310 VAJKMZJFXGPMEZ-BTYIYWSLSA-N 436.961 3.065 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)nn1-c1ccccc1Br 1775988727 DFDTYOCQHZYDHC-RZQQEMMASA-N 447.377 3.302 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccnc3ccccc23)C1 1857684378 LOWGLXHSXCXOTK-TVZXLZGTSA-N 436.600 3.064 0 50 IGAA Clc1ccc(OCCn2nc(Cn3cncn3)nc2-c2ncnc3ccsc23)cc1 1875348014 FREMNXGKXILTNP-UHFFFAOYSA-N 438.904 3.322 0 50 IGAA COC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 846546 VMTWPGNDHGDWJO-OAQYLSRUSA-N 428.444 3.319 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(C)o3)c2=O)=N1 1159586 REZQQCBIQOFDHD-WSDUQJHMSA-N 442.562 3.397 0 50 IGAA O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)CCCc3cccs3)CC2)N1 12244654 UKQXGCKWPZXLDU-HSZRJFAPSA-N 425.554 3.130 0 50 IGAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cc(F)c(F)c(F)c1)CC2 14538150 LZHMRHOTZOIKNJ-AWEZNQCLSA-N 432.446 3.350 0 50 IGAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 14745225 FZUXKCYLAFBUFE-UHFFFAOYSA-N 431.540 3.045 0 50 IGAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1nc2c(s1)CCCC2 14979108 BNMAKBAFWGMLMI-QHCPKHFHSA-N 441.553 3.039 0 50 IGAA CCOc1cc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)ccc1OC 23129397 ADBXCTMDZWBYHF-NRFANRHFSA-N 444.572 3.180 0 50 IGAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 36385855 JBYWRUNQWHPVOE-JOCHJYFZSA-N 432.524 3.020 0 50 IGAA COc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 44803465 CENMEEKQENJUAT-IBGZPJMESA-N 431.540 3.204 0 50 IGAA Cc1ccc(OCCN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 67472792 XEIITWGRHARRED-NRFANRHFSA-N 447.938 3.015 0 50 IGAA CCc1ccccc1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 95400487 MZDQVIMYJVVNBL-SFHVURJKSA-N 426.494 3.039 0 50 IGAA COc1ccccc1N1C(=O)C[C@@H](SCC(=O)Nc2ccc(Br)cc2)C1=O 100567252 RHBYBACCKRIKCX-MRXNPFEDSA-N 449.326 3.462 0 50 IGAA Cc1c(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c(=O)n2c([nH]c3ccccc32)c1C#N 136229548 YGBUBDXYAGGFMT-MHWRWJLKSA-N 443.850 3.076 0 50 IGAA CN(Cc1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)C1CCCCC1 252475050 RORZEEXYXKYXAP-XUZZJYLKSA-N 444.620 3.310 0 50 IGAA O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 253396905 BHVXARYKSAECHO-SFTDATJTSA-N 430.508 3.215 0 50 IGAA biogenic O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 762393167 VSTQBKVHCKLWGM-GMAHTHKFSA-N 433.533 3.085 0 50 IGAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952893523 NCPLRHZMUQLLDM-LJQANCHMSA-N 446.364 3.493 0 50 IGAA CS(=O)(=O)c1ccc(Oc2ccc(Cl)nc2Br)c(S(C)(=O)=O)c1 1875309475 XFXBPJNRLFUACX-UHFFFAOYSA-N 440.724 3.097 0 50 IGAA CCOc1ccc(OCC)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1875319129 QGAPRXMCEUAWIG-UHFFFAOYSA-N 431.514 3.083 0 50 IGAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 691972 AJHIOSCDEIVDRC-UHFFFAOYSA-N 430.551 3.449 0 50 IGAA Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2nncn2N)cc1 2210138 MNFJMJDTRVJGID-PMACEKPBSA-N 437.550 3.320 0 50 IGAA CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)sc(C)c1C 2886303 DOBIKIYRRVBZLV-UHFFFAOYSA-N 447.542 3.257 0 50 IGAA COc1ccc(CCN(C)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 9088266 FZGPDXOSQWTSON-KRWDZBQOSA-N 447.329 3.273 0 50 IGAA COc1cc(CN(C(=O)C2CC2)[C@H]2CCCCNC2=O)ccc1OCCc1ccccn1 12160369 BYESKYFYFQKXCY-NRFANRHFSA-N 437.540 3.119 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 12836409 LCPOSRVDLJVEKR-MRXNPFEDSA-N 435.952 3.318 0 50 IGAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)[C@H](C)c1ccccc1)CC2 14531649 AJEPPGJBYQALEM-GOSISDBHSA-N 446.551 3.378 0 50 IGAA COc1ccc(OC)c(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)c1 16731389 KXIHHVNNZQHDKA-MHWRWJLKSA-N 444.310 3.145 0 50 IGAA O=C(NCC1(N2CCOCC2)CCCCC1)c1cn(Cc2cccc3ccccc23)nn1 23129171 ILLVFEKIQSOVEH-UHFFFAOYSA-N 433.556 3.245 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)nc(O)c34)CC2)c1 263617776 POGDWCVKISSFDE-UHFFFAOYSA-N 428.496 3.076 0 50 IGAA CS(=O)(=O)c1cccc([C@H](NS(=O)(=O)c2c(F)cccc2F)c2ccccc2)c1 462602767 NAERPXJZFPGQST-LJQANCHMSA-N 437.489 3.436 0 50 IGAA Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3sccc3Cl)cc2)n1 1875316953 KTVWAUGYBOYQQE-UHFFFAOYSA-N 444.947 3.102 0 50 IGAA O=C(NCc1cccc(COC2CCOCC2)c1)Nc1cccc(Cn2cccnc2=O)c1 2325727015 QQIRPEZOPSSTLR-UHFFFAOYSA-N 448.523 3.309 0 50 IGAA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(Br)c(O)c(OC)c1 1144894 DJSKIKZNDRQNLD-UHFFFAOYSA-N 440.290 3.086 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)n1 10264003 UBGJIIVHODOLGM-UHFFFAOYSA-N 431.543 3.083 0 50 IGAA O=C(C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1)N1CCOCC1 12714417 PKNNWCIUMBEELY-UHFFFAOYSA-N 446.551 3.321 0 50 IGAA O=C1CC[C@@H](N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCN1Cc1ccc(F)c(F)c1 15002966 GWKWTQFIVGJDGI-CEXWTWQISA-N 427.495 3.127 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12)NC1C2CC3CC(C2)CC1C3 15062534 GQVPTBAAMKFIDU-JFILDGTMSA-N 431.580 3.471 0 50 IGAA CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@H]1COc2ccccc2O1 20451111 JDJMMIWKKDWWHK-INIZCTEOSA-N 426.542 3.294 0 50 IGAA COC(=O)[C@@H](NC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)C(C)C 20542894 TZOLKNVAQLUHKE-DEOSSOPVSA-N 443.632 3.109 0 50 IGAA O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cnc(-c2ncccn2)s1 170624865 XYIDXFDJEOMXMP-LBPRGKRZSA-N 430.331 3.371 0 50 IGAA COC(=O)c1nc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)sc1C(C)C 252536481 IRMPZMWLYPVVMQ-CQSZACIVSA-N 444.513 3.097 0 50 IGAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(-c3nc4ccccc4s3)o2)c1O 253623726 IWJLHYFQYYAIGU-SNVBAGLBSA-N 439.449 3.156 0 50 IGAA O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)[C@H](O)c1cc(Cl)cc(Cl)c1 769657166 JRXJDEVXCOIQAT-UONOGXRCSA-N 430.654 3.238 0 50 IGAA O=C1COc2ccc(C(=O)NC[C@@H](CN3Cc4ccccc4C3=O)c3ccccc3)cc2N1 1775942524 XXNQVCQHNCMUDK-FQEVSTJZSA-N 441.487 3.187 0 50 IGAA Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2)cc1OCC(=O)Nc1nncs1 645347 MEZAZGBRCGLODX-UHFFFAOYSA-N 438.918 3.318 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCN(CC(C)C)C[C@@H]2CCC(=O)NC(C)C)CC1 11963565 PJUHABPMWOHPPW-XZOQPEGZSA-N 444.664 3.469 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)(c2ccccc2F)C1=O 12151320 JWOIGDYFGCTHKB-LMKMVOKYSA-N 448.498 3.125 0 50 IGAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCC(C)C 14543275 NEDVUQYGWQUNPQ-LJQANCHMSA-N 431.577 3.375 0 50 IGAA CCCN1CCC(N2C[C@H](NCc3c(OC)ccc4ccccc34)C[C@H]2C(=O)NC)CC1 19300646 IPVLIPFAGZPGGD-YKSBVNFPSA-N 438.616 3.001 0 50 IGAA COC(=O)c1ccc(-c2nc(CN3CCN(C(=O)c4cccc(OC)c4)CC3)c(C)o2)cc1 19641813 SPQASZKUCGGKJU-UHFFFAOYSA-N 449.507 3.403 0 50 IGAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 19644976 INOGNAOBZREAQB-PCHAPFSGSA-N 446.569 3.175 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)CC1 19841837 UZJBXFNISTUSCH-OAQYLSRUSA-N 425.577 3.228 0 50 IGAA CC(C)N1C[C@H](NCc2ccc(Cl)cc2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 23362597 VBWRSJAMZNKIRO-RTWAWAEBSA-N 443.975 3.369 0 50 IGAA CCc1nn2c(ncc3c(=O)n(CCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 40397557 UHXKGXNXKJNDSI-UHFFFAOYSA-N 437.931 3.259 0 50 IGAA CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc3ccc(Br)cn3n2)c1 170614353 NIWMHUXVKLKSLG-UHFFFAOYSA-N 426.267 3.282 0 50 IGAA COC(=O)[C@H]1CCc2c(nn(Cc3cccc(C(C)C)n3)c2I)C1 225824745 RDJNCRZSCCFTAY-LBPRGKRZSA-N 439.297 3.332 0 50 IGAA Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCCOc1ccc2c(c1)OCO2 253415729 SNPHFRXYMCBEQQ-UHFFFAOYSA-N 443.525 3.113 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 257371820 RPSDHZIBTGYTAW-BGJPATFMSA-N 446.503 3.054 0 50 IGAA COc1ccc(-c2cc3n(n2)[C@@H](NC2CCN(Cc4ccccc4)CC2)CNC3=O)cc1 263615798 FGQRCEYGLNMCOX-XMMPIXPASA-N 431.540 3.055 0 50 IGAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)CCN3CCCCCC3=O)CC2)n1 952988255 CHUWKMKLJUAZEY-UHFFFAOYSA-N 441.498 3.060 0 50 IGAA CCc1ccccc1CN1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NC(C)C)C1 1875246801 NAPWOEQFLNIXDR-DGWZTRNLSA-N 427.633 3.467 0 50 IGAA Cc1sc(S(N)(=O)=O)cc1NC(=O)N1CCc2c(F)cc(Br)cc2C1 2325740497 OTKJGAIZMZVHNW-UHFFFAOYSA-N 448.339 3.196 0 50 IGAA COc1ccc(C)cc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O 2850891 DHBWVGJSAIQPDH-UHFFFAOYSA-N 445.310 3.310 0 50 IGAA O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(F)c1F)CC2 12152845 IANLRCNUJNQUKZ-UCFODXPJSA-N 425.479 3.361 0 50 IGAA CCN(CC)CC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12437860 JDDRHZMHGKMDCJ-RUZDIDTESA-N 427.633 3.215 0 50 IGAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O 15005629 LHZPNFVTUXSRGQ-ZDUSSCGKSA-N 439.434 3.398 0 50 IGAA O=S(=O)(Nc1ccc(N2CCOCC2)cn1)c1cc(Cl)ccc1Br 225530794 IVFYKLKZCYXWHR-UHFFFAOYSA-N 432.727 3.135 0 50 IGAA COc1cccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC(C)C)c1 248188138 JKFQPGKPTRXCFH-YOEKFXIASA-N 434.529 3.133 0 50 IGAA biogenic O=C([C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1)N1CCN(c2ccccc2)CC1 263619373 YLKIJQAJCBBBLM-FQEVSTJZSA-N 444.583 3.173 0 50 IGAA O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1 828552904 QKBHTOFBJTVTDS-OAHLLOKOSA-N 426.897 3.120 0 50 IGAA COC(=O)c1cc(Cl)c(NC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1OC 1875255611 YJYKMZGWAAJWRE-MRXNPFEDSA-N 438.786 3.095 0 50 IGAA COc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cnc(C(C)C)s3)[C@@H](C)C2)cc1 2325827969 VIMPITRSNCFYGM-JKSUJKDBSA-N 431.558 3.416 0 50 IGAA COc1cc(C(=O)N2CCC3(CC2)OCCc2sccc23)cc(OC)c1OCCCN 2356155615 KEAFGWRDGBJSLQ-UHFFFAOYSA-N 446.569 3.197 0 50 IGAA CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 632696 VTMFJPSSWIOTJV-UHFFFAOYSA-N 437.363 3.372 0 50 IGAA CS(=O)(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 805055 PMLBASAQPCZXIZ-UHFFFAOYSA-N 439.990 3.152 0 50 IGAA COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1[C@@H](C(=O)OC)CC2 943848 JEQCKODELJMBCE-PPOCWRSBSA-N 445.493 3.407 0 50 IGAA CN(C)c1ccc(-n2nc3ccc(NC(=S)NC(=O)COc4ccccc4)cc3n2)cc1 2825669 IMBBQJNUQDYKAR-UHFFFAOYSA-N 446.536 3.379 0 50 IGAA COc1ccc(CNCc2cc(C)n(C)n2)c(OC[C@H](O)CN2CCCCCCC2)c1 12586991 CRTFSFPTRVTZAL-JOCHJYFZSA-N 430.593 3.033 0 50 IGAA Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@H](N1CCC(N3CCCCC3)CC1)C2 14753060 RPQUWJRBUHOUHP-QHCPKHFHSA-N 449.643 3.200 0 50 IGAA CCN(CC)CCN(CC)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 14879650 KZAOIKVIMBPIPD-VWLOTQADSA-N 445.579 3.345 0 50 IGAA COC(=O)c1sc2nc(CN3CCOCC3)ccc2c1NC(=O)c1cccc(C)c1 20914729 ICNRTBLOPXWKHV-UHFFFAOYSA-N 425.510 3.476 0 50 IGAA COCCn1ccc2ccc(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)cc21 206239927 BTPCOHLTHCBOAD-HXUWFJFHSA-N 432.480 3.097 0 50 IGAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC 206244146 SXJWMYTVNNJBDY-QGZVFWFLSA-N 436.468 3.024 0 50 IGAA O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239347359 MTXMAXMAULKZDK-ZFGLVRGFSA-N 430.479 3.429 0 50 IGAA O=C(CN1CCN(c2ccc3nncn3n2)CC1)Nc1ccccc1Sc1ccccc1 303240052 ATPAGDVPXHMVIK-UHFFFAOYSA-N 445.552 3.036 0 50 IGAA O=C(C1CCOCC1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857702942 JNDUBZGHEKPCMP-JOCHJYFZSA-N 428.573 3.428 0 50 IGAA Cn1c(=O)[nH]c(=O)c2c1nc(SCCc1ccccc1)n2Cc1ccc(Cl)cc1 627179 GHQKKPYLEAUKFT-UHFFFAOYSA-N 426.929 3.460 0 50 IGAA biogenic O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 873264 OYXWAOYMDAIYIT-UHFFFAOYSA-N 433.420 3.129 0 50 IGAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccccc2s1 2768703 GDEMURGCUKAEJN-MRXNPFEDSA-N 443.550 3.330 0 50 IGAA CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@@H](C(=O)OC)c1ccccc1 2884854 FHOXDLLMWGBVCM-QZTJIDSGSA-N 449.536 3.418 0 50 IGAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C 11699236 BOKNBWYHIVHFHC-HSZRJFAPSA-N 448.567 3.224 0 50 IGAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)c3coc4c3C(=O)CCC4)c(C)o2)c1 11782242 PXBAXOKXSVTKAH-UHFFFAOYSA-N 437.452 3.277 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCCN(C)C2)CC1 11874275 DJJBXROLDKXQLF-QGZVFWFLSA-N 440.548 3.041 0 50 IGAA COc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1OC 11936973 XBNAUIKUJAVJEA-HXUWFJFHSA-N 425.529 3.257 0 50 IGAA O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 13818117 OZRWDIUZWSTUSM-UHFFFAOYSA-N 432.455 3.076 0 50 IGAA CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)CC2CC2)CC1=O 14538372 RUUBVESTFPDTNW-GOSISDBHSA-N 428.451 3.350 0 50 IGAA CN1CCN(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)CC1 16400539 JCMHHLWEORMIBA-UHFFFAOYSA-N 444.870 3.022 0 50 IGAA CC(C)Oc1ccc(CN2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1 22752450 VADBJAKYCDYZRV-UHFFFAOYSA-N 425.558 3.235 0 50 IGAA COc1ccccc1[C@H]1CN(CC(=O)NCCn2nc(C)cc2C)Cc2ccccc2O1 39354697 ULXJJYUIXGEORO-XMMPIXPASA-N 434.540 3.261 0 50 IGAA CCOc1ccccc1N1CCN(Cc2nc(Cc3ccc(OC)c(OC)c3)no2)CC1 55576356 LPNCOMVBEDJCFG-UHFFFAOYSA-N 438.528 3.399 0 50 IGAA O=C(CCc1nc(-c2cccs2)no1)N[C@@H](CO)c1ccccc1OC(F)(F)F 225438842 WQFQCYFQDYRCJE-LBPRGKRZSA-N 427.404 3.479 0 50 IGAA CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 390834798 ZRXQCKBJCDXYNJ-GWJPWWOOSA-N 435.524 3.454 0 50 IGAA NC(=O)[C@]1(c2ccccc2)CCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 1307843078 LNIHYOALNMKZHY-OAQYLSRUSA-N 441.329 3.052 0 50 IGAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(c2ncnc3ccsc23)CCCN1 1875240232 NEYBJXMKABSUMU-SFHVURJKSA-N 437.569 3.088 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1Cl 1058922 NOGLKZHRYHUXDF-SFHVURJKSA-N 448.972 3.334 0 50 IGAA COc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)cc1 2980791 MKRKAEGZVQDONM-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)(c2cccc(F)c2)C1=O 12155529 RKWWBCZDSBVJIZ-DEOSSOPVSA-N 442.462 3.051 0 50 IGAA COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2cccc(-n4cccn4)c2)C3)nn1 12161528 OKPKSMVRDWHNLY-HXUWFJFHSA-N 441.491 3.380 0 50 IGAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 12206967 RRZMXNJAMVYKIB-SFHVURJKSA-N 428.554 3.221 0 50 IGAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 12579009 MSVWZMQCHITVGA-UHFFFAOYSA-N 434.964 3.313 0 50 IGAA O=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13745993 VZPUFNRDBBLTPQ-UHFFFAOYSA-N 442.310 3.127 0 50 IGAA COc1ccc(Br)cc1CN1CCN(C(=O)c2c(OC)cccc2OC)CC1 19773901 NGGGQLRNKXUZIW-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc5[nH]ccc45)ccn3n2)cc1 169775875 AOOJQWBPSYQWQF-UHFFFAOYSA-N 427.464 3.083 0 50 IGAA CSCC[C@@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 223223648 DNIBOKGRDWGPCQ-MRXNPFEDSA-N 427.921 3.416 0 50 IGAA Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)cc1Br 239009562 AVGNUYYJZQRWSZ-RHWCJKNGSA-N 443.341 3.448 0 50 IGAA CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc(C(=O)OC(C)C)c1 239338888 LJORUAWHBYYAPG-KODHJQJWSA-N 429.469 3.278 0 50 IGAA O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1)c1ccccc1 239439043 ZJEXNVFTVWUFNY-HEQIONGGSA-N 433.504 3.024 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]1[C@@H]1CCCN12 249695200 QJSXYMDBXXURBE-YGWSKSRPSA-N 429.520 3.149 0 50 IGAA CCCCn1c(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)nc2c1c(=O)nc(O)n2Cc1ccccc1 253532718 TVHAWHHJVLOHJE-IWFBPKFRSA-N 433.556 3.377 0 50 IGAA CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1Cc2ccccc2N(C)C1 444538260 BYCAMOYZONPFHK-FDDCHVKYSA-N 432.568 3.276 0 50 IGAA O=C1CC2(CCN(C[C@H](O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CN1 466925913 QAEAIXRIJCGGKD-NRFANRHFSA-N 430.495 3.034 0 50 IGAA Cc1ccc(NCCCNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)oc2C)nc1 825195437 YHJDEUZKXHXOOG-UHFFFAOYSA-N 443.451 3.481 0 50 IGAA CCOC[C@@H](C)Oc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(C)nn2C)CC1 1857670957 JYAPZFZXEIGXQL-GOSISDBHSA-N 427.545 3.237 0 50 IGAA Cc1ccc(CNC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(N(C)C)c1 1875264819 SYYAHVVUZRLKTM-QGZVFWFLSA-N 425.451 3.319 0 50 IGAA COc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC 846283 NNUVRORHIJKYAL-LPGQDOADSA-N 444.915 3.423 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 943620 QOPVFWITDZMGQG-LBPRGKRZSA-N 426.494 3.284 0 50 IGAA CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCCOc1ccccc1 2868574 DKSNKXVNNPXHIO-UHFFFAOYSA-N 426.542 3.337 0 50 IGAA CC(=O)c1ccc(OCc2cc(C(=O)N3CCC(N4CCSCC4)CC3)no2)cc1 11842533 SWCJZZJNAYYFJA-UHFFFAOYSA-N 429.542 3.110 0 50 IGAA COc1ccccc1OCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 12051464 INJMKOAKJGFIMY-INIZCTEOSA-N 425.872 3.304 0 50 IGAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)N1 12154234 OLQGXKNILDHGJA-SANMLTNESA-N 443.551 3.295 0 50 IGAA O=C(NCCc1ccc(Cl)cc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 12429198 LSFJCHAYBMNPCF-UHFFFAOYSA-N 440.308 3.323 0 50 IGAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12574786 IBPCBSRTSXPYPK-DEOSSOPVSA-N 438.478 3.330 0 50 IGAA CN(Cc1nc2ccccc2s1)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 14754467 GSTYMXWLKXOAMP-HNNXBMFYSA-N 441.626 3.208 0 50 IGAA CCOC(=O)[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14996545 NXECJTVYAFQRQE-AUSIDOKSSA-N 432.586 3.324 0 50 IGAA O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(Br)c1 18250434 FDAZJJPNEHJHAO-SFHVURJKSA-N 432.293 3.042 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCCCN2C)n1CCCc1ccccc1 20599287 HDVLMHMURAKUDI-NRFANRHFSA-N 432.634 3.226 0 50 IGAA COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)o2)cc1OC 220960997 WPHULOXVBMPSSV-UHFFFAOYSA-N 442.497 3.367 0 50 IGAA COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC[C@H](O)c2cccc(F)c2)CC1 921081153 LOAWFGSWLLZEDA-IBGZPJMESA-N 434.895 3.190 0 50 IGAA COc1cc(Nc2nnc(-c3cc4c(CO)cnc(C)c4oc3=O)s2)cc(OC)c1 1775972984 IKSYNVPPQVRRIR-UHFFFAOYSA-N 426.454 3.268 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2CC[C@@H](Nc3cccc(C)n3)C2)sc(C(C)=O)c1C 1875254127 BAVBGMJYZFOURV-MRXNPFEDSA-N 444.557 3.264 0 50 IGAA C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN(CC(=O)O)C3=O 2332918078 GKCMJUSAAAXAAP-AHVRVBJESA-N 443.540 3.340 0 50 IGAA Cc1ccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 1135666 YIPCOENBIULYCK-MRXNPFEDSA-N 428.348 3.126 0 50 IGAA CCOC(=O)c1c(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)sc(C)c1C 2806588 WEDPRKOGTYOCGQ-UHFFFAOYSA-N 435.531 3.209 0 50 IGAA CCOc1cc(C(=O)Nn2c(S)nc3ccccc3c2=O)cc(OCC)c1OCC 17096502 SWZHSMZKQCVHBD-UHFFFAOYSA-N 429.498 3.265 0 50 IGAA COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C(=O)O)C(C)C)cc1 65362563 JLVUNZNHEDANQB-YADHBBJMSA-N 442.512 3.479 0 50 IGAA biogenic Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1N(C)S(C)(=O)=O 65363223 LPDSKYFDGFFNAN-UHFFFAOYSA-N 431.558 3.116 0 50 IGAA CCO[C@@H]1C[C@](NC(=O)CCc2ccc(OC)c(Br)c2)(C(=O)OC)C1(C)C 170602658 UEEAOXMDUZVZHW-UZLBHIALSA-N 442.350 3.253 0 50 IGAA O=C(NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1nc(Cl)ccc1Cl 225321246 LNUBLGBBGFLBGV-LSDHHAIUSA-N 434.327 3.109 0 50 IGAA O=C(CCCCCNC(=O)NC1CCCCC1)NS(=O)(=O)Cc1cccc(Cl)c1 799648630 PFLFKKAVTKYJCU-UHFFFAOYSA-N 443.997 3.478 0 50 IGAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 952963875 LEJLIHLWKYVOQL-CYBMUJFWSA-N 435.958 3.419 0 50 IGAA CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccc2c1C(=O)NC2 1875362252 XWZXLAQHCQJHAJ-UHFFFAOYSA-N 425.794 3.313 0 50 IGAA COc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)O2)cc1OCc1cccnc1 2325718807 CRTDGYCYPSXMNY-MOPGFXCFSA-N 428.485 3.497 0 50 IGAA Cc1cnc(COCC(=O)Nc2ccc(NC(=O)COCc3ncc(C)o3)c(C)c2C)o1 2325722308 GKVZXROODNXBEL-UHFFFAOYSA-N 442.472 3.207 0 50 IGAA CCOC(=O)c1oc2cc(OCC(=O)OC)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 1129024 PQTCNJQWIPFBJY-UHFFFAOYSA-N 442.420 3.206 0 50 IGAA biogenic CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccnc1 9426922 MUKCARJMTJJYKL-UHFFFAOYSA-N 425.514 3.498 0 50 IGAA CC[C@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)Cc2cc(OC)ccc2O1 12182172 DPPZEJOJPGVENC-QHCPKHFHSA-N 437.584 3.449 0 50 IGAA CCCc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n(C)n1 12713079 NBEVOWPYFDXGSA-HXUWFJFHSA-N 443.611 3.428 0 50 IGAA CCOC(=O)c1cnn(-c2ccccc2Cl)c1CN1CCC[C@@H](c2nncn2C)C1 15004221 FTEBOOLOZDYXQY-OAHLLOKOSA-N 428.924 3.211 0 50 IGAA CSc1cccc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c1 23374461 RIQKUUCVEDMJGM-JWQCQUIFSA-N 425.642 3.204 0 50 IGAA CCc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4nc5ccccc5[nH]4)CC3)CC2=O)cc1 170636112 NFMUYIFGRLGYJG-IBGZPJMESA-N 445.567 3.259 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 226932167 DFAXQDXNKHEZMB-KCXPTXFHSA-N 443.837 3.049 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 248162844 PWKJWSNJXRSQCX-ZJZGAYNASA-N 444.531 3.490 0 50 IGAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C 487585837 GAHPXHDUGFOYHE-IRXDYDNUSA-N 429.524 3.363 0 50 IGAA CC(C)Cn1c(=O)nc(O)c2c(C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc(C(C)C)nc21 489065174 CKGPIXYQIZJKDP-MRXNPFEDSA-N 442.560 3.498 0 50 IGAA O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 495141909 RGHAZLAHUWGJJD-DFORFGHVSA-N 440.547 3.334 0 50 IGAA COc1ccc(NC(=O)[C@@H](NC(=O)N2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc1 888090476 BQFCRFLIAHUNOR-QFIPXVFZSA-N 441.528 3.443 0 50 IGAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CC(Cc2ccccc2OC(F)(F)F)C1 1875264644 KDJJAEAJYCPNFC-QGZVFWFLSA-N 435.450 3.228 0 50 IGAA Cc1cc(C)c([S@](=O)CC(F)(F)F)cc1-n1cnc2nn(-c3cccnc3)cc2c1=O 2325811239 HNPDVCUVKBATPR-WJOKGBTCSA-N 447.442 3.253 0 50 IGAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cc2ncccc2s1 2325824093 OZPJNNNNHOKSFM-WBVHZDCISA-N 425.558 3.284 0 50 IGAA CCc1ccc(C(=O)N[C@H]2CCCCN(C(=O)[C@@H]3CCC(=O)N(CC)C3)C2)cc1Cl 2325864637 URYAPDBUZISTJD-MOPGFXCFSA-N 433.980 3.272 0 50 IGAA CCC[C@@H]1C[C@H](C(=O)N=[S@@]2(=O)CCCN(c3nc(C(C)C)ns3)CC2)CCO1 2332238694 HZMMBIGTZFJULT-GKWFENNMSA-N 428.624 3.462 0 50 IGAA C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CC(=O)O)C3=O 2332918081 GKCMJUSAAAXAAP-LWZHYZBXSA-N 443.540 3.340 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCN(C(=O)OCC)C2 4150895 UUIGRVPGCRWLGR-UHFFFAOYSA-N 437.562 3.254 0 50 IGAA COc1cccc(CN2CCC3(CC[C@H](CNC(=O)c4csc(C)n4)O3)CC2)c1OC 11814741 QSRFPTQOTOHROV-GOSISDBHSA-N 445.585 3.412 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)CC1 12149320 HSWSXZCNQLWKFY-UHFFFAOYSA-N 425.514 3.115 0 50 IGAA CC1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)C2)CC1 12150325 WZQGRXKOOVNJQS-FQEVSTJZSA-N 446.551 3.353 0 50 IGAA CCOC(=O)COc1ccc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC 12413406 NQCMQYXBYSROID-RGVLZGJSSA-N 438.505 3.024 0 50 IGAA CCOc1cc(CN2CCC[C@H](Cn3cc(C(=O)N(CC)CC)nn3)C2)ccc1OC 14986737 OROGWMDBJWLXBT-IBGZPJMESA-N 429.565 3.080 0 50 IGAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2c(F)ccc(F)c2F)CC1 15079176 OQSZXAGZPHZMSR-QGZVFWFLSA-N 428.495 3.012 0 50 IGAA CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 87493298 LOORPDPTUOMYOZ-WOJBJXKFSA-N 440.496 3.037 0 50 IGAA C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169781374 VFVFJJXFYTVSHU-AEFFLSMTSA-N 430.468 3.236 0 50 IGAA CS(=O)(=O)N1CCCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)CC1 1775976862 QPVARHFTVFMBCM-UHFFFAOYSA-N 449.536 3.424 0 50 IGAA C[C@H](C(=O)NCc1ccccn1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1137243 RDWOMJXKWHTMEM-QGZVFWFLSA-N 425.510 3.345 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2oc1=O 1772183 YBFSIDFCRZUEFP-UHFFFAOYSA-N 427.463 3.303 0 50 IGAA Cc1cc(C)n(Cc2ccc(NC(=O)c3c(I)cnn3C)cc2)n1 2744043 UFBRDECHHLSUED-UHFFFAOYSA-N 435.269 3.139 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1 3973612 ATKZKAYWARYLBW-UHFFFAOYSA-N 446.356 3.221 0 50 IGAA in-vitro COCCN(Cc1ccccc1OCCO)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 11661088 CVIGOFXYWKQMTN-JOCHJYFZSA-N 438.612 3.386 0 50 IGAA COC(=O)c1ccccc1S(=O)(=O)N1CCC(CO)(CCCc2ccccc2)CC1 12075224 RAWCMYFSNADFAS-UHFFFAOYSA-N 431.554 3.259 0 50 IGAA Cc1nc(N2CCC(NC3Cc4ccccc4C3)CC2)nc2cc(S(C)(=O)=O)ccc12 12217137 GCVMRWWXLRRWRC-UHFFFAOYSA-N 436.581 3.068 0 50 IGAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2C(=O)c3ccccc3C2=O)c1C 12299128 UQIPIDBWEIGZPX-FQEVSTJZSA-N 428.492 3.279 0 50 IGAA Clc1ccc(-c2nnn(CCOCCn3nnc(-c4ccc(Cl)cc4)n3)n2)cc1 12374767 ZZIMWCAISYTBFO-UHFFFAOYSA-N 431.287 3.017 0 50 IGAA COc1cc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)ccc1OCc1ccccc1 13426888 VMSUZCIDZOOGNI-BKUYFWCQSA-N 442.500 3.348 0 50 IGAA CCC[C@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 14889556 HSGKXJIZZHHFAS-HYBUGGRVSA-N 434.625 3.236 0 50 IGAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCC[C@@H]2CCN(C)C)c1=O 14992336 YOJRGVCJUBAMKA-HXUWFJFHSA-N 446.636 3.227 0 50 IGAA O=C(CCc1cn2ccccc2n1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 15073662 ZJLNOFAXTKXFOF-NRFANRHFSA-N 435.547 3.219 0 50 IGAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 16014404 PBEKLJHHVDYKMQ-UHFFFAOYSA-N 441.553 3.350 0 50 IGAA CC(=O)c1cccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 20472293 BHDGCMHCBHNJBE-XMMPIXPASA-N 435.568 3.400 0 50 IGAA CC(=O)c1ccc(OCCCC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 170600854 QINDRCMAQSWAJO-UHFFFAOYSA-N 442.463 3.267 0 50 IGAA CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)cc(OC)c3n2C)cc2cccnc21 208156660 JCCVZBCVMBEDEN-QGZVFWFLSA-N 432.528 3.182 0 50 IGAA in-vitro CC(C)Cn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)nnc1N1CCOCC1 226577433 XRCHJKMUYCNSAX-HYFFOGBASA-N 435.638 3.194 0 50 IGAA CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 229988227 FWCLZZAOSCRDSU-GHTZIAJQSA-N 433.524 3.320 0 50 IGAA CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCO2)C1 252490853 LDAXNCGZERFVGQ-ZWKOTPCHSA-N 428.537 3.013 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 253394046 XRIBIFLLYHAMCH-ZHALLVOQSA-N 442.025 3.025 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1C 814007 UJKRTZSRQGWCLQ-UHFFFAOYSA-N 430.526 3.246 0 50 IGAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 1113811 SWYNZYOLTMEVKI-UHFFFAOYSA-N 449.488 3.031 0 50 IGAA CC1(C)C[C@@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 2484403 XEOOHATVIZIQPX-VQTJNVASSA-N 449.916 3.204 0 50 IGAA CCOC(=O)C[C@H]1CCCCN1C(=O)CC[C@]1(Cc2cc(OC)ccc2F)CCC(=O)N1 12450976 FJCIJUZLNXIIBC-KOSHJBKYSA-N 448.535 3.140 0 50 IGAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(CCc2ccccc2)C3)cc1 14535121 PLMIHOQOIBTPAT-UHFFFAOYSA-N 432.568 3.437 0 50 IGAA O=C(CN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 19596495 KZIACQRKSAILHU-UHFFFAOYSA-N 442.313 3.228 0 50 IGAA COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@H]43)nc(N)c2cc1OC 58682751 XBRXTUGRUXGBPX-IAGOWNOFSA-N 437.500 3.096 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1Cl 72140629 MVWLHDCWDVDWDE-UHFFFAOYSA-N 430.940 3.483 0 50 IGAA Cc1nn(CC(=O)OCCCN2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c1Cl 170609403 UXPIEFPJSYLRKH-UHFFFAOYSA-N 428.961 3.029 0 50 IGAA CC[C@@H](C)N(CC(=O)OC)C(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O 225592055 WPWNWDONZVVMLH-OAHLLOKOSA-N 431.558 3.103 0 50 IGAA Cn1c(=O)n2n(c1=O)[C@H]1C3[C@H]2[C@H]2[C@H]1[C@]1(c4ccccc4)C3(c3ccccc3)[C@@]21c1ccccc1 248054173 SBJLQVSJKNLARL-NFPWCNODSA-N 445.522 3.161 0 50 IGAA CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C1 765549200 RCZUQSKBGGCZHQ-INIZCTEOSA-N 440.422 3.466 0 50 IGAA O=C(NCc1ccnc(NC2CC2)c1)c1cccc(NS(=O)(=O)c2cccs2)c1 2325727189 CISVSBGTIDJDCC-UHFFFAOYSA-N 428.539 3.448 0 50 IGAA CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[C@@H]1CCCO1 1071208 JRWYFCSVHUGWGD-ODCWNRFASA-N 430.460 3.038 0 50 IGAA O=C(Nc1ccc(I)cc1C(=O)NCc1cccnc1)c1ccco1 1111492 RKXLSSILJOXIIY-UHFFFAOYSA-N 447.232 3.462 0 50 IGAA COc1cccc(C[C@H](C2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)c2ccn(C)n2)c1 11783575 RJUXZHWPURNESD-HSZRJFAPSA-N 440.588 3.397 0 50 IGAA COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)o1 11882122 XFHRXNGFXJDDEG-IBGZPJMESA-N 431.581 3.439 0 50 IGAA COCC(=O)Nc1cc(C(=O)N(C)Cc2ccno2)c2c(c1)ncn2CCc1ccccc1 12181964 QEAOUZFZYYIADM-UHFFFAOYSA-N 447.495 3.124 0 50 IGAA COc1ccc(C(=O)NCc2cc(C(C)(C)C)[nH]n2)cc1OC1CCN(C(C)=O)CC1 12317826 ZKZABUMMKIJMFE-UHFFFAOYSA-N 428.533 3.036 0 50 IGAA Cc1n[nH]c(C)c1CCNC(=O)c1ccccc1OC1CCN(Cc2ccccn2)CC1 12449067 CSSCHWDDFLWRNT-UHFFFAOYSA-N 433.556 3.437 0 50 IGAA COC(=O)c1c(S(=O)(=O)N2CCCCCCC2)sc2c1CCN(C(=O)C(C)C)C2 14886417 YPRKSXXQIPOPEJ-UHFFFAOYSA-N 442.603 3.030 0 50 IGAA CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc(Br)cc2)n1 20614643 NTLPLRPATPHAMF-UHFFFAOYSA-N 437.157 3.249 0 50 IGAA COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c(OC)c1 65363846 IIGGGSJTQSEJFY-QGZVFWFLSA-N 434.500 3.062 0 50 IGAA NC(=O)[C@H]1CCCN(Cc2ccccc2NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 170617466 SITMPWMDPRKWTH-INIZCTEOSA-N 439.940 3.118 0 50 IGAA C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170621512 QBUHMEOSCJEHJZ-OALUTQOASA-N 448.583 3.417 0 50 IGAA COc1ccccc1CN1CCC(NC(=O)COc2ccc(C(C)=O)cc2OC)CC1 170649065 SAKJCIYHCOBUQJ-UHFFFAOYSA-N 426.513 3.066 0 50 IGAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(OC)c(OC)c3)C2)c1 225848646 QPZFACWSGPISAY-SFHVURJKSA-N 442.468 3.264 0 50 IGAA COc1ccc(NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1OC 263616983 LMKJXMLHHDAMKH-UHFFFAOYSA-N 435.528 3.480 0 50 IGAA COc1ccc(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1OC 263619283 XXCQVLPMMBJKLX-INIZCTEOSA-N 435.528 3.480 0 50 IGAA O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)Nc1cc([C@H]2CCCOC2)[nH]n1 471250060 LJMGUAGEQDMKEB-INIZCTEOSA-N 429.546 3.066 0 50 IGAA CC(=O)c1ccc(Br)c(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)c1 797573705 KIOHEPNXKCXPEJ-UHFFFAOYSA-N 430.707 3.353 0 50 IGAA CC(=O)N1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)(N2Cc3ccccc3C2=O)CC1 1775968529 OIVMKRGFJZGXJN-UHFFFAOYSA-N 449.595 3.499 0 50 IGAA COC[C@H](NC(=O)CCC(=O)NCC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 1875263492 PCXPGQXDYVJOFT-SFHVURJKSA-N 438.858 3.201 0 50 IGAA O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 821083 MAJJFBWZCPWVOG-UHFFFAOYSA-N 429.325 3.048 0 50 IGAA COc1ccccc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 1057255 XPYZQBRYDOWAPQ-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA Nn1c(=O)c2ccccc2n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nnc12 1113004 DEOPUQJKJWWYOQ-UHFFFAOYSA-N 442.504 3.215 0 50 IGAA COc1ccccc1NC(=O)c1ccn(C(=O)c2cccc(I)c2)n1 1217347 UODLBHUXBVUPGZ-UHFFFAOYSA-N 447.232 3.437 0 50 IGAA O=C(C1CCN(C[C@@H]2CC=CCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 5897231 RPXKAZZLVHURRO-HXUWFJFHSA-N 425.573 3.128 0 50 IGAA O=C(c1cn(C[C@@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)nn1)N1CCCC1 12024980 GITXFNCAIDSIQH-QGZVFWFLSA-N 437.466 3.325 0 50 IGAA Cc1cccc(C(=O)N2CCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)CC2)c1 12152649 SVSBBEIVTCWUIP-UHFFFAOYSA-N 440.503 3.149 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3nc(-c4ccccc4)no3)CCC(=O)N2)cc1 12278405 ZQPIMFXXXCSQDQ-VWLOTQADSA-N 448.523 3.375 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(-c3ccccc3)c(=O)[nH]2)cc1 13544926 ZHZKSYJTRPXRJR-CYBMUJFWSA-N 439.493 3.439 0 50 IGAA COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 20541230 AVFBPSFLDHAOFE-DEOSSOPVSA-N 445.648 3.227 0 50 IGAA CCn1cc([C@@H]2C=C(c3ccc(I)cc3)Nc3ncnn32)c(C)n1 20606565 NNOMJVAHYHDMRH-INIZCTEOSA-N 432.269 3.464 0 50 IGAA CCN(C)Cc1cccc(CNc2c(F)cc(S(N)(=O)=O)cc2Br)c1 170595686 YSAKYUYPEOJNDI-UHFFFAOYSA-N 430.343 3.299 0 50 IGAA CO[C@H](C)c1nc(CN2CCCN([C@H](C)C(=O)N3CCc4ccccc4C3)CC2)cs1 439629754 BJKLYQJSBKTZRZ-RTBURBONSA-N 442.629 3.332 0 50 IGAA C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 752758651 AMJKJFBVIGLTIP-QGHHPUGFSA-N 426.325 3.169 0 50 IGAA CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)n1 1454255680 PPMIMDHDBMVGSK-IBGZPJMESA-N 429.484 3.212 0 50 IGAA O=C(N1CCC(Cc2ccc(O)nc2)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2CCO 1857735278 AXBQJVOWWLSSPM-DXBVXKBHSA-N 449.595 3.026 0 50 IGAA COCC(=O)N1CC(C)(NC(=O)c2cnc(Cc3c(Cl)cccc3Cl)s2)C1 2325829376 IJYAFVSFUYGAJI-UHFFFAOYSA-N 428.341 3.018 0 50 IGAA C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O 602967 XQYASZNUFDVMFH-AWEZNQCLSA-N 434.899 3.081 0 50 IGAA COc1ccc(NC(=S)NC(=O)c2ccccc2I)c(OC)c1 2980844 AZKSSBPVGLIIFV-UHFFFAOYSA-N 442.278 3.435 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)Cc2ccc(O)cc2)CC1 12048984 MOGSMPBLUQFXOM-GOSISDBHSA-N 442.556 3.251 0 50 IGAA COCc1c(C(=O)NCCc2ccncc2)cnn1-c1ncc(C)c(-c2cccs2)n1 12245496 VWTYYQJIYFWHES-UHFFFAOYSA-N 434.525 3.213 0 50 IGAA CN(Cc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12443044 SDTIIBKQQYKQEP-DEOSSOPVSA-N 444.535 3.223 0 50 IGAA CCCC[C@@H](CC(=O)OCC)NC(=O)CCc1nnc(CCc2ccccc2OC)o1 12571973 SITMUQLWCWEFHC-SFHVURJKSA-N 431.533 3.424 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1 14534496 KKTCFTKPQREKFJ-CAPFRKAQSA-N 430.552 3.267 0 50 IGAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)c1cnc2ccccn2c1=O 14963950 BIYFQXABSOAPEC-UHFFFAOYSA-N 432.568 3.420 0 50 IGAA CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 15768659 YCYZBHYMLFUOKP-UHFFFAOYSA-N 444.431 3.287 0 50 IGAA CCCCn1c(CN(C)Cc2ccc3nonc3c2)cnc1S(=O)(=O)CC1CCC1 55036302 VVFHNGZTZUTAQT-UHFFFAOYSA-N 431.562 3.425 0 50 IGAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2ccccc2)CC1 55568654 XSDGFEXWVGCOBZ-IWXKUNQBSA-N 447.579 3.305 0 50 IGAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 225431679 ZWCOJAOWIGNWBE-QGZVFWFLSA-N 431.489 3.273 0 50 IGAA COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)n(CCc2c[nH]c3ccccc23)c(C)cc1=O 409413905 MDQNEFJLCVVVOT-IBGZPJMESA-N 434.496 3.015 0 50 IGAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446084295 UBRHLRKENBLFQM-JVAGSPMVSA-N 441.531 3.151 0 50 IGAA O=C(CCc1cc(O)no1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857705410 GJXHJNOXGQYYPC-HXUWFJFHSA-N 427.545 3.411 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(N)=O)c2ccccc2C)cc1 1152766 NKQNYMQDAYGHAE-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA COCCS(=O)(=O)c1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccccc1 11935623 BEGDIRAJAAGKAI-SFTDATJTSA-N 431.602 3.364 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(OC)cc2OC)C1 12709530 QTFJVLGTCMYZFR-HSZRJFAPSA-N 447.553 3.281 0 50 IGAA CCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)c1ccccc1 13576743 LCBKVJMDADCWJU-PKTZIBPZSA-N 437.517 3.201 0 50 IGAA C[C@@H](c1ccccn1)N(C)C(=O)c1cc(NCc2ccoc2)cc(S(=O)(=O)N(C)C)c1 14753247 HCHPQSRSEMLXMH-INIZCTEOSA-N 442.541 3.370 0 50 IGAA CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccc(OC)cc2)c1=O 14959502 SPZNVPUTGJJYOI-UHFFFAOYSA-N 425.529 3.117 0 50 IGAA COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCC3CCOCC3)c21 14998838 BJBJAFKUYOZTEJ-UHFFFAOYSA-N 442.560 3.358 0 50 IGAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2c(F)ccc(F)c2F)CC1 15079174 OQSZXAGZPHZMSR-KRWDZBQOSA-N 428.495 3.012 0 50 IGAA CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(=O)OC 16382600 NDGSUSDPURJSSJ-LJQANCHMSA-N 425.510 3.303 0 50 IGAA Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 19913644 QALULPBPXAQUPC-GOSISDBHSA-N 446.507 3.342 0 50 IGAA COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N32)cc(OC)c1OC 22204924 BWOSIQYESMFZDR-OXQOHEQNSA-N 437.521 3.267 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(Cl)cc(OC)c3OC)C2)CC1 23360376 UWPBUODAZWTUDR-SFHVURJKSA-N 425.957 3.096 0 50 IGAA Cc1ccc(F)c(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1Br 225623275 YSEAGFAGMXDJBJ-OAHLLOKOSA-N 438.219 3.200 0 50 IGAA Cc1c(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc(F)c1N1C(=O)CNC1=O 225767525 HYFVIMAFQWMRBD-UHFFFAOYSA-N 425.338 3.227 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@@H]45)[C@H]3C2=O)cc1 245254576 AKZGLKJMAMTSDA-SBJIFONGSA-N 444.487 3.346 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(Cl)c2C)C1 1857695912 DUWYPWAJNKNBHB-ZFGGDYGUSA-N 434.024 3.478 0 50 IGAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1 1875320945 OOPLDXMYKWFPEQ-QGZVFWFLSA-N 438.553 3.165 0 50 IGAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC1 1875383464 VRGVHSXHENYENH-DNQXCXABSA-N 434.536 3.006 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)=O)cc3)c(=O)n2[C@@H]1c1ccccc1 1214118 JEOFPBLOGYBSPX-FBHQFGEZSA-N 446.528 3.001 0 50 IGAA Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc(I)c3)nc2n1 2770535 LPYBFGGGGSPUOC-UHFFFAOYSA-N 429.168 3.227 0 50 IGAA COC(=O)c1ccccc1NC(=O)CSc1nc(-c2cc(OC)cc(OC)c2)n[nH]1 6603388 MLRRDJJWOQFIAB-UHFFFAOYSA-N 428.470 3.006 0 50 IGAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2cnn(C(C)C)c2)C1 11844542 DQCJFXVUMCCEJJ-OAQYLSRUSA-N 441.620 3.389 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@@H](C)Cc2cccnc2)c1 11932804 OIGOSKWYMNYFPU-KRWDZBQOSA-N 437.540 3.231 0 50 IGAA O=C1NC(=O)[C@](Cc2ccccc2)(C2CCN(C(=O)CCCc3cccs3)CC2)N1 12244655 UKQXGCKWPZXLDU-QHCPKHFHSA-N 425.554 3.130 0 50 IGAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1C 14997775 IFHNFFCEXNENIK-HXUWFJFHSA-N 448.519 3.286 0 50 IGAA CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cc(C)ccc4OC)CC3)c2c1 20213121 MVOJUZZZHSXHLJ-UHFFFAOYSA-N 449.551 3.429 0 50 IGAA O=C(Nc1cccc(O)c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 100742275 SPCIKAHTGSLSJS-KNQAVFIVSA-N 433.391 3.450 0 50 IGAA COc1cc2nc([C@H]3CC(=O)N(c4ccc(Br)cc4)C3)[nH]c(=O)c2cc1OC 170596414 JSLZDXRARPEWRJ-NSHDSACASA-N 444.285 3.223 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc(C(C)=O)cc6)C(=O)[C@H]54)[C@H]23)cc1 245256749 SGFCGXPPKHOTIJ-FSYJOVACSA-N 430.460 3.072 0 50 IGAA O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCCCCC1 247707056 FUMHCERRUYJJEV-RBUKOAKNSA-N 439.556 3.081 0 50 IGAA CCc1ccc(N(CC)C(=O)CN2C(=O)N[C@@H](c3ccc(OC)cc3)C3=C2COC3=O)cc1 263618135 RKQZBJJKAKSHNA-QHCPKHFHSA-N 449.507 3.188 0 50 IGAA Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1noc2c1CC(C)(C)CC2 1303268443 JSVYPHDNBLBAOM-UHFFFAOYSA-N 441.557 3.262 0 50 IGAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCC(C)(C)N5[O] 1772491706 XFSSIDMMBOJNER-KNYLHFFDSA-N 434.597 3.473 0 50 IGAA COc1ccc2[nH]c(C(=O)N3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)c(C)c2c1 1857700026 JMJJLRHSBDNLEO-VXKWHMMOSA-N 433.508 3.127 0 50 IGAA Cc1cnc(O)n1-c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 1875255551 PBGDAVPCSFNYDB-UHFFFAOYSA-N 430.464 3.231 0 50 IGAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(C(=O)c1cnc3cnn(C)c3c1)CC2 2100473771 YSEPXURJFLLFRA-QHCPKHFHSA-N 429.480 3.168 0 50 IGAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899958 BPCZLBPWRCMEOF-UHFFFAOYSA-N 438.524 3.491 0 50 IGAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)c(OC)cc1OC 1133130 CWQNOEVLYLTPKP-MRXNPFEDSA-N 442.379 3.128 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCCSCc1ccc(C)cc1)S(C)(=O)=O 2982215 QGMSDEQFRGBAMY-UHFFFAOYSA-N 436.599 3.128 0 50 IGAA COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 3008872 UQPJIEPIJCFWDQ-UHFFFAOYSA-N 431.901 3.144 0 50 IGAA CN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 3871507 BQBSHJUQVIWEFM-INIZCTEOSA-N 447.384 3.279 0 50 IGAA in-vivo C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 11995471 RPJMVHHAEIZKAX-QGZVFWFLSA-N 427.552 3.495 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)c2c(C)noc2C)C1 12056184 WHAODFRNXHUIMI-HXUWFJFHSA-N 442.484 3.146 0 50 IGAA COc1ccc(CNCCn2nc(C)cc2C)cc1OC[C@H](O)CN1CCCCCCC1 12453591 WRDNFIDZLHJRPK-HSZRJFAPSA-N 444.620 3.304 0 50 IGAA COC(=O)c1cc(CNC(=O)c2cccc3ccccc23)cc(NC(=O)Cn2cccn2)c1 14885538 NBJUXPKBWQOPEP-UHFFFAOYSA-N 442.475 3.392 0 50 IGAA CCOc1ccc2nc(N3CCC[C@H]3C(=O)NCc3ccc4c(c3)OCO4)nc(C)c2c1 14998275 OXPQPZQENCXKHN-FQEVSTJZSA-N 434.496 3.351 0 50 IGAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 72117855 VGLCGSCPWYCXDU-UHFFFAOYSA-N 429.952 3.156 0 50 IGAA Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)cc1 239105257 IDCGOHWPCVBUIU-CCYUMDCLSA-N 447.531 3.333 0 50 IGAA COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 239309907 HXPJLVBBCSIKNM-YVZLVKDNSA-N 443.455 3.250 0 50 IGAA CCOC(=O)[C@@H](NS(=O)(=O)c1cccs1)c1c(C)nn(Cc2ccccc2)c1C 253417651 XPXWKARJKFZBLZ-IBGZPJMESA-N 433.555 3.192 0 50 IGAA O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 475716553 QSCZMMOGVMUXCH-LJQANCHMSA-N 435.475 3.016 0 50 IGAA CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2nncs2)C1 1875254846 AHISCQBPWGFIFK-GXTWGEPZSA-N 441.513 3.165 0 50 IGAA CCCOc1ccc2[nH]cc(CCNS(=O)(=O)c3cn(C)nc3C(F)(F)F)c2c1 1875316537 YDCOWQNRTOTHDD-UHFFFAOYSA-N 430.452 3.230 0 50 IGAA COC[C@@H]1CN(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)C[C@H]1c1cnn(C)c1 1875333916 PRWJTQWSJPOFRT-XERREHJYSA-N 427.524 3.054 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 2883342 RKGMMDHXCGCHAQ-MRXNPFEDSA-N 434.489 3.042 0 50 IGAA Cc1ccc(C[C@]2(CCC(=O)N3CCN(C(=O)c4cccs4)CC3)CCC(=O)N2)cc1 12190112 RUWWZAKFIJHVFE-XMMPIXPASA-N 439.581 3.013 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2C[C@@H](C)N=C(S)N2)CC1 13595633 IZNXOJBUZYLFRE-MJGOQNOKSA-N 431.602 3.217 0 50 IGAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2nc3ccccc3o2)C[C@@H](C)O1 19642906 SYCOWPMCPYSGEM-GASCZTMLSA-N 439.541 3.418 0 50 IGAA COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC 40391398 VOIWNGJUGQTTGW-UHFFFAOYSA-N 431.427 3.311 0 50 IGAA CCN(CC)CC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55061065 CAOBXIRMXXWLML-FQEVSTJZSA-N 426.527 3.160 0 50 IGAA C[C@@H](CCc1ccccc1)NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252571528 YCNIMDFZAXFRJE-HTAPYJJXSA-N 432.524 3.363 0 50 IGAA Cc1nccn1-c1ccc(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)cc1F 461961860 WEHLXRCJMIVDTB-JOCHJYFZSA-N 426.467 3.149 0 50 IGAA COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@@H]3C2=O)cc1 668118 DQKFZBXGCNIGIL-UBFBPUDLSA-N 425.440 3.331 0 50 IGAA COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 1079313 SPZZEPBULDKLFY-JTQLQIEISA-N 431.297 3.086 0 50 IGAA O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccco1 2875394 GGODBTOYMKOMPO-UHFFFAOYSA-N 426.494 3.116 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)cc1 6498002 IPHVZGJFKRSNCQ-UHFFFAOYSA-N 442.497 3.396 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cn2cc3ccccc3n2)C1 11668153 RAGIJVCOYSSOMW-FQEVSTJZSA-N 433.556 3.151 0 50 IGAA O=C(Cc1ccc(N2CCC(NCCCn3cccn3)CC2)cc1)NCc1ccccc1 14880086 SWKMLWKNHYRVNB-UHFFFAOYSA-N 431.584 3.391 0 50 IGAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 17100715 XFICCAXKMBGRPF-GOSISDBHSA-N 436.599 3.204 0 50 IGAA COc1cc(CN2CCN(C(C)C)CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 23359728 DAWBVHNUWNOIIQ-QHCPKHFHSA-N 433.637 3.225 0 50 IGAA COc1ccccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@H]1C(=O)c1ccc(Cl)cc1 245228755 FBCMKBNRAJGVFT-RVKKMQEKSA-N 428.794 3.453 0 50 IGAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(-c3nc4ccccc4s3)o2)c1O 253623725 IWJLHYFQYYAIGU-JTQLQIEISA-N 439.449 3.156 0 50 IGAA COC(=O)c1cn(C2CCN(Cc3ccc(Br)cc3)CC2)cc2c(=O)[nH]nc1-2 263588195 QHQVRSQSQARBKP-UHFFFAOYSA-N 445.317 3.062 0 50 IGAA CCc1nc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)CS(=O)(=NC(=O)c2ccc(C)nc2)C3)s1 2332238403 QZCBUTKKCFERHV-FBHCPTLDSA-N 446.598 3.118 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 877305 LXIGNJJIUPVARP-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O)c1ccc(Br)cc1 1061782 HIGDXNBDJXZEAH-UHFFFAOYSA-N 449.688 3.492 0 50 IGAA O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 2778101 IGKMBQXHNGXJPK-HNNXBMFYSA-N 433.409 3.474 0 50 IGAA COCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2817153 KXQQJVWLADYVGQ-UHFFFAOYSA-N 431.341 3.341 0 50 IGAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(I)cc1 2879418 KYLMASVAEVZBCZ-UHFFFAOYSA-N 436.249 3.016 0 50 IGAA COCCCn1c(CN(C)Cc2nc(C)cs2)cnc1S(=O)(=O)C1CCCC1 12430296 QFSGOJHBLLZAPH-UHFFFAOYSA-N 426.608 3.033 0 50 IGAA Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1 12442229 ZMCUVDLYRBCZBS-UHFFFAOYSA-N 426.521 3.026 0 50 IGAA C[C@H](C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1C(=O)c2ccccc2C1=O 13661633 FZFWYCAZDDMQEJ-CQSZACIVSA-N 446.334 3.322 0 50 IGAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 14541071 ILNMUMBLDDRUAD-UHFFFAOYSA-N 431.540 3.424 0 50 IGAA O=C1CN(Cc2nc3ccccc3[nH]2)C[C@@H](OCc2cccnc2)CN1Cc1ccccc1 14740362 FCJRCLNTOPFZGJ-JOCHJYFZSA-N 441.535 3.388 0 50 IGAA CCc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4ccnc(SC)n4)c3O2)n(C)n1 14950778 WBLHUOLCCLMHJG-OAHLLOKOSA-N 427.505 3.034 0 50 IGAA COc1cccc(CNC(=O)CCCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 15943030 HSMKCCCRMKFOBF-UHFFFAOYSA-N 445.523 3.304 0 50 IGAA CCOc1ccc(-c2nc3s/c(=C/c4cc(C)c(OC(C)=O)c(C)c4)c(=O)n3n2)cc1 16731395 YAAZZGSKGGSVKS-XDHOZWIPSA-N 435.505 3.307 0 50 IGAA CC(C)Oc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc1CO 39442957 VCUFSWWPZNNJBT-RUZDIDTESA-N 426.601 3.468 0 50 IGAA CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 169775265 FQNJBZZGFCCBMY-FQEVSTJZSA-N 428.508 3.062 0 50 IGAA C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@H](c1ccccc1)N(C)C 170606619 BJDFDRUOCUMSMI-VGOFRKELSA-N 438.553 3.304 0 50 IGAA O=C(NCCNC1CC1)c1cccc(NC(=O)c2ccccc2I)c1 170676839 GYCXLXZDXAKIKW-UHFFFAOYSA-N 449.292 3.025 0 50 IGAA O=C(OCc1ccccc1)N1CCO[C@@H](CS(=O)(=O)N(Cc2ccccc2)C2CC2)C1 240465920 GBJOGQAOESBYEK-JOCHJYFZSA-N 444.553 3.018 0 50 IGAA COc1ccc(CCNC(=O)C[C@H]2N=C(O)N(c3cccc4ccccc34)C2=O)cc1OC 252535658 GNYAEZMPJWTVOG-LJQANCHMSA-N 447.491 3.235 0 50 IGAA CN(C)c1ncccc1COC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 253424297 DBMGYESILHCJLU-UHFFFAOYSA-N 446.301 3.030 0 50 IGAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCCN(c2ccccc2Cl)C1 426021511 NXCVVYKOGDHWGW-DGFYSVAWSA-N 427.976 3.117 0 50 IGAA Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)c1 463774456 IEQURKMCFGSFFC-FQEVSTJZSA-N 438.908 3.419 0 50 IGAA NS(=O)(=O)c1ccc(NCCCCn2cc(Br)cn2)cc1C(F)(F)F 480497325 FPCYFBLMVSNCTO-UHFFFAOYSA-N 441.273 3.204 0 50 IGAA Cc1c(C(=O)OC2CN(C(=O)OC(C)(C)C)C2)sc2nc3n(c(=O)c12)CCCCC3 768335449 DNAWPZYUJDDRML-UHFFFAOYSA-N 433.530 3.269 0 50 IGAA Cc1nnc(Cc2ccc(C(=O)N[C@](C)(CO)Cc3ccc(Br)cc3)cc2)o1 1875362455 FVVZOWZTKNULSY-NRFANRHFSA-N 444.329 3.455 0 50 IGAA Cc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 1127818 IMLACFXAJZIXLY-UHFFFAOYSA-N 444.294 3.004 0 50 IGAA C[C@@]1(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11870804 ZLBWAKVWPYRGBT-NRFANRHFSA-N 433.480 3.389 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)Cc3ccccc3C)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11910616 LEJBZVHQXBKIRJ-OFVILXPXSA-N 441.572 3.046 0 50 IGAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCc2nc(C)cc(C)n2)CC1 12299194 DAOFUJGJHGFUOZ-UHFFFAOYSA-N 430.936 3.109 0 50 IGAA CCOC(=O)C1=C(CNCCc2ccc(OC)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C 12412511 FPXVTPBQHIQXSO-HSZRJFAPSA-N 437.540 3.315 0 50 IGAA CCCC[C@H](CC(=O)OCC)NC(=O)CCc1nnc(CCc2ccccc2OC)o1 12571983 SITMUQLWCWEFHC-GOSISDBHSA-N 431.533 3.424 0 50 IGAA CCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 12709202 BUHIFBZQSWWNOH-JOCHJYFZSA-N 432.561 3.124 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 12836406 LCPOSRVDLJVEKR-INIZCTEOSA-N 435.952 3.318 0 50 IGAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 14537826 CCEPCZDXGJUJHH-UHFFFAOYSA-N 441.915 3.498 0 50 IGAA Cc1ccc(C)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3ccccn3)CC2)c1 14886604 CCTSHORHHXUSSS-QFIPXVFZSA-N 432.568 3.290 0 50 IGAA C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 14992819 ADEBNJGLPDIZDB-QGZVFWFLSA-N 439.510 3.425 0 50 IGAA CSc1ccc2cc(CN(C)Cc3nonc3C)c(=O)n(CCN3CCCC3)c2c1 14995139 CLKOREVSEJUPDT-UHFFFAOYSA-N 427.574 3.143 0 50 IGAA CCOC(=O)[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14996542 NXECJTVYAFQRQE-WMZHIEFXSA-N 432.586 3.324 0 50 IGAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Br 19789387 MXPFZKGBTAPXGI-UHFFFAOYSA-N 439.375 3.273 0 50 IGAA CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nnc(-c2ccc(Cl)cc2)s1 100116399 OPUIFMOEKSUETI-GJZGRUSLSA-N 432.933 3.387 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)c2)cc1 101877663 QLKXHLLJWCBSLE-NOHMWWQBSA-N 445.471 3.437 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1 239009571 AVNCYFMPGGDGIO-JYKFVMEGSA-N 427.456 3.284 0 50 IGAA Fc1ccc(Cc2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@@H]2CCOC2)cc1 240934402 JBVHICYWFFJODQ-WMZOPIPTSA-N 429.521 3.079 0 50 IGAA CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)c1c(C)nn(Cc2ccccc2)c1C 253421730 KXZONGYZWAQQCR-OAQYLSRUSA-N 427.526 3.131 0 50 IGAA CC[C@@H]1CN(CCNC(=O)c2ccc(N3CCCC3=O)cc2)Cc2cc(OC)ccc2O1 299759763 MYLAZRGHIWCJDO-OAQYLSRUSA-N 437.540 3.225 0 50 IGAA C[C@@H]1CN(c2nc3ccccc3nc2N2CCC[C@@H](c3nnc4n3CCC4)C2)C[C@@H](C)O1 301851133 BGGHCYCPZFWMTA-KZNAEPCWSA-N 433.560 3.165 0 50 IGAA CN(C)c1ncc(CN2CC[C@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)n1C 952894660 SZWKTUUNYNWIHX-IBGZPJMESA-N 438.429 3.381 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc3cc(F)ccc3[nH]2)C1 1857684350 KIWAVQMYNIZAPI-RZTXVSJASA-N 442.579 3.136 0 50 IGAA CN(C1CCCCCC1)S(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301127 AYKPTJABGYUICQ-KRWDZBQOSA-N 449.495 3.180 0 50 IGAA COC(=O)N[C@@H](O[C@H](NC(=O)OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 2141105 ZKEBAFLSGLILMK-IMJSIDKUSA-N 426.895 3.108 0 50 IGAA Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)COc1ccccc1 2865895 SFTNQQWBPLVNMR-UHFFFAOYSA-N 438.538 3.362 0 50 IGAA CN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1cc(Cl)ccc1Cl 6174056 GFQXQWLZOGGYQK-UHFFFAOYSA-N 436.405 3.039 0 50 IGAA O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21 8758958 PDEQGDIVWDKNIV-CSHXORCISA-N 428.492 3.491 0 50 IGAA COc1ccc(CN(C)CC2CCOCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 14963142 ZCBMFLOYIAKPJE-XMMPIXPASA-N 442.600 3.425 0 50 IGAA Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19791018 NUKROBUVJJMZBK-NRFANRHFSA-N 426.557 3.405 0 50 IGAA CCCCN(C)c1ncc(Cl)c(C(=O)NCCN2CCN(C)C[C@H]2c2ccccc2)n1 248249240 RNZGTXLSMVLAJY-FQEVSTJZSA-N 445.011 3.085 0 50 IGAA Brc1ccc([C@H](NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1 252510624 AUXAODPUCOYIMH-CUWPLCDZSA-N 435.362 3.458 0 50 IGAA CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1nccn1C 253432735 NGKWFFANBMWTRC-UHFFFAOYSA-N 430.917 3.102 0 50 IGAA Cc1ccc2nc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)[nH]c2c1 465192529 MJMHXLXVQFJNND-KRWDZBQOSA-N 428.439 3.394 0 50 IGAA CC1(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)Cc2ccccc2C1 769288390 ZZYLKXVNELDAHB-AREMUKBSSA-N 427.504 3.281 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)nc(O)c32)c(OC)c1OC 824639887 UVECPSJHRIVCEB-NFAWXSAZSA-N 442.516 3.164 0 50 IGAA O=C(C[C@H]1CCNC1)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952865721 RAQRQGPCEPRQHM-JOCHJYFZSA-N 447.579 3.302 0 50 IGAA C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C(=O)c2ccccc2Cl)CC1 1875341516 WFQKPWLAWFKCRC-CQSZACIVSA-N 438.919 3.442 0 50 IGAA COc1ccc(OC)c(N2C[C@H](C(=O)NCc3cccnc3OC3CCCC3)CC2=O)c1 1875390296 BLJDNBURDFTROB-QGZVFWFLSA-N 439.512 3.090 0 50 IGAA O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)N1CCOCC1 664061 MNOCWGXIMBSSCF-UHFFFAOYSA-N 428.945 3.462 0 50 IGAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(I)c1 1466651 VKCVHDCZIKUHEG-UHFFFAOYSA-N 434.233 3.306 0 50 IGAA COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1nc(C2CC2)cs1)C(F)(F)F 8854924 ZUFDTQKOVNHSTE-KRWDZBQOSA-N 429.420 3.303 0 50 IGAA CN(C[C@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O 12325523 MPVZYEJUIKPGFQ-NTKDMRAZSA-N 440.565 3.363 0 50 IGAA CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)CC1 14963913 QDPAUELEFLIGSA-GOSISDBHSA-N 425.533 3.144 0 50 IGAA CCN(CC)C(=O)c1cn(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nn1 14990207 ODHDEVJLHOWDSL-UHFFFAOYSA-N 429.952 3.309 0 50 IGAA COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)c(OC)cc1Cl 16650127 OYYARWAISLTYPT-UHFFFAOYSA-N 430.935 3.456 0 50 IGAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 19644970 INOGNAOBZREAQB-GNNGFNCTSA-N 446.569 3.175 0 50 IGAA C[C@@H]1CN(C(=O)CCn2c(S)nnc2-c2cccs2)C[C@H]1NC(=O)OC(C)(C)C 225500356 CFGHSBKHRVOWGI-CHWSQXEVSA-N 437.591 3.057 0 50 IGAA CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 252675009 SPJNGIVXGIAFSN-XJUOHMSHSA-N 442.581 3.441 0 50 IGAA O=C1CCCN1CC[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)c2ccccc21 751220674 KUZQFATYRXSASS-SFHVURJKSA-N 436.537 3.177 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1Cl 813656 ZYJCISSAVWBFDA-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 1109789 NPPNXHKTMRRLDP-UHFFFAOYSA-N 430.570 3.338 0 50 IGAA CCOc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)cc1 8831463 WBDSCLCOIRFDGR-UHFFFAOYSA-N 439.522 3.489 0 50 IGAA CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(C(=O)Cc2nonc2C)CC1 11842052 NCNISRLOJONFAX-UHFFFAOYSA-N 439.434 3.354 0 50 IGAA COc1cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc(OC)c1OC 12418513 KOSKGHOLUUHASS-UHFFFAOYSA-N 426.300 3.377 0 50 IGAA COc1ccc(CNCCn2nc(C)cc2C)cc1OC[C@@H](O)CN1CCCCCCC1 12453589 WRDNFIDZLHJRPK-QHCPKHFHSA-N 444.620 3.304 0 50 IGAA Cc1c(C(=O)NCCc2cccs2)sc2ncnc(NCCCN3CCCC3=O)c12 12470100 MBUIQJUTXBEFKL-UHFFFAOYSA-N 443.598 3.458 0 50 IGAA Cc1ncsc1CCC(=O)N1CC(=O)N(C(C)C)C[C@H](OCc2ccc(F)cc2)C1 14537316 BRHOWWSFHZOODD-LJQANCHMSA-N 433.549 3.188 0 50 IGAA CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1cnn(-c3ccccc3OC)c1)CC2 14747418 BGKUUJYRJADHRN-UHFFFAOYSA-N 437.544 3.468 0 50 IGAA Cc1nc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)cs1 14754541 YJMVSIKZSLQVBQ-HXUWFJFHSA-N 435.597 3.373 0 50 IGAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)CCc2ccccn2)c1=O 15000309 BBKHGPIJQHEBEZ-UHFFFAOYSA-N 438.572 3.449 0 50 IGAA COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 16116052 UCBWOFROUWUNKO-UHFFFAOYSA-N 431.341 3.127 0 50 IGAA CC[C@H]1COC(C)(C)CN1C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301868 UHVIIRMXKPTCQN-XJKSGUPXSA-N 429.439 3.290 0 50 IGAA Cc1ccccc1C(=O)N[C@@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl 808676 AFCMACVHVWBXKM-OAHLLOKOSA-N 436.748 3.181 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1/C=C/c1ccccc1 2259108 BLVSWUWCNBIIJC-GMOYVINFSA-N 430.529 3.463 0 50 IGAA COc1ccc(Cc2cnc(NC(=O)CSc3nnnn3-c3ccccc3)s2)cc1 2884832 XHIGLXAMZICLGZ-UHFFFAOYSA-N 438.538 3.449 0 50 IGAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C 11842150 OZXJDWDCIYVEHE-UHFFFAOYSA-N 436.560 3.450 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 12283715 JHBSBNRVBMTBIR-WNUHPYAWSA-N 437.588 3.090 0 50 IGAA CCOc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 12411911 PRPHQHCFQAWNAG-UHFFFAOYSA-N 444.491 3.202 0 50 IGAA Cc1cccc(-n2cc(CN3CCN(CC(=O)N(C)C)CC3)c(-c3cccc(F)c3)n2)c1 19220310 VDSPBOIQJQTZJY-UHFFFAOYSA-N 435.547 3.193 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 19854039 GPLXWZWNPFWYPL-UHFFFAOYSA-N 441.475 3.170 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)cc2)cc1 100901769 DKCRLGKADKVTAO-RMVZNSSTSA-N 445.471 3.437 0 50 IGAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 101888462 OLEKGDMNLXAXMY-MBZVMHRFSA-N 429.881 3.419 0 50 IGAA CCc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169758011 SDMWNYWUQYBKSM-HXUWFJFHSA-N 425.872 3.418 0 50 IGAA CCC(=O)N1CCc2cc(C(=O)NC[C@H](c3cccs3)N3CCO[C@@H](C)C3)ccc21 229853144 KWDBWEPBSAIOJV-OXJNMPFZSA-N 427.570 3.239 0 50 IGAA CS(=O)(=O)c1ccc(C2(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)CCCCC2)cc1 1704280056 MZCFTGQMGKCUSC-KNQAVFIVSA-N 442.581 3.061 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(F)cc2Cl)C1 1857699786 YGKOHSNJMPPJIA-QMHWCDLVSA-N 437.987 3.308 0 50 IGAA Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCC[C@@H](Cc2nnc3ccccn23)C1 1875261313 FZJMCAMEJAWJTE-IBGZPJMESA-N 444.539 3.009 0 50 IGAA CC(C)(CC(=O)O)NC(=O)c1cccc(Br)c1I 2325726073 XPIDXKMREDOYNH-UHFFFAOYSA-N 426.048 3.037 0 50 IGAA COc1ccccc1N1C[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CC1=O 2356149437 ZXZVZKPDJDVJJN-MRXNPFEDSA-N 426.538 3.200 0 50 IGAA CCn1c(COc2ccccc2OC)nnc1SCC(=O)NCCc1ccccc1 2859601 SRVFIYWJJBPPEH-UHFFFAOYSA-N 426.542 3.337 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 4918851 IMIYYZWNILVWSC-FUHWJXTLSA-N 429.590 3.323 0 50 IGAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 11783123 XBYVXOOZYCDXFS-GOSISDBHSA-N 445.567 3.121 0 50 IGAA CC(C)CC[C@@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 12051648 ZCSCWWKGUNMBGR-DEOSSOPVSA-N 426.561 3.347 0 50 IGAA COc1ccc(OC)c(CC(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c1 12184954 IAGJAAMWHFFHBL-NRFANRHFSA-N 433.508 3.440 0 50 IGAA Cn1cnnc1Sc1ccc(CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 12442145 ORONMJNMAGDYNC-HNNXBMFYSA-N 426.498 3.383 0 50 IGAA CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 12650716 YCEDAYOSZHFTQX-UHFFFAOYSA-N 431.739 3.039 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cc(C)c(O)c(C)c2)CC1 12716147 KOCHNTDKTMOFCD-UHFFFAOYSA-N 442.556 3.437 0 50 IGAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)c2cc(-c3ccccc3)no2)CC1=O 14531608 BXXPKCAHRUSDDX-OAQYLSRUSA-N 448.523 3.262 0 50 IGAA CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1[nH]c(CC)nc1C)CC2 14538708 ZAENSFPJYPIBJK-UHFFFAOYSA-N 436.560 3.240 0 50 IGAA CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 14978653 UAPVMAUUAIGUTI-FQEVSTJZSA-N 449.551 3.183 0 50 IGAA COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCCOC(C)C)C4)c1 20271056 OSBRCJZHSGHIEI-KRWDZBQOSA-N 427.570 3.387 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@H]2C[C@H](C)NC(=S)N2)CC1 207799886 WZHOEBUFBUBVBR-AZUAARDMSA-N 445.629 3.196 0 50 IGAA OC[C@@H]1CCCN1c1cc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)ncn1 225413739 APLVRJOYADCOGV-SJCJKPOMSA-N 427.307 3.462 0 50 IGAA Cc1c(Br)ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239128717 KQYQYKJUYMLGLF-ATVPTECVSA-N 443.341 3.446 0 50 IGAA Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)ccc2O)cc1 239203170 RWIIKWYKURVVGS-QDUSEVNMSA-N 445.471 3.440 0 50 IGAA CO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(C(=O)CCC(C)=O)CC2 299764268 ZANHQCDJDRGYRV-FTJBHMTQSA-N 448.563 3.345 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1)OCc1ccccc1 752629918 FLMAVBIDLAIESO-XZOQPEGZSA-N 447.539 3.054 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCN4C(=O)OC[C@H]4C3)c12 764136948 UNRHEGSWYKFYJV-CQSZACIVSA-N 446.385 3.494 0 50 IGAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)C1 1857706907 BDDWNDLVUAURRD-INIZCTEOSA-N 425.554 3.030 0 50 IGAA O=C(CCc1ccccc1C(=O)O)N[C@@]12CC[C@@H](C[C@H]1n1cc(-c3cncs3)nn1)C2 1875325487 ZFGJZRMHNNURDI-BPSNYSSFSA-N 437.525 3.333 0 50 IGAA Cn1c(CN2C(=O)CCN(C[C@@H](Cc3ccccc3)C3CC3)C2=O)nc2ccccc2c1=O 1875329494 ZDTMNECCVXOAQA-HXUWFJFHSA-N 444.535 3.357 0 50 IGAA Cc1cc(C2CC2)ccc1NC(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901682 TWNSIYKKKKDQHD-FQEVSTJZSA-N 432.480 3.277 0 50 IGAA COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)ccc1OCC(=O)O 2977818 JPGNJVSHOVCPPV-SFHVURJKSA-N 426.454 3.236 0 50 IGAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)O 2979447 PGGDSWPAHBIBQR-UHFFFAOYSA-N 428.441 3.358 0 50 IGAA CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 2981948 NCGHTRFOAMCXJY-UHFFFAOYSA-N 425.348 3.359 0 50 IGAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)n(C)n1 11842589 KVGKHIGFJNKGOC-OAQYLSRUSA-N 428.552 3.401 0 50 IGAA COc1ccc(-c2noc(CNC(=O)c3cccc(I)c3)n2)cc1 12654491 OXXZADAAGXFJKL-UHFFFAOYSA-N 435.221 3.280 0 50 IGAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC(=O)OCc2ccccc2)cc1 13511647 HNFUQPOELBAXLJ-XQNSMLJCSA-N 444.487 3.326 0 50 IGAA COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(C)=O)c3)ccc2=O)cc1Cl 16648151 ASOFAWWWQITUTD-UHFFFAOYSA-N 440.887 3.478 0 50 IGAA CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1 20602057 SFUCKBXSUXIKTG-UHFFFAOYSA-N 435.571 3.415 0 50 IGAA COc1ccc2cc(NC(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)ccc2n1 170620636 KPTMTELUZZYQJP-MOPGFXCFSA-N 425.485 3.164 0 50 IGAA Cc1ccc(C(C)(C)CNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 491502759 TWFWCMMYLGTXQT-UHFFFAOYSA-N 444.601 3.030 0 50 IGAA Cc1nc(-c2cccc(CNC(=O)Nc3ccc(OCc4nnc(C)n4C)cc3)c2)n[nH]1 2325708150 XYELHOSRPNHPOC-UHFFFAOYSA-N 432.488 3.118 0 50 IGAA COc1ccc(-c2cncnc2)cc1[C@@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4 2325760858 LNERWNQDROUOMZ-OAQYLSRUSA-N 443.467 3.160 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2cc(Cl)ccc2F)CC1 2356151594 PCZKTEKQFLUODR-UHFFFAOYSA-N 432.927 3.291 0 50 IGAA COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 869686 YSUGTINQUGPNIO-UHFFFAOYSA-N 428.304 3.134 0 50 IGAA COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1 11816555 YFEFPUDSEDOFMR-UHFFFAOYSA-N 426.538 3.249 0 50 IGAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12574780 IBPCBSRTSXPYPK-XMMPIXPASA-N 438.478 3.330 0 50 IGAA COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)c3cccc(F)c3)CC2=O)c1 14540055 LDTUUNDODHSIFZ-QFIPXVFZSA-N 426.488 3.114 0 50 IGAA CCOc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cc1CO 23153455 POMYCZMADNMCIQ-DEOSSOPVSA-N 442.600 3.272 0 50 IGAA CN(C)C(=O)N1CCC(C(=O)OCc2c(F)c(F)c(Br)c(F)c2F)CC1 225691815 CHMMLSBHPMZMBC-UHFFFAOYSA-N 441.219 3.442 0 50 IGAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 742640011 JUGZLRQJWZSTGI-DLBZAZTESA-N 445.589 3.118 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc3[nH]c(C)cc3c2)C1 1857684778 CUMCWRINXPBNFZ-MVERNJQCSA-N 438.616 3.305 0 50 IGAA CCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 1857797693 NHPWURKVUAVCJK-XMMPIXPASA-N 432.568 3.340 0 50 IGAA Cc1ccc(-n2nc(C(=O)OCc3cc(O)nc4[nH]c(=N)ccc34)c3c2CCC3)c(F)c1 1875252250 VMBKFAXGMMFPGQ-UHFFFAOYSA-N 433.443 3.227 0 50 IGAA C[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CCN1C(=O)c1ccc(CO)o1 2325829873 UXWXVDNDUSQQDN-QWHCGFSZSA-N 441.311 3.219 0 50 IGAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc(Br)c1O 725546 IXEPRGVRSDMYPQ-OAHLLOKOSA-N 427.295 3.381 0 50 IGAA Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc(Br)ccc1O 2886481 CEQONOKPJZDHII-UHFFFAOYSA-N 433.331 3.359 0 50 IGAA CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NCCc5ccccc5)cnc4c3cc2CO1 9543294 CNVZMEAFOLNQRD-UHFFFAOYSA-N 448.548 3.216 0 50 IGAA COCCCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 9934893 SSVUSJGBUSIBQL-UHFFFAOYSA-N 434.602 3.073 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)O1)C1CCCCC1 11973690 GDAHOYRITYENFR-FQEVSTJZSA-N 442.556 3.308 0 50 IGAA COc1ccc(CC(=O)Nc2ccc(N3CCC(NCC(C)(C)CO)CC3)cc2)cc1 12456424 JNBRVJJFCJGFRR-UHFFFAOYSA-N 425.573 3.453 0 50 IGAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(Cc2cccn2-c2cccnc2)CC1=O 14540148 AVJSNLPKFPAMQY-DEOSSOPVSA-N 433.556 3.153 0 50 IGAA COc1cc(NC(=O)c2cc(NCC3CC3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1 14748671 KIJWSRJTUJGCNL-UHFFFAOYSA-N 433.530 3.028 0 50 IGAA O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 170636928 APMUCYVWBNBHRP-XKDXWZMYSA-N 436.911 3.433 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239439983 ZZTQHWCRWRIIJJ-UIQAKXLFSA-N 429.314 3.138 0 50 IGAA CN(Cc1ccon1)C(=O)c1cc(NC(=O)[C@H]2CCCO2)c2c(c1)nc(C1CCC1)n2C 299771029 RCYYADGLYOABKP-LJQANCHMSA-N 437.500 3.219 0 50 IGAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)c1=O 824396348 JJUSAXYNPBPNLR-MRXNPFEDSA-N 443.418 3.492 0 50 IGAA CC(C)OCCONC(=O)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952895350 ZZMWRUHVVZPMGG-GOSISDBHSA-N 446.401 3.448 0 50 IGAA O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cccn2)c(F)c1 1321565535 CNEXTQDUGOWSHN-OAQYLSRUSA-N 428.895 3.468 0 50 IGAA Cc1c(NC(=O)CN2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cnn1C 1857705867 YXHRQTAQYIINKY-QFIPXVFZSA-N 439.604 3.239 0 50 IGAA CN(CC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)S(=O)(=O)c1cccs1 1875265411 DHYBFSHYEOJGLW-UHFFFAOYSA-N 444.460 3.212 0 50 IGAA COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)OCc2ccnnc2)c1 1875336029 QJGJSPHNTZXPJE-UHFFFAOYSA-N 433.873 3.296 0 50 IGAA O=C(Nc1ccc(C(=O)N[C@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(Cl)c1)NC1CC1 2325898458 DCWUYIIPJAIWML-QAPCUYQASA-N 429.860 3.058 0 50 IGAA CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 1139418 REGMYXFZKADARJ-UHFFFAOYSA-N 430.313 3.357 0 50 IGAA Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 2602887 HSIJWYOCJSUVKN-UHFFFAOYSA-N 435.556 3.082 0 50 IGAA CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)C(C)C)CC2 11784224 YSMKGQLKSDAFNP-RPWUZVMVSA-N 436.552 3.468 0 50 IGAA COc1ccccc1CC(=O)Nc1cnn(CC(=O)N[C@@H](c2ccco2)C(F)(F)F)c1 12450654 FPEBLEPQXMFMSF-IBGZPJMESA-N 436.390 3.086 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 20209174 VEKIIDFLXAIXRA-QHCPKHFHSA-N 439.604 3.010 0 50 IGAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 82230408 KTUIEMQNBSGHDU-UHFFFAOYSA-N 443.495 3.185 0 50 IGAA CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](CO)CC(C)C)cc2)cc1 225429972 ZXHWECQOGOZEBQ-QGZVFWFLSA-N 434.558 3.271 0 50 IGAA O=C(Oc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239174481 QCGPCNACJMKCBD-HXWZHSPTSA-N 431.463 3.396 0 50 IGAA CC(C)Cn1c([C@@H](C)NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 888089216 OTYIKVMNNMDJOM-UZLBHIALSA-N 447.539 3.400 0 50 IGAA O=C(CCCn1cccn1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857699352 SAAUNXLEWLCMDS-QFIPXVFZSA-N 438.572 3.288 0 50 IGAA COc1cc(OC)cc([C@]2(F)CCN(S(=O)(=O)c3cc(C(=O)O)cc(C)c3F)C2)c1 1875391755 LKIIKKXYBRSFQV-FQEVSTJZSA-N 441.452 3.109 0 50 IGAA CCc1nc(C)c(C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3nc(C)oc3C)CC2)s1 2332239132 XVXLPQCSISLFOC-GDLZYMKVSA-N 438.575 3.162 0 50 IGAA CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCNS(=O)(=O)c1ccc(C)cc1 627307 ZLBMFFFPTKKCHO-UHFFFAOYSA-N 429.494 3.246 0 50 IGAA NC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1410928 CMPQLEYGKBSMBS-UHFFFAOYSA-N 449.960 3.401 0 50 IGAA CC(=O)c1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 2873845 GDNNSCGQJJICBQ-UHFFFAOYSA-N 439.331 3.365 0 50 IGAA CC(=O)N1c2ccccc2[C@@H](N(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc2)C[C@@H]1C 8992422 MUSCRCXPABTKBL-UUOWRZLLSA-N 448.567 3.103 0 50 IGAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)c1 12613131 YNDFRBHZJYTITP-IBGZPJMESA-N 426.561 3.303 0 50 IGAA COc1cc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)ccc1OCc1ccccc1 13809988 FLEXCZRJLDDULV-KGENOOAVSA-N 442.500 3.348 0 50 IGAA Cc1noc(C)c1CC(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14542308 UECQQEAFWDCESB-QFIPXVFZSA-N 439.556 3.423 0 50 IGAA O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cc2ccccc2s1 14976757 VZROYHWVELBPQJ-CTNGQTDRSA-N 432.553 3.062 0 50 IGAA O=C(/C=C/c1cccs1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 15002109 USDBZXNLKWPOAZ-YJJPMGAVSA-N 436.581 3.134 0 50 IGAA COc1ccc(-c2noc(CN(C)Cc3n[nH]c4c3CCCCC4)n2)c(OC)c1OC 20600419 YCXPSEXVCAQEET-UHFFFAOYSA-N 427.505 3.386 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 33326771 JHUMHNAWEUDUNG-UHFFFAOYSA-N 430.940 3.401 0 50 IGAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cc(F)ccc1Cl 169752473 FEXZUKLUIVIUKU-UHFFFAOYSA-N 444.825 3.226 0 50 IGAA CC(C)N(CCOCCNC(=O)[C@@H](C)Oc1ccccc1)C(=O)[C@H](C)Oc1ccccc1 170607631 BXGDCTBPTQFFJZ-RTWAWAEBSA-N 442.556 3.291 0 50 IGAA Cc1nc2sc([C@H](c3ccc(C)o3)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)n2n1 252538104 MRFLHXDCJBJUFU-DOXZYTNZSA-N 437.525 3.077 0 50 IGAA CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 253387880 HSYSSKFCQHXOBP-MXVIHJGJSA-N 440.592 3.298 0 50 IGAA in-vitro C[C@H](Cc1ccccc1Br)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 477211526 TYKQOOCAHIPJAI-CQSZACIVSA-N 437.359 3.379 0 50 IGAA O=C1[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)CCN1c1cccc(OC(F)(F)F)c1 497484243 WAWFMOLLGQMQIL-BRWVUGGUSA-N 427.423 3.044 0 50 IGAA COc1cc(OC)cc([C@@H](O)CNC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 778329034 SCXTWIOGOHCJCM-GTNSWQLSSA-N 429.439 3.033 0 50 IGAA CN1CCN(CCOc2ccccc2CN2CCCN(Cc3cccs3)CC2)CC1 952973847 POZMRXYJCDZXPX-UHFFFAOYSA-N 428.646 3.082 0 50 IGAA Cc1cc(C)nc(C(=O)N2CCC3(CC2)CC(NC(=O)c2c(C)nn(C)c2Cl)C3)c1 1875326197 LKYAHSOJEZRWPM-UHFFFAOYSA-N 429.952 3.209 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O 2325819670 MLNYUHDOCVBFHP-XNGJBWTFSA-N 446.491 3.163 0 50 IGAA COc1cc2nccc(N3[C@H]4CC[C@H]3CC(N3CCCCS3(=O)=O)C4)c2cc1OC 2325840224 UPXSYOQUAKLTEY-HOTGVXAUSA-N 431.558 3.177 0 50 IGAA COC(=O)c1cc(NC(=O)c2ccc(I)cc2)cc(C(=O)OC)c1 1219707 BVQGMJUQPDXEQX-UHFFFAOYSA-N 439.205 3.117 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccccc1Cl 2056091 ANENLLUJFMXJCE-XGHXRCDJSA-N 442.899 3.201 0 50 IGAA CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nccs2)n1C 2835794 CTHYHHKEZHSLAV-OAHLLOKOSA-N 430.559 3.130 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)CC1 6545910 XQIBGYAENYUVGJ-UHFFFAOYSA-N 436.390 3.423 0 50 IGAA COc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)c(OC)c1 14986160 JFJNOVFNOMDBKV-UHFFFAOYSA-N 442.541 3.034 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cc(F)ccc2F)C4)cn1 20598232 OHUXHHQVMOYVEG-MRXNPFEDSA-N 441.507 3.165 0 50 IGAA COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCC(=O)NC(=O)NCC(F)(F)F 170656149 CBLQYQXEVLGGOG-ZDUSSCGKSA-N 429.361 3.103 0 50 IGAA Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1 230816037 NMFIXEFNQPDISY-ZDUSSCGKSA-N 441.513 3.017 0 50 IGAA in-vitro C[C@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239403112 RMZSELYIZSDYMH-XFWRZKRASA-N 449.732 3.483 0 50 IGAA O=C1CCc2cc(NC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)ccc2N1 468763684 AKRDWUZIMORFOI-IBGZPJMESA-N 428.439 3.162 0 50 IGAA COC(=O)C[C@H](c1ccc(F)cc1Cl)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089435 CFMUBVJNBXHPOO-MRXNPFEDSA-N 433.867 3.316 0 50 IGAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1875371525 DRVABWNNLJZOFX-QUCCMNQESA-N 443.544 3.358 0 50 IGAA O=S1(=O)NC(CN2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)=Nc2ccccc21 2325862516 WXXLRCWPKFNLEJ-HXUWFJFHSA-N 427.917 3.033 0 50 IGAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(I)cc1 1121411 BTCPYZVOXYDXNT-UHFFFAOYSA-N 441.221 3.347 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccncc2)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1 4149972 NWYZPJMQVXAAQP-UHFFFAOYSA-N 449.529 3.463 0 50 IGAA COC(=O)c1cc(CNC(=O)Cc2cscn2)cc(NC(=O)c2ccccc2OC)c1 11812849 TWNHIAJAQCSQGW-UHFFFAOYSA-N 439.493 3.050 0 50 IGAA CC[C@@H](O)CNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1S[C@H](c1ccccn1)C2 11909717 BJCSAWSZXUIOHD-ZHRRBRCNSA-N 435.549 3.431 0 50 IGAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1 12837016 JCSHTHVEUQSIBX-CYBMUJFWSA-N 427.810 3.037 0 50 IGAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 13483809 KFQHZSHCUPUYLP-MSOLQXFVSA-N 441.553 3.241 0 50 IGAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccncc1)CC2 14732472 MMRDPYGZVIFVPI-UHFFFAOYSA-N 435.572 3.364 0 50 IGAA Cc1ccc(NC(=O)c2cc(N3C(=O)CCC3=O)ccc2N2CCOCC2)cc1Cl 15857120 RNVOAQOKHPKAQK-UHFFFAOYSA-N 427.888 3.391 0 50 IGAA CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)c(C(=O)NC2CCCC2)n1 239073289 GWOLHPRCLHZMIN-STEAMIEHSA-N 428.533 3.207 0 50 IGAA Cc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239308799 GZFWBGIJYFEBSI-HSGSIZQLSA-N 429.314 3.139 0 50 IGAA CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 253425750 DCWVMSPYAJXCGG-LJQANCHMSA-N 426.561 3.254 0 50 IGAA NC(=O)CCNC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 483852800 JCBQIUUDEQBTBQ-UHFFFAOYSA-N 442.928 3.250 0 50 IGAA O=C(NCCC1=CCNCC1)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952893731 OHEUTMULHXEVID-FQEVSTJZSA-N 435.450 3.262 0 50 IGAA Cc1cc(CC(C)(C)NC(=O)c2coc(CS(C)(=O)=O)n2)ccc1Br 1450562850 WJOZDICJERNDLB-UHFFFAOYSA-N 429.336 3.041 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)CC1 1875362992 JQGLECBTHFORRU-FQEVSTJZSA-N 445.535 3.371 0 50 IGAA COc1nc(Br)ccc1NC(=O)C(=O)NCc1noc(-c2ccccc2)c1C 2325818919 FUWARGBRUCHZQX-UHFFFAOYSA-N 445.273 3.071 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)CCCC3 653074 SECOBUHEJPBJEB-UHFFFAOYSA-N 445.854 3.435 0 50 IGAA Cc1nnc(SCCNC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)nn2)s1 11843431 AGLRVFVKVYUDKH-UHFFFAOYSA-N 428.465 3.027 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCC(OCc3cccnc3)CC2)CN1CCCc1ccccc1 11933146 JRGYXIVHEAJQPF-HSZRJFAPSA-N 435.568 3.461 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc(OC)nc2OC)C1 12709360 CMJADYOCOMRZPR-HSZRJFAPSA-N 448.466 3.405 0 50 IGAA Cc1cnc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)cn1 14950860 DXWCORMUZJPQJZ-GOSISDBHSA-N 431.565 3.446 0 50 IGAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)ccc1C 16651736 JRQRJKPLCVAKHN-UHFFFAOYSA-N 426.423 3.484 0 50 IGAA Cc1ccc(C)c(-n2cc(CN3CCN(CC(=O)N(C)C)CC3)c(-c3ccccc3)n2)c1 20992632 WCKHLJRVYHLKGC-UHFFFAOYSA-N 431.584 3.362 0 50 IGAA O=C(CC1=CCCCC1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23357980 VYAKLMLQTXBCCO-JOCHJYFZSA-N 425.573 3.414 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2cc(C)ccc2C)CN1Cc1ccccc1Cl 32577801 QZUIDWOFTUDEIJ-GMAHTHKFSA-N 429.992 3.452 0 50 IGAA CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)c1noc2c1CCCC2 225614893 LYQDYFPESWLQBX-UHFFFAOYSA-N 428.489 3.060 0 50 IGAA COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 257499976 OBSYBRPAKCASQB-FIKSMVHISA-N 432.469 3.000 0 50 IGAA in-vitro Cn1c(=O)oc2cc(S(=O)(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)ccc21 328593925 ATGKLUUOKGXLBI-CYBMUJFWSA-N 445.522 3.116 0 50 IGAA CC[C@H](c1ccc(OC)c(OC)c1)N1C(=O)[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N=C1O 328594789 BPUJWOWQMKPIKK-VGOFRKELSA-N 446.525 3.230 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCCc1nc(O)c2ccccc2n1 409413442 IDLBWXARRNAEEO-DENIHFKCSA-N 440.588 3.398 0 50 IGAA biogenic O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 495141911 RGHAZLAHUWGJJD-MHIYTZGMSA-N 440.547 3.334 0 50 IGAA CC(C)Cn1cnnc1[C@H]1CCCN1C(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 1875259760 PGMFTGQPNBRWBC-OAHLLOKOSA-N 440.573 3.429 0 50 IGAA C[C@H](C(=O)N=[S@]1(=O)CCCN(C(=O)c2c3ccccc3nn2C)CC1)c1ccsc1 2332238632 GADMFPRVGALNBJ-JGVYIQDASA-N 444.582 3.279 0 50 IGAA COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(O)cc1[C@H](NC(=O)C(F)(F)F)CC2 2540804 GZXFPMJSKAABTM-CYBMUJFWSA-N 439.386 3.111 0 50 IGAA in-vitro O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nc1 2752623 ICCURSVWOJYHSQ-UHFFFAOYSA-N 433.420 3.129 0 50 IGAA COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 2852510 QPEGPUMJMUDGRR-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)N[C@H](C)C(=O)O)cc1 2982485 JXMBVQRCLNQJBK-VVBXCHJUSA-N 431.286 3.118 0 50 IGAA Cc1ccc(C)c(-n2cc(CN(CCO)[C@H]3CCS(=O)(=O)C3)c(-c3ccccc3)n2)c1 11754235 SFIBZFJMWMCMSW-QFIPXVFZSA-N 439.581 3.138 0 50 IGAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1 11933170 BRGLWYZWUWUETA-UHFFFAOYSA-N 434.540 3.273 0 50 IGAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCc2cccc(C(F)(F)F)c2)nn1C 12149359 QPQXOIRINKJTMS-QGZVFWFLSA-N 434.462 3.306 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 12283719 JHBSBNRVBMTBIR-VKMGYPPFSA-N 437.588 3.090 0 50 IGAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccnc1)CC2 14539410 XVHDKJPKUVXIMY-UHFFFAOYSA-N 435.572 3.364 0 50 IGAA CN1CCC[C@@H](CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1 14975870 SYBZYCPQGBJLOL-GOSISDBHSA-N 444.620 3.296 0 50 IGAA COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1OC 16227369 GJTGUAOQMOMTGS-UHFFFAOYSA-N 440.521 3.477 0 50 IGAA COCCn1c(C)cc(=O)c(C(=O)NCCc2nc3ccccc3[nH]2)c1CC1CCCC1 19742461 MXCLSCHQTGBJHC-UHFFFAOYSA-N 436.556 3.385 0 50 IGAA Cc1nc2cc(OCc3cc(C(=O)NCc4cn5c(n4)SCC5)no3)ccc2s1 20869703 UZYFCAWBZAZDMP-UHFFFAOYSA-N 427.511 3.404 0 50 IGAA O=c1c(CN[C@@H]2CN3CCC2CC3)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 23358859 UTOZCJYVBHAJTG-OAQYLSRUSA-N 435.499 3.101 0 50 IGAA COc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 169754442 AIBPJJGOQYZFRA-UHFFFAOYSA-N 432.436 3.372 0 50 IGAA COc1ccc(CN2C=C(C(=O)OCc3ccccc3Cl)C(C)=NS2(=O)=O)cc1 169755169 OLRKZIUNMCSQQI-UHFFFAOYSA-N 434.901 3.497 0 50 IGAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ncnn3C(C)(C)C)cc2)cc1C 225723024 VGGJVSYOVVQUEY-UHFFFAOYSA-N 441.557 3.381 0 50 IGAA C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 254074527 CIBBPLMBWXKCDP-LFNNRJBISA-N 434.485 3.116 0 50 IGAA biogenic Cc1ccc(-c2nn3ccn(Cc4nc(Cc5cccc(F)c5)no4)c(=O)c3c2CO)cc1 263619597 ZMKAGYRHKSXPDZ-UHFFFAOYSA-N 445.454 3.125 0 50 IGAA CC1(C)C(=O)Nc2ccc(C(=O)CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)cc21 763239476 AATYLJAVAFEQJY-RUZDIDTESA-N 431.492 3.273 0 50 IGAA C[C@H](NC(=O)COC(=O)/C=C/c1ccc(I)o1)[C@H]1C[C@H]2CC[C@H]1C2 788931473 DPMJJXCODOLJED-DBPBCFAGSA-N 443.281 3.382 0 50 IGAA Cc1cc(=O)c(C(=O)N2CC[C@@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)c[nH]1 952895301 ZLEJZEAVBSUIKH-LJQANCHMSA-N 436.365 3.219 0 50 IGAA Cc1nc(C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)nn1-c1c(Cl)cccc1Cl 1775988992 XWEDEOFPRQATIM-SJLPKXTDSA-N 438.359 3.241 0 50 IGAA Cc1csc(NC(=O)CNC(=O)Cc2c(-c3ccccc3)oc3c(=O)cc(C)oc23)n1 1776111686 LIYJUFBHWGDFAI-UHFFFAOYSA-N 437.477 3.424 0 50 IGAA CC(C)N1C(=O)N[C@]2(CCN(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)C2)C1=O 1875311458 ZSTQOAPYQSNHGV-INIZCTEOSA-N 434.802 3.175 0 50 IGAA O=C(N=c1[nH]nc(C2CCOCC2)s1)NC[C@@H](CCO)c1ccc(C(F)(F)F)cc1 1875320106 GYJUQVUFYMEOHS-CQSZACIVSA-N 444.479 3.161 0 50 IGAA Cc1nc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)c2ccc4nnn(O)c4c2)C3)c2ccsc2n1 1875358905 MZWJSUYXKWEGOL-CSMYWGQOSA-N 435.513 3.087 0 50 IGAA COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CC[C@@H](C)C2 1772340 XOILTBYMWVTOIB-GFCCVEGCSA-N 443.554 3.366 0 50 IGAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2881332 PRCHXPHSYJZVAN-UHFFFAOYSA-N 441.534 3.040 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)C1 4034886 RLDKEIYHOUZXKJ-MRXNPFEDSA-N 444.528 3.090 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1 11878649 OMZLLMVFBKXGGR-AWEZNQCLSA-N 427.423 3.115 0 50 IGAA Cc1c(C(=O)N2CCC(CO)CC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 12079727 KXMSFSACVXRPAK-UHFFFAOYSA-N 440.525 3.185 0 50 IGAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3cc4ccccc4[nH]3)CC2)cc1 12152092 ANJYUUXWVMJPOT-UHFFFAOYSA-N 427.574 3.145 0 50 IGAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)Cc3ccc4c(c3)OCO4)C1)CC2 12443352 ZJBMIWLHJCURJM-HXUWFJFHSA-N 438.524 3.024 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12468281 HNKNQVCKVLXJRU-OAQYLSRUSA-N 437.540 3.406 0 50 IGAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 12709881 LKHHYFKNZADSLE-INIZCTEOSA-N 439.965 3.453 0 50 IGAA COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)c3cccc(F)c3)CC2=O)c1 14540054 LDTUUNDODHSIFZ-JOCHJYFZSA-N 426.488 3.114 0 50 IGAA O=C(CCc1cn2ccccc2n1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 15073661 ZJLNOFAXTKXFOF-OAQYLSRUSA-N 435.547 3.219 0 50 IGAA O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(I)cc1 16400915 AOOVRXGTCNMJQT-UHFFFAOYSA-N 440.262 3.189 0 50 IGAA COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCCN3CCOCC3)c2c1 20259474 RXDIJVWCVTXLQL-UHFFFAOYSA-N 449.507 3.091 0 50 IGAA O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 169772793 UTRDNOPSLXRYRQ-MRXNPFEDSA-N 428.496 3.198 0 50 IGAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4C[C@H](C)C[C@@H](C)[C@H]43)C2=O)cc1 248120457 DTGAJXXDKPSZGA-PMATZYIGSA-N 433.508 3.372 0 50 IGAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N[C@@H]2CCOC(C)(C)C2)c1 299779858 PXJOESXBJBJYAV-GOSISDBHSA-N 431.577 3.427 0 50 IGAA c1ccc(CCn2cnnc2CNCc2ccccc2OCCCCN2CCOCC2)cc1 952959793 IEXRDRHGXCADHT-UHFFFAOYSA-N 449.599 3.302 0 50 IGAA CNC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2Cc1nn(C)c2cccc(Cl)c12 1704304215 LKKIKWDBZPGWDJ-IBZMOEQTSA-N 429.977 3.395 0 50 IGAA CN1CC[C@@H](Sc2ccccc2NCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1=O 1875259341 SYSTVIWPGAOHQH-PZJWPPBQSA-N 443.544 3.161 0 50 IGAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)c1 1072921 SUIUQIATKJHWOB-UHFFFAOYSA-N 425.510 3.194 0 50 IGAA COc1ccc(C)cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 1099347 QOKAFUZMZYHIOO-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA CC(C)(C)c1nnc2sc(SCC(=O)c3ccc(OC(F)F)cc3)nn2c1=O 1440116 QDPBXBMJWBLWJX-UHFFFAOYSA-N 426.470 3.420 0 50 IGAA O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1nc2c(s1)CCCC2 3004924 CPKIPOZPHWXUSG-UHFFFAOYSA-N 428.539 3.132 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN([C@@H](C)Cn3nc(C)cc3C)CC2)c(Cl)c1 12051924 QZGCTLFZWSPYJV-SFHVURJKSA-N 448.995 3.461 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1)N1CCN(c2ccccn2)CC1 12439482 MNIAFHSDNFBXJV-FQEVSTJZSA-N 438.547 3.131 0 50 IGAA COc1cc(CO[C@H]2CN(Cc3ccc(O)cc3)CC(=O)N(C(C)C)C2)cc(OC)c1 14537455 SKCCDFMFQWNZDH-QHCPKHFHSA-N 428.529 3.047 0 50 IGAA O=C(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cncs1 20295100 FAJIHWNJFXHYPU-UHFFFAOYSA-N 437.569 3.059 0 50 IGAA CCCN(CC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H](OCC)C12CCCCC2 242048042 VSGCUWIAUWVTGD-QHAWAJNXSA-N 442.666 3.252 0 50 IGAA Cc1cc(C[C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(O)nn3C)n(-c2ccccc2)n1 448520460 NKKRIOWPEKAKIV-CQSZACIVSA-N 430.512 3.406 0 50 IGAA CCOC[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)C1 477615679 KJEHSZUTMOIFAX-KRWDZBQOSA-N 432.542 3.385 0 50 IGAA C[C@@H](NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(F)c1 1323226478 TVNDILDDDDPUPL-IUODEOHRSA-N 435.883 3.164 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(F)c(F)cc2Cl)cc1OC 1529189842 ALBWDEOLPNNHDO-RTBURBONSA-N 427.831 3.210 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CN1Cc1ccccn1 1704337345 VGELKSQCTCLUNP-GOSISDBHSA-N 444.535 3.002 0 50 IGAA CS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)CCCCC2)cc1 1704347493 MZCFTGQMGKCUSC-DENIHFKCSA-N 442.581 3.061 0 50 IGAA CN1CCN(c2ccc(F)cc2NC(=O)NCc2ccn(-c3c(F)cccc3F)n2)CC1 2325706812 OZERHQCBPDKXOT-UHFFFAOYSA-N 444.461 3.363 0 50 IGAA O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccco1 622047 IHKLQGVGMCNMCE-UHFFFAOYSA-N 434.521 3.369 0 50 IGAA CCOc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 835353 WKMUIFFVYPOGAP-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 1773810 WPNULENMRGIZLC-UHFFFAOYSA-N 426.498 3.384 0 50 IGAA COc1ccc(CN(C)CCn2ccnc2C)cc1OC[C@@H](O)CN1CCCCCCC1 11936340 GCQFQRDQDSXDCB-QHCPKHFHSA-N 444.620 3.338 0 50 IGAA CC[C@@H](C)CN1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(CCCN(C)C)C2=O)CC1 11997435 STADMWLPXZBUGI-KBMIEXCESA-N 446.611 3.369 0 50 IGAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 12313972 UWWUHOBFWUJTLN-AWEZNQCLSA-N 449.491 3.397 0 50 IGAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cc1n[nH]c2ccccc12 12445505 CTBSGMIAJUJMKH-HXUWFJFHSA-N 446.595 3.460 0 50 IGAA O=C(Nc1ccnn1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)[C@@H]1CCOC1 12592319 KZRHCIXTYXXLJQ-LAHWMRIESA-N 426.561 3.238 0 50 IGAA Cc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)s1 12717453 VBETUWJOWXUHJZ-UHFFFAOYSA-N 429.586 3.374 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCCC[C@@H]2C)c1 14995649 AMSSSMWLVMYROW-SFHVURJKSA-N 431.577 3.352 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1 15068766 LVCKYZUBUVJRJK-IBGZPJMESA-N 444.620 3.438 0 50 IGAA O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCNCC1)c1ccc(Cl)cc1 19811281 IRCARNCHRGIKND-FGZHOGPDSA-N 427.957 3.473 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccccc4C)CC3)c2c1 20177549 MBHXQDJEKBQHNV-UHFFFAOYSA-N 435.524 3.256 0 50 IGAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4Cl)n3)c(C)n2)CC1 36235726 OGEZYFXVAXLKMW-UHFFFAOYSA-N 425.924 3.074 0 50 IGAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1 43119863 NOESCTQIRDAMOK-XMMPIXPASA-N 439.648 3.435 0 50 IGAA C[C@H]1OC[C@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)N=C(N)SC[C@H]12 144617885 AACUJFVOHGRMTR-DPXNYUHVSA-N 437.447 3.097 0 50 IGAA O=C(OCc1ccc(Br)cc1COC(=O)C1CCOCC1)C1CCOCC1 252483092 DUUPDHFAAGEUDN-UHFFFAOYSA-N 441.318 3.389 0 50 IGAA O=C(CC[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1 252510235 ZFFJXCZDBKPSHO-ROUUACIJSA-N 447.413 3.113 0 50 IGAA O=C(N[C@H]1CCCN(c2ncccn2)C1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 481258471 PDAQGUNISFPXBC-RXVVDRJESA-N 449.477 3.165 0 50 IGAA O=C(CCc1cnccn1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857699596 VKDXBTDEIOMPGE-QFIPXVFZSA-N 436.556 3.034 0 50 IGAA CC1(C)[C@@H]2CC[C@@]1(C(=O)NCC[C@@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)C(=O)C2 1875287850 CMNCGOUIJKDMPW-RKPUJPDHSA-N 444.539 3.490 0 50 IGAA O=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1875329888 ILFXWQXRXVKSQN-YPMHNXCESA-N 435.368 3.461 0 50 IGAA O=C(Cc1cccnc1)N1CCC[C@@H]([C@H]2CCN(C(=O)C3=Cc4cc(F)ccc4OC3)C2)C1 1875360168 AKFURJBSFCSSRU-UXHICEINSA-N 449.526 3.326 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)c(OC)c2)c(OC)c1 909795 CLYAIVBYVLQUQA-FQEVSTJZSA-N 443.525 3.153 0 50 IGAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 1141775 PXSQBJPMDWJDEZ-AWEZNQCLSA-N 437.949 3.273 0 50 IGAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C)cc2C)CC3)CC1 12124998 UHKFQVZUIXMCMN-NRFANRHFSA-N 441.572 3.283 0 50 IGAA CC[C@H](O)CNC(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 12212466 KMYQGMGTOSPDNA-HNNXBMFYSA-N 444.557 3.172 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN([C@@H](C)CCn3cccn3)CC2)c(Cl)c1 12711329 GVVVCBVFBFVWOW-KRWDZBQOSA-N 434.968 3.235 0 50 IGAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)C1 13949249 JWQFVHYTQHSGEP-ZIAGYGMSSA-N 444.525 3.432 0 50 IGAA CCCCc1c(O)nc(S[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)[nH]c1=O 17860900 LAISOKDJISYFCZ-ZDUSSCGKSA-N 425.869 3.035 0 50 IGAA CCOc1ccc(CN2CCN(CC3=Cc4cccc(OC)c4OC3)C[C@@H]2CCO)cc1 19228959 OBZIOJVEIQNUJV-QHCPKHFHSA-N 438.568 3.439 0 50 IGAA CCn1c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nc2cc(Br)ccc21 225533653 ABVSSPRPNNYQBC-UHFFFAOYSA-N 449.334 3.210 0 50 IGAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 252484353 FURURAHPWCAHSB-LJQANCHMSA-N 441.915 3.260 0 50 IGAA Cn1nnc2cc(CNc3ccccc3N3CCN(CCc4ccncc4)CC3)ccc21 482815826 XVWDTHUIFYDMNZ-UHFFFAOYSA-N 427.556 3.340 0 50 IGAA CCCc1nccn1[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3CCC)C2)C1 2325816896 MYACNQUAMAMJSN-PMACEKPBSA-N 440.592 3.012 0 50 IGAA CC(C)c1nn(C)c(Cl)c1C(=O)N(C)CCN(C)C(=O)c1occc1Br 2325827989 VWGIAJZRCMLIAS-UHFFFAOYSA-N 445.745 3.397 0 50 IGAA CC(C)C[C@H]1CC=CCNCCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@H](CNC1=O)C2 2325894036 OXGRLSBJNYMMSG-MQSCRBSSSA-N 429.580 3.476 0 50 IGAA CO[C@@H]1CCC[C@H]1C(=O)N=[S@@]1(=O)CCCN(C(=O)CCCc2cccs2)CC1 2332238493 AUCZPSRGTBCGER-JAGNJQOISA-N 426.604 3.113 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1C 4195586 FEHLQZMZYAYVJJ-UHFFFAOYSA-N 448.541 3.060 0 50 IGAA O=C(Cc1cscn1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 11790580 FCLYSPPCQBHOGY-UHFFFAOYSA-N 448.592 3.429 0 50 IGAA CC(=O)Nc1ccc(CN2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)cc1 11908832 IZRDKLINGFJEIT-SANMLTNESA-N 448.567 3.458 0 50 IGAA C[C@@H](Cc1cccnc1)N1CCC2(CC1)C[C@@H]2C(=O)NCCc1nc2ccccc2n1C 12151132 BJHGOCISGGDAHP-PZJWPPBQSA-N 431.584 3.360 0 50 IGAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)c1 12442165 SDPIXPFWGOIFGS-GOSISDBHSA-N 438.524 3.302 0 50 IGAA CCOC(=O)C1CCN(C2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)CC1 12712149 VDMMKDULPYXMOZ-UHFFFAOYSA-N 430.524 3.039 0 50 IGAA CCC(CC)CN1CCC(O)(c2ccc3oc(C(=O)NC[C@H]4COCCO4)cc3c2)CC1 14965424 VRQWAPUCXJWTCJ-NRFANRHFSA-N 444.572 3.298 0 50 IGAA COc1cc(CNCCCn2ccnc2C)ccc1OC[C@H](O)CN(C)C1CCCCC1 23338119 GGQDMHINLMTDCD-HSZRJFAPSA-N 444.620 3.384 0 50 IGAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@@H]2CCCO2)c2ncc(N[C@H](C)CCO)cc12 104499012 VNNMFHVMLQWTLF-UXLLHSPISA-N 446.548 3.169 0 50 IGAA CO[C@]1(C)CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Cl)cc2)CC1 225435895 COTQRASSALSRJL-IEBWSBKVSA-N 449.038 3.158 0 50 IGAA O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 230006093 DVWBRQOWUFFCAP-ZLGUVYLKSA-N 430.460 3.101 0 50 IGAA CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(NC(N)=O)cc2)c2ccc(F)cc2)c1 464215258 BHHQRMYJXHUIRG-FQEVSTJZSA-N 441.484 3.239 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2nn(C)c3cccc(Cl)c23)cc1OC 1529171718 AFADASZYPUMTTK-IFMALSPDSA-N 431.920 3.178 0 50 IGAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc3cc[nH]c13)C2 1857693120 IUMGUFURGIFTPX-OTNCWRBYSA-N 425.573 3.424 0 50 IGAA Cc1c(C(=O)N2C[C@H]3[C@@H](NC(=O)c4cnc(Cl)s4)CC[C@H]3C2)sc2nccn12 2325876132 LHGJRJUXCZLWEL-TUAOUCFPSA-N 435.962 3.095 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 871673 JWCHRPMABBPIQX-FUHWJXTLSA-N 433.302 3.468 0 50 IGAA COC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OC)c2c(=O)cc(-c3ccccc3)oc2c1 2139186 NASAJDYEYOWSPU-KBPBESRZSA-N 426.421 3.341 0 50 IGAA biogenic Cc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1 2170034 UTZHUDHDOLKTCA-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(C)cc2)C3)n(C)n1 11790254 SRRISPOAOBUVSR-UHFFFAOYSA-N 431.540 3.123 0 50 IGAA COc1ccccc1OCC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 11972344 PMYREDUEEFBIOE-FQEVSTJZSA-N 444.572 3.311 0 50 IGAA CN1[C@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@H](c2ccc(F)cc2)NS1(=O)=O 12159436 MQSXZKAMGDKFRW-CVEARBPZSA-N 431.411 3.063 0 50 IGAA COc1cccc(C[C@@]2(C3CCN(Cc4ccccc4F)CC3)NC(=O)N(C)C2=O)c1 12212610 KEYYDZYLXPVHLI-DEOSSOPVSA-N 425.504 3.209 0 50 IGAA COc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)cc1 12413983 NPRIZDGJHSBWPG-UHFFFAOYSA-N 447.340 3.061 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@@H]2CCO)CC1 22919748 FKCXPGHXYBVJSZ-QFIPXVFZSA-N 446.039 3.267 0 50 IGAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@H]21 239165331 NYLNQVOLDRBZLL-RVLCIERPSA-N 444.487 3.347 0 50 IGAA Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 245380922 UVHMNXQAXTXGDM-RXVVDRJESA-N 436.599 3.369 0 50 IGAA CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCNC(=O)c3ccc(O)cc3)c12 436683988 WZXMZZYXZTZLLG-UHFFFAOYSA-N 434.452 3.301 0 50 IGAA O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCN(C[C@@H]2CCOC2)CC1 488793622 CJCPMPQEJRLAIZ-AWEZNQCLSA-N 437.327 3.370 0 50 IGAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cccc(N2Cc3ccccc3C2)c1 670448934 GNLVGUNLLWIXNI-RUZDIDTESA-N 428.536 3.405 0 50 IGAA O=S(=O)(c1ccc(F)cc1F)N1CCC(c2nc(-c3ccc4cc[nH]c4n3)no2)CC1 1875365704 QGOZEASBNBOQMQ-UHFFFAOYSA-N 445.451 3.459 0 50 IGAA COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2c(Cl)c(C)nn2C)cc1 696097 QMOOBLMLNRDTQE-UHFFFAOYSA-N 434.905 3.444 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)Cc2ccc(C)cn2)CC1 12307580 OTHVXEXIAAMAPV-IBGZPJMESA-N 441.572 3.249 0 50 IGAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@H](c2ccco2)C(F)(F)F)c1=O 12452831 YKTQSOPIFFEORT-QGZVFWFLSA-N 425.407 3.340 0 50 IGAA Cc1cnc(-c2cccnc2)nc1[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 14957388 WOQSMMRVEBHMCF-GOSISDBHSA-N 429.480 3.161 0 50 IGAA COc1ccc(Cc2nc3c4c(C)c(C)n(CCCN5CCOCC5)c4ncn3n2)cc1 20622978 VUFJWTRREIRYDI-UHFFFAOYSA-N 434.544 3.018 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)N3CCCCC3=O)c2)cc1F 170607775 CIBCVYVMHZMUCD-MRXNPFEDSA-N 447.532 3.066 0 50 IGAA Cc1c(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)sc2nc3n(c(=O)c12)CCCCC3 473421969 SOAKOVQTFOHFLZ-CYBMUJFWSA-N 427.530 3.362 0 50 IGAA COc1ccc(Cn2nnc(-c3nc(Cn4cncn4)nn3[C@@H]3CCC[C@H](C)C3)c2C)cc1 1875349510 ZXUBUBISLHYQCJ-QFBILLFUSA-N 447.547 3.293 0 50 IGAA CCc1cc2c(c(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)c3cc(CC)cc4c3OCC4)c1)OCC2 2325816919 RGMNTZDFXQLYRM-SFTDATJTSA-N 446.547 3.420 0 50 IGAA CCc1ccc(C(=O)N[C@H]2CCCCN(C(=O)[C@H]3CCC(=O)N(CC)C3)C2)cc1Cl 2325864638 URYAPDBUZISTJD-OALUTQOASA-N 433.980 3.272 0 50 IGAA CCOc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 821551 MQFBMHNKWTXHFU-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA NC(=O)c1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 1749984 ZFDFDAZBSJUYAF-UHFFFAOYSA-N 425.510 3.131 0 50 IGAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1OC 14752713 RHSXQABXPMGPHE-HXUWFJFHSA-N 448.567 3.298 0 50 IGAA C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101732963 KVCGNHWBXWQDEU-SRLMGOEHSA-N 425.710 3.461 0 50 IGAA Cc1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(OCc2ccccc2)c1 170591923 NSUBUJFNZRISNW-CVDCTZTESA-N 444.553 3.432 0 50 IGAA O=C(NCCn1c(=O)oc2ccccc21)N1CCO[C@@H](c2ccccc2Br)C1 170622286 PFRWGAVLAIGRSZ-GOSISDBHSA-N 446.301 3.140 0 50 IGAA Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 225642007 XKISZTWRCUFEMA-QHCPKHFHSA-N 444.601 3.209 0 50 IGAA CCc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239339250 LXAMYYDSLADNDR-GOGCMXNUSA-N 443.341 3.392 0 50 IGAA COc1cccc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1OC 245247586 WRLHXFGGVWLSCS-QWQRMKEZSA-N 444.431 3.211 0 50 IGAA COC(=O)C[C@@](C)(NC(=O)Nc1cccc(I)c1)c1ccncc1 252503743 VGKNZENOBCXXTK-QGZVFWFLSA-N 439.253 3.286 0 50 IGAA O=C(CC[C@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1 252510233 ZFFJXCZDBKPSHO-MSOLQXFVSA-N 447.413 3.113 0 50 IGAA Cc1cc(-c2ccc(S(=O)(=O)N3C[C@@H]4CNC[C@]4(CCc4ccccc4)C3)o2)on1 1772710094 OGMCUJUZQJGHCM-PGRDOPGGSA-N 427.526 3.086 0 50 IGAA O=C(C1CCNCC1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857707174 HHFXVRZUQBELHK-QFIPXVFZSA-N 427.589 3.001 0 50 IGAA C[C@H](NC(=O)[C@H]1Cc2ccccc2N(C)C1=O)c1cn(-c2ccc(Cl)cc2F)nn1 1875340555 IBCBUGFPGFQKGH-SWLSCSKDSA-N 427.867 3.072 0 50 IGAA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 2325888949 VVLLMHNQLGMVFR-MRXNPFEDSA-N 449.326 3.222 0 50 IGAA CCCC(=O)N=S1(=O)CCC2(CC1)C[C@@H](NC(=O)c1cn(C(C)C)nc1C)CCO2 2332238302 KLWLSJCKBUHJSU-WQLICWGASA-N 438.594 3.009 0 50 IGAA COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1[C@@H](C(=O)OC)CC2 622581 RXBQFCNATYIGEF-NSHDSACASA-N 449.481 3.016 0 50 IGAA Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)c1 1129090 PMGAKUYYMGLPGC-UHFFFAOYSA-N 427.505 3.232 0 50 IGAA COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 1158172 LSLPSAMPRMOECN-UHFFFAOYSA-N 425.504 3.035 0 50 IGAA COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl 2682848 NQGITEXOGZPSNZ-ZDUSSCGKSA-N 426.753 3.228 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11783112 IGSQZIGDOCHDAM-HTAPYJJXSA-N 433.574 3.178 0 50 IGAA O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 11874071 DDAGQUFLMWDHNU-GOSISDBHSA-N 428.558 3.405 0 50 IGAA C[C@H](NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)c1nccs1 12021349 UBQBKWOGFPQACX-LBPRGKRZSA-N 443.978 3.090 0 50 IGAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 12709875 LKHHYFKNZADSLE-MRXNPFEDSA-N 439.965 3.453 0 50 IGAA O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccc(F)cc1 13451740 WQWQAWAJQCJLTK-UHFFFAOYSA-N 432.455 3.451 0 50 IGAA CO[C@@H](c1ccc2c(c1)CN(C(=O)C[C@H]1SC(=O)NC1=O)CCO2)C1CCCCC1 14995396 UQFYTKWJSGXSHF-UYAOXDASSA-N 432.542 3.417 0 50 IGAA COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)cc1OC 170624012 KGYYVGJLJVXYHZ-QFIPXVFZSA-N 434.496 3.201 0 50 IGAA CN(C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@@H](CO)Cc1ccccc1 1310276480 OAUUQCDTJGDDSB-NHCUHLMSSA-N 426.517 3.054 0 50 IGAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(OC)c1 1119629 LVGHDDJKLIKTJO-UHFFFAOYSA-N 443.504 3.107 0 50 IGAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 4199420 ZCHBCMZMOAGBSG-AWEZNQCLSA-N 432.567 3.105 0 50 IGAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)C1 8682674 WXSRQGYBCDFLLC-HZPDHXFCSA-N 431.583 3.480 0 50 IGAA CC(C)[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)O 11767257 FOWRIOVPQVITMR-FQEVSTJZSA-N 431.483 3.491 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C2)N1 12054052 INCLQQLFJFQTEX-SFHVURJKSA-N 431.414 3.121 0 50 IGAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CCCC1=O 12439074 SJTXNCOGRUXVNS-UHFFFAOYSA-N 425.495 3.041 0 50 IGAA NC(=O)[C@@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1 12446059 REALEDYSCJEWKP-MRXNPFEDSA-N 431.968 3.091 0 50 IGAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12572491 HDFJAYVBABHPPC-FQEVSTJZSA-N 432.565 3.023 0 50 IGAA COc1ccc(-c2ccnc(SCC(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)n2)cc1 13642555 OLRANQCEZDIROC-KRWDZBQOSA-N 426.420 3.103 0 50 IGAA C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2)c1ccccc1 14744190 YYGJPWLVHFYCFN-GOSISDBHSA-N 443.551 3.406 0 50 IGAA COC(=O)[C@@H]1C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CN1Cc1ccc(O)cc1 15072245 BDBLZXMECBSQSF-VWNXMTODSA-N 444.531 3.456 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1ccc(Cl)cc1 20599889 YXIOPLUHODQDEL-UWJYYQICSA-N 437.918 3.114 0 50 IGAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 32476153 LOXHYEMNCBBPFA-FGGAIWKESA-N 441.512 3.467 0 50 IGAA O=C(COc1ccccc1)Nc1cnn(C[C@@H]2CCCCN2C(=O)COc2ccccc2)c1 170611339 SCDGDTNNFBFLEH-NRFANRHFSA-N 448.523 3.361 0 50 IGAA CCn1c(=O)c2ccccc2n2c(CN[C@@H](CN(C)Cc3ccccc3)C(C)C)nnc12 225408043 MOWWBXSMUYFCCQ-NRFANRHFSA-N 432.572 3.310 0 50 IGAA COc1ccc(C(=O)N2[C@H](CC(=O)Nc3ccccc3C)C(=O)N[C@@H]3CCCC[C@H]32)cc1 239358371 NDZHAQDFOVTZMA-YPAWHYETSA-N 435.524 3.284 0 50 IGAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 252079442 FFGBLSPSVYZOAE-FPCVCCKLSA-N 430.592 3.143 0 50 IGAA CC1(C)C(=O)Nc2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21 481810647 PVNDKBATQQTKGA-KRWDZBQOSA-N 447.413 3.128 0 50 IGAA COc1ccc(C(=O)N2CCC(C(=O)N(C)[C@@H]3CC(C)(C)OC3=O)CC2)c2ccccc12 817075609 WJVMHZDBEJDBSR-HXUWFJFHSA-N 438.524 3.253 0 50 IGAA O=C(Cc1ccc(O)nc1)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952892204 FNANWJIWBAQTSY-LJQANCHMSA-N 436.365 3.251 0 50 IGAA O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1)N1CCc2ccccc2CC1 1875258946 SWRIVKLZHYUSPO-VWLOTQADSA-N 446.572 3.430 0 50 IGAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(F)(F)c2cnc(O)nc2O)cc1Cl 1875264839 ATEMFEJBDYFPAC-SNVBAGLBSA-N 440.834 3.286 0 50 IGAA CC(C)([C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1)N1CCCC1 1875350514 QCQQTYZQFRTNPI-OAQYLSRUSA-N 440.498 3.419 0 50 IGAA Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)N[C@@H](C)C(=O)O)cc1 2982483 JXMBVQRCLNQJBK-HNEYUBDGSA-N 431.286 3.118 0 50 IGAA CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 14749970 QHAVAXLZYYJTDG-QGZVFWFLSA-N 436.512 3.144 0 50 IGAA O=C(c1ccccc1N1CCCC1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 15073534 SZOYAWYMPQMIOD-KRWDZBQOSA-N 433.599 3.179 0 50 IGAA CCCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)Cc3ccccc3)c2)CC1 23358146 XRUHQADZOBHKCD-DEOSSOPVSA-N 441.616 3.095 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5cc[nH]c5c4)ccn3n2)c1 169777098 HIBXZXHZIQLQLO-UHFFFAOYSA-N 427.464 3.083 0 50 IGAA CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc(Br)c3c(c1)OCCO3)CCO2 225492722 WATXYCSUBJKTRT-UHFFFAOYSA-N 448.269 3.436 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCC(C)C)cc1 248252982 QMVTZHKRYFLFKP-GECPAALWSA-N 434.529 3.133 0 50 IGAA biogenic Cc1csc([C@@](O)(CC(=O)N2CCC(c3nncn3C(C)C)CC2)C(F)(F)F)n1 731852084 BCZBLBAWEWDKHO-KRWDZBQOSA-N 431.484 3.170 0 50 IGAA CNC(=O)c1ccc(S(=O)(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 1506422307 RPJLKODOVXJXSF-HSZRJFAPSA-N 430.570 3.242 0 50 IGAA O=C([C@@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 1775976852 QPUFHTVSZXMPTH-DJIMGWMZSA-N 438.343 3.362 0 50 IGAA COc1cc(Cl)cc2cc(C(=O)N3CC[C@H]4[C@@H](C3)CN4Cc3cccnc3N)oc12 1775976925 CCWSIGAWBWJTQP-RDJZCZTQSA-N 426.904 3.419 0 50 IGAA CO[C@H](CC(C)C)C(=O)N1CCC([S@@](C)(=O)=NC(=O)[C@H]2CCc3ccccc3C2)CC1 2332238687 HUNNLLXAZRJFMQ-GYWHWRDRSA-N 448.629 3.468 0 50 IGAA COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(Cl)c3)n2C)c1 1119634 ALAHWNPIFNIEPR-UHFFFAOYSA-N 445.932 3.138 0 50 IGAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 2813830 HOENSUFVVGOWJT-UHFFFAOYSA-N 426.513 3.376 0 50 IGAA COCCCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C1CC1 11880558 MJYIPBOCFZWLQT-UHFFFAOYSA-N 433.512 3.080 0 50 IGAA COc1ccc(CNCc2c(OC)cccc2OC)cc1OC[C@H](O)CN(C)C(C)C 12111699 IEWJXBNEYDEXIQ-LJQANCHMSA-N 432.561 3.082 0 50 IGAA COCCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N(C)Cc4ccccc4)C3)c2C1=O 12242828 VXZOMIYEOGOZDO-HXUWFJFHSA-N 449.551 3.194 0 50 IGAA CCN1C(=O)C[C@@](CC(=O)N(C)C[C@H]2CCCCO2)(c2cccc(C(F)(F)F)c2)C1=O 14953494 BXAOBPRRDZRVID-UTKZUKDTSA-N 440.462 3.140 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC2CC2)nn1 14991195 JYPQBQOQLXEMEW-LJQANCHMSA-N 448.527 3.219 0 50 IGAA Cc1c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c(=O)n(-c2ccccc2)n1C 19838687 ARPPWFFZPZVPDS-VWLOTQADSA-N 445.611 3.271 0 50 IGAA O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2cccc(Cl)c2)CC1 35686420 DGMRSDRMRRRCIY-UHFFFAOYSA-N 428.945 3.159 0 50 IGAA Cc1c(C(=O)CC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[n+](=O)c2ccccc2n1O 138310704 NWBLSLNPPDKFKZ-UHFFFAOYSA-O 435.243 3.189 0 50 IGAA Cc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5ccc(Cl)cc5)C4)no3)cc2c(=O)[nH]1 169768878 DHTBXKITSSMQAW-CQSZACIVSA-N 438.875 3.054 0 50 IGAA CC(C)n1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c2ccccc2c1=O 225461505 AAGNYGIHPKZWRN-QAPCUYQASA-N 428.533 3.353 0 50 IGAA CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCCC(=O)O)[C@H](c2ccccc2F)C1 225516910 KVXUZHUGJVAQSR-IBGZPJMESA-N 447.488 3.130 0 50 IGAA Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 606301428 BMWMKGNVAMXXCH-UHFFFAOYSA-N 435.532 3.248 0 50 IGAA NC(=O)[C@@]1(c2ccccc2)CCN(Cc2nc(-c3ccc(Br)s3)no2)C1 1460252650 ZWUZULXTWFCSQT-SFHVURJKSA-N 433.331 3.190 0 50 IGAA CS(=O)(=O)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 1875390820 PZJDMOJQRCBFPH-UHFFFAOYSA-N 440.912 3.489 0 50 IGAA C[C@@H](OC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)c1ccc2c(c1)CCC(=O)N2 2325747538 TUQMFPZPYAFATO-CQSZACIVSA-N 434.423 3.290 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C(N)O1 850162 PKYLHUDYXMUJFB-VWLOTQADSA-N 448.475 3.046 0 50 IGAA biogenic COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1OC 899765 GCBOLRUONPKPTF-UHFFFAOYSA-N 440.521 3.004 0 50 IGAA COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 1077713 GSFORJWMRRDPGF-CQSZACIVSA-N 425.514 3.046 0 50 IGAA CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1 4122565 WTLWFOOQHAWZGI-UHFFFAOYSA-N 433.375 3.328 0 50 IGAA CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 9559808 UVQKFTQERRIKQC-CQSZACIVSA-N 431.485 3.455 0 50 IGAA COc1cccc(CN2C[C@H](C(=O)N3CCC(OCc4ccccn4)CC3)CCC2=O)c1 12318361 KALQKPHVMKZKJN-HXUWFJFHSA-N 437.540 3.037 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(OC)cc2OC)C1 12709535 QTFJVLGTCMYZFR-QHCPKHFHSA-N 447.553 3.281 0 50 IGAA C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 13471025 WAZJBJXJSXYLOL-OAGGEKHMSA-N 436.505 3.030 0 50 IGAA Cn1cc(CN2C[C@H](OCc3cccnc3)CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2=O)cn1 14542581 WZABRRALEBBZSG-VXNXHJTFSA-N 449.599 3.037 0 50 IGAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)[C@@H]3CC=CCC3)CC2=O)cc1 14749829 XRZIKHZTBZOZCG-VWNXMTODSA-N 449.551 3.203 0 50 IGAA CCN(CC)CCNC(=O)c1c(COC)n(CCc2cccc(Cl)c2)c(C)cc1=O 14965530 RVXGUMNZGOZNHA-UHFFFAOYSA-N 433.980 3.271 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 19857230 ATUHLVJOYZSVGC-FQEVSTJZSA-N 432.948 3.422 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ccc(C)c(Cl)c2)CC1 19999725 HTRWPPIEGNTWJF-HXUWFJFHSA-N 432.948 3.422 0 50 IGAA CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@]2(CC=CCC2)C1 170626821 DZGPBUQWZHGSAO-XXBNENTESA-N 429.586 3.489 0 50 IGAA CC(C)ON1C(=O)[C@@H]2[C@H]3O[C@H]([C@@H]4[C@@H]3[C@@]3(Cl)C[C@@]4(Cl)C(Cl)=C3Cl)[C@@H]2C1=O 216191406 BLWMJVQUOBWFHN-DUEFNVCQSA-N 427.111 3.003 0 50 IGAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(C[C@@H](C)c1ccccc1)CC2 299762812 BHDHFHSRNQOFFY-LJQANCHMSA-N 447.535 3.271 0 50 IGAA O=C(Cn1c(S)nc2ccccc2c1=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 746687552 HKVOUUJDJKHBSO-INIZCTEOSA-N 431.464 3.480 0 50 IGAA CC(C)=CC[C@]1(C(=O)NCc2nc(O)n[nH]2)C[C@H]2CC[C@@H]1N2Cc1ccnc2ccccc12 1704313918 SGXHOIPPTNFGKX-QLWBXOBMSA-N 446.555 3.454 0 50 IGAA O=C(NC[C@H]1CC2(CCC2)CN1C(=O)c1ccc2nn[nH]c2c1)c1cc2cccnc2s1 1875360241 CFXQMSZDAUKFNB-MRXNPFEDSA-N 446.536 3.382 0 50 IGAA O=C(N[C@@H]1CCCC12CN(c1nc(-c3cccnc3)nc3ccccc13)C2)c1ncccn1 2332239584 SCQMGVANLCTJPY-HXUWFJFHSA-N 437.507 3.271 0 50 IGAA COC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1125222 UIBVNPZDLCUXRV-UHFFFAOYSA-N 428.444 3.451 0 50 IGAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccsc1)CC2 14543042 ZBASOSSHNRFWMG-UHFFFAOYSA-N 427.570 3.236 0 50 IGAA CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 14616103 BPZZWRPHVVDAPT-PXAZEXFGSA-N 431.872 3.051 0 50 IGAA endogenous,in-man CCc1ccc(CN2CCC3(CC2)C(=O)N(CCOC)C(=O)N3Cc2ccccc2)o1 14733756 KZIAHMQEUXIDNV-UHFFFAOYSA-N 425.529 3.287 0 50 IGAA CCOC(=O)N1CCc2c(sc(NC(C)=O)c2C(=O)Nc2cc(OC)ccc2OC)C1 16213213 SOSGZNCOVOALHF-UHFFFAOYSA-N 447.513 3.491 0 50 IGAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@H]2c1ccc(F)cc1 19171371 AIYWZKPBBLQASD-BZSNNMDCSA-N 430.277 3.124 0 50 IGAA CCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 169775849 YSCOKEHJZHZPFH-UHFFFAOYSA-N 432.480 3.000 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 252444459 FVQOJZMQWHKUOU-UXHICEINSA-N 427.497 3.246 0 50 IGAA CCC(CC)C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 299767782 OEZWHOUGUTYNCB-XMMPIXPASA-N 445.560 3.189 0 50 IGAA COc1cccc(CNCC[C@H]2CCC(=O)N2CC2(N3CCOCC3)CCCCC2)c1 299781207 LBGJOOFKMPNQPT-JOCHJYFZSA-N 429.605 3.201 0 50 IGAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)c12 427989864 BMXJFXUFUCXANF-MZGRZVAYSA-N 427.504 3.437 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3nc(-c4cccs4)no3)CCSCC2)o1 1776111315 NPPYCHKGPHEBAE-UHFFFAOYSA-N 447.538 3.237 0 50 IGAA O=C(CCCn1cncn1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857704464 SQVZERFIHYQOAM-JOCHJYFZSA-N 425.577 3.157 0 50 IGAA CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc(C(C)=O)c1C 846866 HYDQKKYDRAMVKI-UHFFFAOYSA-N 428.466 3.061 0 50 IGAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCN1CCCCC1 10278464 ZIWRHOOBSTVJHZ-UHFFFAOYSA-N 429.586 3.259 0 50 IGAA O=C(O)CCCC[C@@H]1SC[C@@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1 12375913 DOBCSAZFJKTPFM-SVFBPWRDSA-N 426.538 3.344 0 50 IGAA biogenic O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1 14879404 UNXHEXDYZAVKRQ-RUZDIDTESA-N 437.515 3.208 0 50 IGAA CCCc1nc2cccnc2n1C1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 14995878 BDZPEONSTSYVIE-UHFFFAOYSA-N 432.528 3.391 0 50 IGAA Cc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)NCCCO)nn3)CC2)cc1 15071850 YRUKGADLLRUCPM-UHFFFAOYSA-N 433.556 3.203 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Br)c(Cl)c1 239165035 NIWXLWVLEUZYGR-GQYKBVJTSA-N 435.705 3.094 0 50 IGAA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]21 239305995 GHELZGBQBRYADY-XOYOTBSWSA-N 443.240 3.251 0 50 IGAA COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1 409414677 NYTKLSPMXWSDOV-VQTJNVASSA-N 432.480 3.185 0 50 IGAA O=C(CC1CCN(Cc2ccccc2)CC1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670447580 BGFJKYHOMKTXFQ-QHSWPGFUSA-N 434.588 3.140 0 50 IGAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCc2cn3c(n2)SCC3)cc1 1704330270 AYDLWSGQZFRJEJ-UHFFFAOYSA-N 425.514 3.183 0 50 IGAA CCc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857718968 AMJHPRGSBNOHQM-OXQOHEQNSA-N 445.548 3.386 0 50 IGAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C)nc(C)n3)CC2)cc1 11759737 QHUWYGUXAXJBCF-UHFFFAOYSA-N 434.500 3.028 0 50 IGAA COc1ccc(CN2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)cc1C 12190260 OHDHERCDFPTWAT-HXUWFJFHSA-N 449.551 3.101 0 50 IGAA C[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 12217671 RHNYYUFHMNEFNN-ICSRJNTNSA-N 446.551 3.495 0 50 IGAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 12306057 OSGISYJBMZYFCT-QGZVFWFLSA-N 431.606 3.102 0 50 IGAA COc1cccc2c1OCCCN(Cc1c(C(=O)N3CCCC3)nc3sccn13)C2 20119825 BHZPZWRJEZRGNZ-UHFFFAOYSA-N 426.542 3.425 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cc(C)ccc2C)C2=C1C(=O)OC2 169758154 CKJBQGWPMKQLLF-JOCHJYFZSA-N 435.480 3.218 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C2=C1C(=O)OC2 169764800 QOVDJFMGLNXKDK-HSZRJFAPSA-N 449.507 3.472 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NC1CCN(C(=O)c2ccco2)CC1 240886234 INYXXHADLGIQAP-VAMGGRTRSA-N 447.576 3.278 0 50 IGAA CC(C)(C)NC(=O)NC(=O)Cn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 253398722 OBKMYCQYFXFGKH-UHFFFAOYSA-N 438.328 3.058 0 50 IGAA Cc1ccc2c(c1)CN(CCC(=O)N1CCN(c3ncnc4ccccc34)CC1)C[C@@H](C)O2 299775054 JPDLSXUPDCKLED-HXUWFJFHSA-N 445.567 3.260 0 50 IGAA CCC[C@@H]1C[C@@H](C(=O)N=[S@@]2(=O)CCCN(c3nc(C(C)C)ns3)CC2)CCO1 2332238696 HZMMBIGTZFJULT-UMWAFNGASA-N 428.624 3.462 0 50 IGAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(O)c(Br)c1Cl 684818 ABJMIXPDAWJOTN-ZDUSSCGKSA-N 433.686 3.398 0 50 IGAA COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccccc2Cl)cc1OC 1421170 YIXFDJHSFDKNOZ-INIZCTEOSA-N 447.944 3.314 0 50 IGAA Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ncc(C)s3)n2C)c1 2837779 WFLUYZPDIRYPQY-ZDUSSCGKSA-N 430.559 3.110 0 50 IGAA CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 9600680 SCWKJNHVCPSDBA-WMZOPIPTSA-N 426.270 3.081 0 50 IGAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)CCC(=O)N(C)C)CC1 11938481 XVBIPETWKQEEHR-UHFFFAOYSA-N 436.600 3.499 0 50 IGAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1=O 12040815 YIYNNKIMFIKGRV-GOSISDBHSA-N 439.556 3.047 0 50 IGAA O=C(c1cccnc1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 12217902 PTUUTSCORVYCJH-UHFFFAOYSA-N 428.536 3.439 0 50 IGAA CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)cn1 12303822 MIEWHWDIUAOVMJ-UHFFFAOYSA-N 448.011 3.452 0 50 IGAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@H]1CC(=O)N1CCCN(C2CCCC2)CC1 12703661 NTJMQJCAFFHJPE-VWLOTQADSA-N 448.611 3.007 0 50 IGAA COc1ccccc1C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 14994952 MOYLDTGMVJZIQA-DEOSSOPVSA-N 439.487 3.197 0 50 IGAA C=Cc1ccc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 20998135 UKFTWJAKXJBXAT-QHCPKHFHSA-N 433.552 3.481 0 50 IGAA COCCn1ccc2cc(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)ccc21 206250515 NBWCGNCFPFJOMS-OAQYLSRUSA-N 432.480 3.097 0 50 IGAA COc1ccc([C@@H](NC(=O)C[C@H]2N=C(O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 252499802 SEUSXNVPJSGKIM-CTNGQTDRSA-N 425.485 3.237 0 50 IGAA Cn1ncc2c(N3CCN(C(=O)C45C[C@@H]6C[C@H](C4)CC(C(F)(F)F)(C6)C5)CC3)ncnc21 434211095 FLTBSEGLJHPRDK-XFKLWTPLSA-N 448.493 3.161 0 50 IGAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CC[C@]3(C2)OCc2ccccc23)C1 474451589 ZBTRMCODYJLVBS-AVRWGWEMSA-N 430.508 3.073 0 50 IGAA O=C([C@H]1CCCc2c1[nH]c1ccccc21)N1CCc2nnc(Cc3cccnc3)n2CC1 952965343 OTUDBLQCYXVNQW-FQEVSTJZSA-N 426.524 3.250 0 50 IGAA NC(=O)c1cc2c(nc1O)CCC[C@H]2NC(=O)c1cccnc1Nc1cc(F)ccc1F 1875255506 JUNVEVJRVMQBLA-MRXNPFEDSA-N 439.422 3.110 0 50 IGAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1cccnc1SC1CCCC1)C2 1875256052 LGTSDGSGMOPYHM-UHFFFAOYSA-N 431.583 3.223 0 50 IGAA COc1cccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@H]3CCOC4(CCC4)C3)CC2)c1 2332238934 QHCLNVIEYAGIGA-DRKIFQHWSA-N 448.585 3.274 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccccc1 8779636 XGAAEOPGLLGTDV-ZPBCLNFZSA-N 438.936 3.452 0 50 IGAA COc1ccc(N[C@H]2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)cc1OC 12319607 HIMGCRABCPOVSL-IBGZPJMESA-N 425.529 3.257 0 50 IGAA CN(Cc1ccccc1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 14962944 MYYFYAPIPDQWNK-UHFFFAOYSA-N 436.961 3.415 0 50 IGAA CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 14973422 GDXNWAFTXXHQGU-NRFANRHFSA-N 427.570 3.039 0 50 IGAA CCCCN(C)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 14977014 PIWMIOJKCDYJNQ-LJQANCHMSA-N 434.540 3.353 0 50 IGAA Cc1ccc(S(=O)(=O)C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169818563 KPKZSMQKZGIBGG-UHFFFAOYSA-N 428.629 3.478 0 50 IGAA C[C@]1(c2cccc(C(=O)OCC(=O)Nc3ccccc3-c3ccccc3)c2)NC(=O)NC1=O 770507262 STBYGQDGFBCQPK-RUZDIDTESA-N 443.459 3.204 0 50 IGAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCC(C)(C)N5[O] 1772491708 XFSSIDMMBOJNER-ZLVSZLQRSA-N 434.597 3.473 0 50 IGAA O=C(Cc1cccnc1)N1CCC[C@H]([C@@H]2CCN(C(=O)C3=Cc4cc(F)ccc4OC3)C2)C1 1875360169 AKFURJBSFCSSRU-VQTJNVASSA-N 449.526 3.326 0 50 IGAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC 789437 MEXINCXMHQOAMH-UHFFFAOYSA-N 438.933 3.397 0 50 IGAA Cc1ccc(S(=O)(=O)N(c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 1242428 XBGMDPTYESCEPH-INIZCTEOSA-N 442.356 3.264 0 50 IGAA CC(C)CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 2958158 KMUNKUTZOQKNOP-UHFFFAOYSA-N 439.375 3.412 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NCCc3ccccc3OC)CCC(=O)N2)c(F)c1 12098550 LEIYUOGBRYHKCB-XMMPIXPASA-N 428.504 3.173 0 50 IGAA COc1cccc(C[C@@H](C2CCN(C(=O)[C@@H]3CCCO3)CC2)N(C)C(=O)c2ccco2)c1 14998122 JUPVLGUAFWODGB-GMAHTHKFSA-N 440.540 3.389 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)cc(-n3cnnn3)c2)c(OC)c1OC 15008188 GIOXMMIYHUEMMR-HNNXBMFYSA-N 437.500 3.227 0 50 IGAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c(OC)c1 19299914 HULOFEUDZZLKNS-MRXNPFEDSA-N 431.558 3.092 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 36254089 MAJVKOSLUXBPPN-UHFFFAOYSA-N 442.368 3.247 0 50 IGAA C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H](c1ccccc1)N(C)C 170606616 BJDFDRUOCUMSMI-JTSKRJEESA-N 438.553 3.304 0 50 IGAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 244723759 MGTUTWHRNCGJJN-SFTDATJTSA-N 447.535 3.039 0 50 IGAA Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1 253420454 YADPUETTZDIPNY-NVXWUHKLSA-N 431.562 3.182 0 50 IGAA O=C(CNS(=O)(=O)NCc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 263639764 IAITYVANGUQDGO-UHFFFAOYSA-N 442.246 3.214 0 50 IGAA C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@@H]1Oc2ccccc2[C@@H]1C 438980492 UDGAGAXMGXKZNK-OWFNMBEASA-N 432.524 3.485 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2c(F)ccc(C)c2F)C1 1857705509 KKOMNOACNFDORD-YDIMBITNSA-N 435.559 3.102 0 50 IGAA C[C@@H](CCN1CCCC1)NC(=O)C12CCC(C(=O)N[C@@H](C)CCN3CCCC3)(CC1)CC2 2325750113 NDIXCSARWRJRIH-FPMFRTRJSA-N 446.680 3.308 0 50 IGAA NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2-c2ccccc2)cc1 679624 BLBLINAGUFDRHL-UHFFFAOYSA-N 430.493 3.159 0 50 IGAA CCc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)cc1 1141960 JFINICRGIWDCNZ-UHFFFAOYSA-N 435.977 3.017 0 50 IGAA CC1(C)C[C@@]2(C[C@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 2484400 XEOOHATVIZIQPX-WOJBJXKFSA-N 449.916 3.204 0 50 IGAA Cc1ccc(N2C(=O)/C(=C\NNS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 6058014 MJJCYGYIQTZFHZ-QNGOZBTKSA-N 433.489 3.006 0 50 IGAA CCN1C(=O)C[C@@](CC(=O)N(CC2CCC2)C[C@@H]2CCCO2)(c2ccccc2C)C1=O 12056983 IUTKRWKAYUKISS-CPJSRVTESA-N 426.557 3.209 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)CCC=C(C)C)CC3)cc1 12332791 MQWPBZJDPUUZSM-HXUWFJFHSA-N 439.604 3.500 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN([C@H](C)CCn3cccn3)CC2)c(Cl)c1 12711333 GVVVCBVFBFVWOW-QGZVFWFLSA-N 434.968 3.235 0 50 IGAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2)C(C)C 20785235 PJCPWIPMRJXFJE-OAQYLSRUSA-N 449.983 3.230 0 50 IGAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55182678 ZEWRRJNDVDFXIK-LJQANCHMSA-N 437.437 3.194 0 50 IGAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O 207900332 QQWIQRRKEOUHOX-XZOQPEGZSA-N 447.535 3.439 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC[C@]2(OC(C)=O)C(=O)COC(C)=O)C1 253503639 XGYKXXRAKKQWDL-UTSZDBNPSA-N 446.540 3.392 0 50 IGAA CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CC(n2cc([C@@H](C)O)nn2)C1 779613974 NCTPLNVANSUUOB-CQSZACIVSA-N 445.365 3.460 0 50 IGAA O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 1464032691 UGXWUQZEEQUHJQ-SFHVURJKSA-N 433.842 3.096 0 50 IGAA CCO[C@H](C(=O)N1CCC[S@](=O)(=NC(=O)[C@@H](CC)OC2CCCCC2)CC1)C1CC1 2332238269 JUIUCRVKYGHIDA-QMQXECRNSA-N 442.622 3.156 0 50 IGAA O=C(CNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)OCc1ccccc1 8926165 CKKALLGVONEDHA-PXLXIMEGSA-N 432.451 3.456 0 50 IGAA COC(=O)c1nc(NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)sc1C1CC1 429482850 IPVGJBQTIGSZIP-INIZCTEOSA-N 444.488 3.113 0 50 IGAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2-c1ccccc1 20220709 GRKDEPDTKZRBLR-UHFFFAOYSA-N 445.450 3.399 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc2ccccc12 229894290 FBZCIMOIZKPVIV-MSZDEVHKSA-N 441.462 3.410 0 50 IGAA Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 170631062 OFACAPJSTXBFJN-CRAIPNDOSA-N 432.590 3.400 0 50 IGAA COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)cc1 1078998 ILKNDDOHDOFVQZ-HXUWFJFHSA-N 449.467 3.010 0 50 IGAA CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1CN[C@@H](C)COC 11841565 XHFXOCVUFBGJHH-AWEZNQCLSA-N 430.530 3.306 0 50 IGAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@]12C(=O)N1c3c(cccc32)[C@H](C)CC1(C)C 12662993 VYAJMYVGACWBRQ-SHZVTRLKSA-N 434.492 3.437 0 50 IGAA biogenic Cc1nc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)cs1 14533822 NLFYLLMRPRZMHR-IBGZPJMESA-N 428.558 3.049 0 50 IGAA O=C(NCCc1ccccc1)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(F)c(F)c1)CC2 14959074 FEOHGUNQTVKCQI-SFHVURJKSA-N 434.508 3.115 0 50 IGAA CCOC(=O)[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14996550 NXECJTVYAFQRQE-XXBNENTESA-N 432.586 3.324 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 19925483 GGIPSLRQIIYGGU-UHFFFAOYSA-N 449.488 3.031 0 50 IGAA CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)nn2)n1 169777466 UUUSLESBIFCCNA-UHFFFAOYSA-N 436.394 3.266 0 50 IGAA CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@H](C(=O)OC)c1ccccc1 2884852 FHOXDLLMWGBVCM-MSOLQXFVSA-N 449.536 3.418 0 50 IGAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857705150 VBQDBRXAGTVJHO-NRFANRHFSA-N 446.617 3.287 0 50 IGAA COC(=O)c1cc(Br)c(CSC[C@@H](C)CS(C)(=O)=O)cc1OC 1875341452 UFGKNMMLBHBIAV-SNVBAGLBSA-N 425.366 3.158 0 50 IGAA CC[C@@H]1COC(C)(C)CN1C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301867 UHVIIRMXKPTCQN-CZUORRHYSA-N 429.439 3.290 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 659096 WHXTXBMVNHKPOZ-UHFFFAOYSA-N 432.432 3.004 0 50 IGAA Cc1ccc2cc(CCNS(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1C 9560093 XZIANDZAOBFSFD-UHFFFAOYSA-N 435.343 3.428 0 50 IGAA Cc1nc(C)c(C(=O)N2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)s1 11841018 BCYSJGFHLLFYIS-FQEVSTJZSA-N 432.571 3.184 0 50 IGAA CCCC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)O 11865415 IXLKGVOOSSZZHH-HNNXBMFYSA-N 431.485 3.343 0 50 IGAA biogenic COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC 12058012 PZGWAWRHXVSAEO-HXUWFJFHSA-N 429.561 3.407 0 50 IGAA CC[C@H](COC)NC(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C 12192118 JTQQPODRWZEFJC-CQSZACIVSA-N 428.514 3.495 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1ccc3[nH]cnc3c1)CCN(C(=O)Cc1ccsc1)C2 12240947 SRWUJPSSYVYHQA-UHFFFAOYSA-N 445.548 3.385 0 50 IGAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)c2ccc[n+]([O-])c2)CC1 12315155 YVSRJSNIRNAMJC-UHFFFAOYSA-N 436.430 3.367 0 50 IGAA O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)Nc1ccc2c(c1)OCO2 12389190 RCHMMKVCBAANAU-UHFFFAOYSA-N 426.860 3.256 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(C(F)(F)F)c1)C2 14532985 NRRCBBPNPNVVNU-MRXNPFEDSA-N 438.519 3.275 0 50 IGAA COc1ccc(C2(C(=O)Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)CCOCC2)cc1 16286613 UADGHVFQTZSOJA-QFIPXVFZSA-N 438.524 3.291 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 101064995 GIBBJOHGBGROMH-VUKUWZNJSA-N 425.710 3.462 0 50 IGAA COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 101171561 QYWBKOWNJPKBRR-DNVJHFABSA-N 430.460 3.448 0 50 IGAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2nc3ccccc3nc2C)CC1 170551445 OKCHNNVLKUNMJM-UHFFFAOYSA-N 432.933 3.111 0 50 IGAA Cc1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(OCc2ccccc2)c1 170591919 NSUBUJFNZRISNW-AUSIDOKSSA-N 444.553 3.432 0 50 IGAA CC(C)(C)C(=O)N1CCC(C(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)CC1 170596799 JTEZNHAVRAZRML-INIZCTEOSA-N 439.350 3.366 0 50 IGAA C[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)N1CCCCC1=O 170606533 RDLRWLDRPUDEKQ-MRXNPFEDSA-N 443.617 3.215 0 50 IGAA CC(C)OCCCC(=O)N(C)CCN(CCN1CCCCC1)C(=O)CCCOC(C)C 328592036 QAJAUCDWNZFMKM-UHFFFAOYSA-N 441.657 3.170 0 50 IGAA O=C1N[C@@H](CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)C(=O)Nc2ccccc21 828320664 YPTFQMTUNGLPCY-KSSFIOAISA-N 434.521 3.143 0 50 IGAA biogenic O=C(CCCc1cnn[nH]1)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893182 LGPIBFRJERZTBF-GOSISDBHSA-N 438.385 3.049 0 50 IGAA COc1ccc(C(=O)[C@H](N[C@H]2CCc3ccccc3NC2=O)c2oc(C)cc(=O)c2O)cc1 1776111551 DYPOSAYYEWHIQI-FPOVZHCZSA-N 448.475 3.130 0 50 IGAA CCOc1ccccc1CCC(=O)N1CCC[C@@H]1Cn1cc(-c2cnccc2C(=O)O)nn1 1875355725 OIISYLGEKLNUBN-GOSISDBHSA-N 449.511 3.061 0 50 IGAA O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(Br)cc1 1115587 DSGKPIFQEAMGCI-UHFFFAOYSA-N 446.345 3.375 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 8443445 HCJQPLWOMYAYDA-CQSZACIVSA-N 445.335 3.088 0 50 IGAA CCn1cc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)c(C)n1 11878472 JGEMZUAHIQVRFT-UHFFFAOYSA-N 434.968 3.284 0 50 IGAA Cc1c(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 11902981 YYIFHHFGTKGDFG-UHFFFAOYSA-N 447.520 3.378 0 50 IGAA C[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 12149588 JLYHMOYDUOJPLJ-FQRUVTKNSA-N 449.551 3.196 0 50 IGAA O=C1CC[C@H](C(=O)N2CCC(OCc3ccccn3)CC2)CN1Cc1ccccc1F 12429597 MRUBQDNSHCBIBC-IBGZPJMESA-N 425.504 3.167 0 50 IGAA Cc1nc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cs1 14949991 HZPGNZICCMYREP-HSZRJFAPSA-N 448.592 3.468 0 50 IGAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O 15004487 BXBBEYCXNKZWBF-UHFFFAOYSA-N 432.609 3.057 0 50 IGAA COc1cccc(C[C@]2(CCC(=O)N(C)Cc3ccc4nsnc4c3)CCC(=O)N2)c1 15069165 AYONUKHIPIVRCJ-HSZRJFAPSA-N 438.553 3.330 0 50 IGAA CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 170640823 GPABNMXLPHMXOK-HNNXBMFYSA-N 431.302 3.183 0 50 IGAA O=C1NC(=O)[C@@H]2[C@@H]1Sc1[nH]c(=O)sc1[C@H]2c1cn(Cc2ccccc2)c2ccccc12 238950675 ZGTBZPCBMVAHGQ-BZSNNMDCSA-N 447.541 3.318 0 50 IGAA Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239402772 RCRDVPPOKMVRTM-KNNWPQOTSA-N 435.520 3.334 0 50 IGAA O=C(c1ncn2c1CO[C@@H](c1ccccc1)C2)N1CCC(C(=O)N2CCCCCC2)CC1 263616293 HYFCHIBZSKGYBX-JOCHJYFZSA-N 436.556 3.409 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccccc2OC)[nH]n1 409413060 ARKMUCMONBPIJB-XMSQKQJNSA-N 426.561 3.438 0 50 IGAA Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c(C)c1 828055714 PNTGUEMJOVYLAE-UHFFFAOYSA-N 430.486 3.131 0 50 IGAA CC(C)c1ncc(OCc2ccccc2)c(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)n1 1454255683 PPMIMDHDBMVGSK-LJQANCHMSA-N 429.484 3.212 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)nn1-c1ccc(Br)cc1 1775988827 KXHKSNNUIJFUNW-KNBMTAEXSA-N 447.377 3.302 0 50 IGAA CC(C)c1ccc(-c2cc(NC(=O)CNC[C@H]3COC(=O)N3)n(-c3ccccc3)n2)cc1 1875257527 VKOKUGFAGMZHDI-IBGZPJMESA-N 433.512 3.299 0 50 IGAA Cc1cc(-c2cc(=NC(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3)[nH][nH]2)ccn1 2325875495 ULCLFVQLPRPNQA-UHFFFAOYSA-N 447.520 3.396 0 50 IGAA COc1cccc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)[C@H]3CCOC4(CCC4)C3)CC2)c1 2332238935 QHCLNVIEYAGIGA-FZEVHQGJSA-N 448.585 3.274 0 50 IGAA Cn1c(=O)c2c(nc(SCc3ccccc3Cl)n2Cc2ccccc2)n(C)c1=O 623527 OKIPTCWBVNJGOH-UHFFFAOYSA-N 426.929 3.428 0 50 IGAA COC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 846547 VMTWPGNDHGDWJO-NRFANRHFSA-N 428.444 3.319 0 50 IGAA O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 1174276 RPCXHPGWMNGYEH-HNNXBMFYSA-N 443.352 3.484 0 50 IGAA O=C(c1cccc(F)c1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2cccnc2)C1 14532315 ZHAALXINDXJMGW-JOCHJYFZSA-N 425.504 3.423 0 50 IGAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N2CCOc3ccc(Cl)cc3C2)c1=O 14879704 SCWADIUWBPHYGC-AWEZNQCLSA-N 431.920 3.257 0 50 IGAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)no1 15074136 WMAZLRFRZDPEPG-OAQYLSRUSA-N 439.443 3.023 0 50 IGAA CC(C)(C)OC(=O)N1CCN(CC(=O)NCCc2cccs2)[C@H](c2cccnc2)C1 225726755 DSRJIFQOWMWJHD-IBGZPJMESA-N 430.574 3.096 0 50 IGAA COc1ccc(N2C(=O)[C@H](CCC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)N=C2O)cc1 252489502 JSAWTAQKLBAXEH-PZJWPPBQSA-N 449.511 3.494 0 50 IGAA CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1c(C)nn(Cc2ccccc2)c1C 253421678 AUYLPLADGUMQKQ-NRFANRHFSA-N 445.516 3.270 0 50 IGAA COc1ccc([C@H](CNC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)N2CCCC2)cc1 497849259 WTNCPWZTHRGEPS-QHCPKHFHSA-N 442.604 3.409 0 50 IGAA Cc1oc(-c2ccccc2F)nc1CN1CCCN(S(=O)(=O)N2CCCCC2)CC1 1529119167 UFMDIWULAXRUGR-UHFFFAOYSA-N 436.553 3.028 0 50 IGAA CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(-n2cccc2C(=O)O)c(C)c1 2325841431 UWOVSNGUBRAADH-UHFFFAOYSA-N 432.454 3.227 0 50 IGAA CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 1119667 OZRWJFKAWFTLLP-UHFFFAOYSA-N 426.947 3.335 0 50 IGAA O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)c1ccc(Br)cc1 1184127 VTPRVIBDXHVUAU-UHFFFAOYSA-N 431.311 3.236 0 50 IGAA Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NS(=O)(=O)c1cnn(C)c1C 2792774 ZIBDKCZVJHRWNJ-UHFFFAOYSA-N 427.452 3.410 0 50 IGAA COc1cccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1OC 8683683 NNLLMMGIPDCJGN-UHFFFAOYSA-N 441.547 3.404 0 50 IGAA CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3OC)C2)CCCCC1 11878793 KCGCYNAQPFONNT-IBGZPJMESA-N 430.545 3.206 0 50 IGAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1nc(-c3ccccc3)cs1)C2 14530327 NCABHABPCOIZJD-GOSISDBHSA-N 435.597 3.469 0 50 IGAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1 15017735 OMFRNPLQGSTABP-UPVQGACJSA-N 427.508 3.065 0 50 IGAA Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1 23129721 IEFVMUWWAFLYNX-INIZCTEOSA-N 425.483 3.414 0 50 IGAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc(NC(C)=O)c4)C3)[nH]n2)cc1 169753671 VCJCFWCNQVCDLO-HXUWFJFHSA-N 433.512 3.443 0 50 IGAA CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1 170614542 NONATOUIECKAPG-UXHICEINSA-N 433.474 3.315 0 50 IGAA CCOc1ccc(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCCC1 229994516 YWKNMGXTUNCNQM-AZUAARDMSA-N 449.617 3.463 0 50 IGAA Cn1ncnc1COc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1 242324348 ZAIYQVAYPOUIAF-UHFFFAOYSA-N 426.420 3.152 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)c1nc2ccccc2[nH]1 252500575 SYDACWUKSPDYOF-GQWAEJPESA-N 443.573 3.253 0 50 IGAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 253389833 OITGREQAXLVEJB-GKAYAJSDSA-N 439.874 3.219 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 253398337 CBHAAIFAQOMMAF-OZIGNCPNSA-N 442.585 3.396 0 50 IGAA biogenic Cc1ccc(C)c(C2=NO[C@@H](C(=O)NCc3ccc(C(=O)N4C[C@H](C)O[C@H](C)C4)cc3)C2)c1 1356023032 CPFPICKGDVXAJF-YDIMBITNSA-N 449.551 3.362 0 50 IGAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCCc1nc(-c2ccccc2Cl)no1 1704307579 APEUYHULFDGXBW-UHFFFAOYSA-N 430.940 3.335 0 50 IGAA CC[C@H](C)[C@H](NC(=O)CN1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)C(=O)O 1875258630 QVLHXBUXRPHASN-AOMKIAJQSA-N 447.576 3.287 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 2064711 IYALFERYXSITEY-SFHVURJKSA-N 426.494 3.220 0 50 IGAA COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCOCC4)c3c2C)c(OC)c1 2911534 XXPHJOACRHBSAL-UHFFFAOYSA-N 428.514 3.414 0 50 IGAA Cc1cccc(CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)c1 8594038 ISOFOLWSIWJLIU-UHFFFAOYSA-N 431.467 3.492 0 50 IGAA C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc2ccccc2c1=O 9487294 NBGCWIUSRLOIBJ-HNNXBMFYSA-N 430.430 3.325 0 50 IGAA COc1ccc(CN(Cc2ccccn2)C(=O)c2cccc(N3CCNC3=O)c2)cc1OC 11787408 VJMZYZSCLGKTPA-UHFFFAOYSA-N 446.507 3.471 0 50 IGAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)nn1 12281571 VYCRBBSYGMIZQW-OQOKOFKUSA-N 427.593 3.215 0 50 IGAA O=C(NC[C@H]1CCCN(C(=O)CCCn2cncn2)C1)c1ccc(-c2ccccc2)cc1 12297728 ASPASVJXJHISQN-HXUWFJFHSA-N 431.540 3.394 0 50 IGAA COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4cccc(NC(C)=O)c4)CC3=O)c2c1 12379740 KAHVCUBMYKZXJU-QGZVFWFLSA-N 434.496 3.165 0 50 IGAA Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)cc1)OCC3 12427968 SMTQLMBKTHDMEC-NRFANRHFSA-N 437.883 3.184 0 50 IGAA CCOC(=O)N1CCC(NCc2cc3ccc(F)cc3n(Cc3cccnc3)c2=O)CC1 12457395 PSOKOAVXBGHBBE-UHFFFAOYSA-N 438.503 3.294 0 50 IGAA Cc1ccc2c(c1Br)C(=O)C(=O)N2CN1CCN(c2ccc(F)cc2)CC1 12462651 GFQUSAMEMFFGJZ-UHFFFAOYSA-N 432.293 3.206 0 50 IGAA COc1ccc(OC)c(CNCc2ccc(OC[C@H](O)CN(C)C(C)C)c(OC)c2)c1 12611991 UVRGEQWTPVCRSJ-HXUWFJFHSA-N 432.561 3.082 0 50 IGAA COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccccc2)C1 14733633 ONFFEJBZHHHAQC-BJKOFHAPSA-N 449.595 3.405 0 50 IGAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2cccc(O)c2)C3)cc1 14745270 RCBWWTNSHUINFM-UHFFFAOYSA-N 434.540 3.100 0 50 IGAA Cc1cc(-c2cc3c(n(Cc4cccnc4)c2=O)CCN(C(=O)[C@@H]2CCOC2)C3)ccc1F 14749482 YKXIFFXMPLPXKZ-HXUWFJFHSA-N 447.510 3.327 0 50 IGAA Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(C)c3C)c(=O)n(-c3ccccc3)c2n1 20417830 KPMBLCAOGIMXRR-UHFFFAOYSA-N 428.492 3.420 0 50 IGAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)[nH]n1 257198966 NNOIQBMRUQNVGM-JDKSZYQJSA-N 434.588 3.462 0 50 IGAA biogenic CC(C)(C)c1nc(CN2CCCN(C(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)no1 409585454 FIWJKMSNSAUBBL-UHFFFAOYSA-N 443.573 3.150 0 50 IGAA C[C@H]1CN(Cc2ccccc2CNS(=O)(=O)c2c[nH]c3cccc(F)c23)C[C@@H](C)O1 477527629 VOFSLUKNXRSDPN-IYBDPMFKSA-N 431.533 3.395 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)Nc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc1 817003676 JJZVZYLXKVJQLM-UHFFFAOYSA-N 430.464 3.288 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H]3OCCc4ccccc43)CCSCC2)o1 1776111413 VIVDGTKJSPDPDT-IBGZPJMESA-N 429.538 3.239 0 50 IGAA CN(C)C(=O)[C@@H]1CC[C@@H](Cn2c(-c3cnccn3)cs/c2=N\c2ccc(F)cc2F)O1 1875255760 BFAIOMGQECLLFL-JKKPTWSFSA-N 445.495 3.153 0 50 IGAA O=C(NCc1cc2c(s1)CCSC2)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 1875259526 BGTWPTSKSGUJME-LJQANCHMSA-N 430.595 3.052 0 50 IGAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCC4(CC3)OCCc3sccc34)cn12 2356144362 UCMVCBCXYINSGE-IBGZPJMESA-N 426.542 3.184 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccs1 633336 SAJAOJGNWLUDKU-XBNGYDHASA-N 430.938 3.123 0 50 IGAA Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 2887345 ZCUXOEDSKHPMBO-GOSISDBHSA-N 445.585 3.482 0 50 IGAA CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CC(=O)Nc3cccc(Cl)c3C)ccc21 8601070 BBAUSHBWJOANBT-UHFFFAOYSA-N 449.960 3.207 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 12020776 GLVPPRNDPHSRKK-SFHVURJKSA-N 448.527 3.030 0 50 IGAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(Cl)cc2)CC3)c1 12027841 PSZJBPXMPJLWSD-MRXNPFEDSA-N 439.947 3.489 0 50 IGAA CN(CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccc(-c2ccccc2)cc1 14884412 XZHWKYGMVILLFX-UHFFFAOYSA-N 426.524 3.402 0 50 IGAA COc1cc(CNCC2(O)CCCCC2)ccc1OC[C@@H](O)CN1CCCCCCC1 15069461 NDTCMLDDPWTWNV-QFIPXVFZSA-N 434.621 3.486 0 50 IGAA COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 15071492 QNOWXKDPWPNRDU-QFIPXVFZSA-N 430.593 3.065 0 50 IGAA O=C(CSc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1 16475225 PXLZISSOKUENLI-UHFFFAOYSA-N 436.541 3.051 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2c1 20177537 CSKOEXJIPGNMKI-UHFFFAOYSA-N 439.487 3.087 0 50 IGAA O=C1CC[C@@H](N2CCN(Cc3cccc(F)c3)CC2)CCN1CCOc1ccccc1 20999425 MAZFYHPFKWSPNI-HSZRJFAPSA-N 425.548 3.403 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NC12CC3CC(CC(C3)C1)C2 55211189 BUPQGNFTDNJLKK-PBVNKPPYSA-N 433.955 3.255 0 50 IGAA CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21 245255296 HEKGQDHENBWUHA-QJZMRSRYSA-N 448.544 3.385 0 50 IGAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4C[C@H](C)C[C@@H](C)[C@@H]43)C2=O)cc1 248120461 DTGAJXXDKPSZGA-YVNLSBANSA-N 433.508 3.372 0 50 IGAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2ccc(C)c(NC(=O)[C@H]3CCCO3)c2)c1 952976729 OHZUIVIOPYLYGB-OAQYLSRUSA-N 438.528 3.173 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCc3nc4ccccc4[nH]3)CCSCC2)o1 1776111784 PQKPXNRNUYSLNN-UHFFFAOYSA-N 441.553 3.434 0 50 IGAA COc1ccc(C(=O)[C@H](NCCn2cnc3ccccc32)c2oc(C)cc(=O)c2O)cc1 1776111869 VLAMZJDUXOCBAF-NRFANRHFSA-N 433.464 3.226 0 50 IGAA O=C(/C=C/c1ccccc1)NC1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)CC1 1875378947 LGZZRWSKEJSKEJ-VHTFYLNKSA-N 438.911 3.242 0 50 IGAA O=C(CCCC(=O)N[C@H](CO)c1cccc(Cl)c1)N[C@H](CO)c1cccc(Cl)c1 2325721417 BSFSIFABWWKKIQ-RTBURBONSA-N 439.339 3.163 0 50 IGAA COc1cc2c(cc1OC)C1(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC1)OCC2 2356136784 JQADCNGBQCNCLT-UHFFFAOYSA-N 425.481 3.066 0 50 IGAA Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O 1481956 PMXMIIMHBWHSKN-LJQANCHMSA-N 426.492 3.081 0 50 IGAA biogenic,fda CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccccc1Cl 12413252 RDLZXWCRQQTCFJ-KRWDZBQOSA-N 448.310 3.458 0 50 IGAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C[C@H]1CC=CCC1)CC2 14744333 COXLFWYCRVYWBK-QFIPXVFZSA-N 440.588 3.116 0 50 IGAA CC(C)NS(=O)(=O)c1cc(NCC2CC2)cc(C(=O)Nc2ccc3c(c2)COC3)c1 14744474 DSZQUCHJXDNJSS-UHFFFAOYSA-N 429.542 3.478 0 50 IGAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)[C@@H](C(=O)O)C1 19644950 PTRBKSQNEGXMPQ-SJORKVTESA-N 446.569 3.485 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccccc1 55211107 TVPPNMWBMFBGND-VWLOTQADSA-N 427.548 3.325 0 50 IGAA O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1 67789875 APOAINWQWNIOEO-OAQYLSRUSA-N 434.584 3.358 0 50 IGAA O=C1NCCN(Cc2cccc(F)c2F)[C@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 67822116 RZHLJEWOISEAQF-QFIPXVFZSA-N 441.522 3.137 0 50 IGAA COC[C@]1(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CCN(C(=O)OC(C)(C)C)C1 253419027 HELAYKBFQBPBPX-QHCPKHFHSA-N 431.533 3.198 0 50 IGAA CCC1(O)CCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 444172672 ZSVCTQHFTBCKMO-UHFFFAOYSA-N 432.568 3.452 0 50 IGAA CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 489545372 FLZOLJHMDIPSOS-UHFFFAOYSA-N 439.578 3.157 0 50 IGAA CN(C)c1noc(CNC(=O)NC(C)(C)Cc2c[nH]c3c(Br)cccc23)n1 1857531092 DOSLAINVVUZTEP-UHFFFAOYSA-N 435.326 3.200 0 50 IGAA COc1ccnc(NC2CCN(C(=O)[C@@H]3CCn4c(cnc4-c4ccccc4)C3)CC2)n1 1875261462 SYTYZWLOIOQVRO-GOSISDBHSA-N 432.528 3.014 0 50 IGAA CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325895572 DMRXSIOHFIRDMG-LEWJYISDSA-N 445.519 3.061 0 50 IGAA O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1ccc(Cl)cc1 950378 WLXHCNWHARUPOX-UHFFFAOYSA-N 437.930 3.223 0 50 IGAA Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4F)C3)ccc21 8609560 CNSHLZHANGRFAE-SFHVURJKSA-N 429.517 3.035 0 50 IGAA aggregator CS(=O)(=O)c1ncc(CN2CCC3(C=Cc4ccccc43)CC2)n1C[C@@H]1CCCO1 12300633 JLBINFOEPBUVRI-FQEVSTJZSA-N 427.570 3.026 0 50 IGAA CC[C@H](C)CN1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC 14540414 HRKSLDLEESYOPQ-IBGZPJMESA-N 431.577 3.377 0 50 IGAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 19866601 ADWVFVWRGKYLDS-UHFFFAOYSA-N 446.334 3.324 0 50 IGAA CCn1nccc1-c1cc(C(=O)OC)c2c(=O)[nH]c(=S)n(-c3ccccc3OC)c2n1 20604169 JRXBPFKPBKGAFM-UHFFFAOYSA-N 437.481 3.122 0 50 IGAA COCc1nn2c(nnc3c(=O)n(C[C@H]4CCCO4)ccc32)c1-c1ccc(Cl)cc1 40396223 JCGQMKCQRGGNGX-OAHLLOKOSA-N 425.876 3.085 0 50 IGAA CCCN1CCC(CC(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 55154368 UTLYRVOJJWTXLN-XMMPIXPASA-N 430.612 3.451 0 50 IGAA O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55183099 MTMMDFZGAYMWAZ-OAQYLSRUSA-N 425.504 3.024 0 50 IGAA COC(=O)c1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 55308813 CKISHJRMPJXBMA-QFIPXVFZSA-N 425.504 3.039 0 50 IGAA O=C(Nc1cccc(O)c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)c2ccccc21 100742271 SPCIKAHTGSLSJS-DENIHFKCSA-N 433.391 3.450 0 50 IGAA CSc1nc2nc(C)c(CC(=O)NCc3ccsc3Br)c(C)n2n1 225757096 IBWLPJQHLPGDCU-UHFFFAOYSA-N 426.365 3.146 0 50 IGAA CN1CCC(O)(c2ccc3c(c2)CN(Cc2cc4c(cc2Cl)OCO4)CCO3)CC1 299768778 MPAPNQRXJFREHZ-UHFFFAOYSA-N 430.932 3.377 0 50 IGAA Cc1cc(NC(=O)[C@@H](OC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C(C)C)no1 390832705 KZGRDOUIPAWVCK-RTWAWAEBSA-N 435.480 3.661 0 50 IGAA Cc1csc([C@](O)(CC(=O)N2CCC(c3nncn3C(C)C)CC2)C(F)(F)F)n1 731852087 BCZBLBAWEWDKHO-QGZVFWFLSA-N 431.484 3.170 0 50 IGAA O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 746252189 RJSNFTOFRLXPHY-ZWKOTPCHSA-N 447.557 3.243 0 50 IGAA O=S(=O)(CCCF)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952893506 MYLZWQGXJBKWEL-OAHLLOKOSA-N 425.379 3.071 0 50 IGAA CN(C)Cc1csc(CN2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)c1 1857712913 OBZRDCRTVNYGPF-JVNMPXIPSA-N 425.598 3.219 0 50 IGAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 942860 ROTISOBMQVVIDW-UHFFFAOYSA-N 432.889 3.257 0 50 IGAA CCCN1C=C(C(=O)OC)C(c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1 1140648 HEUVYEOJUZXTGQ-UHFFFAOYSA-N 438.274 3.101 0 50 IGAA CCc1nn(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3sc(C)cc3n12 9848627 GMWVIRPICOOFSA-HZPDHXFCSA-N 443.617 3.066 0 50 IGAA CN(Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1)Cc1ccc2ncccc2c1 11667687 IHZYGRSGGHYGBC-XMMPIXPASA-N 435.568 3.063 0 50 IGAA COc1ccc(-c2noc(CN3CCC[C@H](OCc4ccccn4)C3)n2)c(OC)c1OC 12448443 BBYQQFHILQTYGL-KRWDZBQOSA-N 440.500 3.339 0 50 IGAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 12450546 RCJOUXKXCPKVDO-HXUWFJFHSA-N 426.513 3.161 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCc2ccc(Cl)s2)c1=O 14981050 ZQOKQKYLZRBSDC-UHFFFAOYSA-N 429.929 3.291 0 50 IGAA CCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 19772026 DEKMGVZQOOXCLR-JOCHJYFZSA-N 425.504 3.459 0 50 IGAA NC(=O)c1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Br)cc2)OC3)cc1 169759805 ZABXVWHRZYJWBK-GOSISDBHSA-N 441.285 3.268 0 50 IGAA COc1ccc(Br)cc1Cc1nnnn1CC(=O)N(C)[C@@H](C)c1ccccc1 170617979 SLEZCZBNWMHKPD-AWEZNQCLSA-N 444.333 3.255 0 50 IGAA COc1cc(OC)c(CNC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 170626666 HKLPGPZRAFKCMB-LJQANCHMSA-N 440.496 3.040 0 50 IGAA O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 481519928 PEJIJRSBKTZFQJ-OAQYLSRUSA-N 435.524 3.208 0 50 IGAA CN1CCC[C@H](c2nnc3sc(-c4cccc(I)c4)nn23)C1 823771401 BDKWEZNILWWDTE-NSHDSACASA-N 425.299 3.267 0 50 IGAA O=C(NCC1=CCNCC1)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952892130 FERLEMXRXAMPOX-LJQANCHMSA-N 439.413 3.011 0 50 IGAA NC(=O)[C@H](CNC(=O)Nc1ccnn1Cc1ccc(Cl)s1)Cc1ccc(F)cc1 1467404880 BLQOZLNYKNZTCE-ZDUSSCGKSA-N 435.912 3.251 0 50 IGAA Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c(C)s2)n[nH]1 1506423875 YMXPSZNHCSLULU-HNNXBMFYSA-N 442.570 3.366 0 50 IGAA COCCS(=O)(=O)Cc1cccc(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)c1 1875257934 XDILLVOUCPYQOU-JOCHJYFZSA-N 442.537 3.256 0 50 IGAA Cc1[nH]nc2ncc(C(=O)NCC[C@H]3[C@@H](C)CCCN3C(=O)c3cccc4c3COC4)cc12 1875359669 MGFVEMOWJPAWEJ-NYHFZMIOSA-N 447.539 3.357 0 50 IGAA COc1cc([C@H]2CC(=O)NC(C)=C2C(=O)OC(C)C)c(Br)c(OC)c1OC 1085833 SQABHXFPYWKQBA-LLVKDONJSA-N 442.306 3.304 0 50 IGAA biogenic,in-vitro COC(=O)Cc1c(C)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2oc1=O 8763605 ZGFVNGHFIHMQHZ-UHFFFAOYSA-N 442.420 3.062 0 50 IGAA CC[C@H](O)C1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1 12304980 RLPSMNCSVFEQDJ-QFIPXVFZSA-N 433.618 3.291 0 50 IGAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cccnc3OC)C2)c(OC)c1 12582684 CYDKYDFRMZHYMV-QGZVFWFLSA-N 441.528 3.056 0 50 IGAA COc1cc(CN(C)Cc2cn(C)nc2C)ccc1OC[C@H](O)CN(C)C1CCCCC1 12595159 WKHVKHPPQHZWPR-HSZRJFAPSA-N 444.620 3.373 0 50 IGAA COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@@H](C)CCn3cccn3)cnc2n1C 14535444 YCOOSSFJQYAKCR-AWEZNQCLSA-N 436.472 3.292 0 50 IGAA Cc1cc(I)ccc1NC(=O)c1ccccc1NS(C)(=O)=O 16424960 BJTWEDGUAYHJNP-UHFFFAOYSA-N 430.267 3.223 0 50 IGAA COc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cc1 54147049 BPTHMXKTARYZIA-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA O=C1[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(=O)[C@]5(Cl)[C@@]3(Cl)[C@]2(Cl)[C@]5(Cl)[C@@]14Cl 100693922 OPKVZCAUZQWGAJ-NUFWMZOLSA-N 435.732 3.013 0 50 IGAA NC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCCCC2)cc(=O)c1O 253396293 AYUFARGKDUUQQP-INIZCTEOSA-N 440.418 3.237 0 50 IGAA O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 328591914 AOTRGWUFOIRGAF-WGSAOQKQSA-N 428.558 3.019 0 50 IGAA CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 470625513 ZFVRCOWBAVKODJ-MRXNPFEDSA-N 443.352 3.472 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)nn1 726533871 MWMAVMTYALMTSQ-ROUUACIJSA-N 426.521 3.057 0 50 IGAA COc1cccc(CN2C[C@@H]3[C@H](CNC(=O)c4cc(C)oc4C)[C@H]4CC[C@]3(C2)O4)c1OC 1704299033 LYKAOVAQPKHPGQ-UWHHFBIGSA-N 440.540 3.323 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3oc2=O)c1 6166052 RZHPQCVUHDLFKN-UHFFFAOYSA-N 430.482 3.084 0 50 IGAA COC(=O)[C@H]1CC(=O)N(Cc2cccc(OC)c2)C12CCN(C[C@H]1CC=CCC1)CC2 12040497 DVRQRFXUOZKDSQ-SIKLNZKXSA-N 426.557 3.408 0 50 IGAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)Cn2nc3ccccc3n2)CC1 12704276 UNIZUHSLUXORMB-UHFFFAOYSA-N 436.512 3.072 0 50 IGAA COc1cccc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14733622 GCVXVDKLNVCERJ-HXUWFJFHSA-N 440.588 3.009 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCCN2CCCCC2=O)C1 14977454 KZKZRCGKZORAHQ-XMMPIXPASA-N 432.536 3.333 0 50 IGAA COc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 16277110 KUETZJKVTIXKCI-UHFFFAOYSA-N 425.963 3.052 0 50 IGAA CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 20500249 GGXCXLFUDAFLPL-HXUWFJFHSA-N 443.887 3.030 0 50 IGAA CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1=O 242273567 YDYOORRNCVKOJW-BAGYTPMASA-N 435.568 3.465 0 50 IGAA CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 248292528 UWKPDDVDJXFTFJ-IAGOWNOFSA-N 444.553 3.144 0 50 IGAA CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 253394045 XRIBIFLLYHAMCH-LNLFQRSKSA-N 442.025 3.025 0 50 IGAA O=C1NCCN(S(=O)(=O)c2cccc3ncccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1319617028 DKVHAVMZNBHGCU-GOSISDBHSA-N 435.427 3.115 0 50 IGAA NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 1875257780 GIPIXWQVMBZHAA-XSBJJCPUSA-N 448.454 3.420 0 50 IGAA CN(C)[C@H](C(=O)OCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F 1875258356 JZSZVIVDRXLCNQ-KRWDZBQOSA-N 441.360 3.305 0 50 IGAA O=c1c(-c2nc(-c3nc[nH]n3)nn2[C@@H]2CCCc3ccccc32)cccn1[C@H]1CCSC1 1875340468 CRWFYSHHLHISQO-QFBILLFUSA-N 445.552 3.496 0 50 IGAA C=CC(=O)N1CCC(C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 1875371742 KTWZTMCBASRCOY-UHFFFAOYSA-N 427.545 3.415 0 50 IGAA COc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c(O)nc3ccccn3c2=O)cc1 2049511933 HOJHFLBJLVJWFU-HXUWFJFHSA-N 429.476 3.247 0 50 IGAA Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)c1C 3400161 DOFHYXBPOKRVPS-UHFFFAOYSA-N 441.597 3.440 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)Cn1cnc3ccccc31)CC2 11785006 OGPWUORZRJYPAY-KRWDZBQOSA-N 432.480 3.032 0 50 IGAA Cc1occc1C(=O)Nc1cnn(CC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)c1 11912640 LTLSMNSGTVKGSH-JOCHJYFZSA-N 433.443 3.477 0 50 IGAA COCCN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CCN(C(=O)C(C)(C)C)CC2)C1=O 12132078 WPDNNUBVLQJJKJ-QHCPKHFHSA-N 449.979 3.104 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(COC)o3)CC2)c(Cl)c1 14953367 JMDPUHCROZKWGO-UHFFFAOYSA-N 436.936 3.499 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@H]32)cc1 263630139 JFVOZNBTVCDDRN-AWLVNHAFSA-N 448.585 3.063 0 50 IGAA COc1ccc(-c2oc3c(c2CC(=O)NCC(OC)OC)c(=O)oc2ccccc23)cc1 2049513423 SBMQKTAYKXSLLC-UHFFFAOYSA-N 437.448 3.492 0 50 IGAA Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 1130015 WFFKBFWGAIONAW-INIZCTEOSA-N 426.498 3.300 0 50 IGAA COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 1162660 NDPYQWLWOFHOHL-YVLHZVERSA-N 444.440 3.053 0 50 IGAA O=C(COc1ccccc1)N[C@@H]1c2ccccc2C2(CCN(Cc3ccco3)CC2)[C@H]1O 11911508 XJLSXINNBGZJQJ-RPBOFIJWSA-N 432.520 3.424 0 50 IGAA CN(C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1)[C@H]1CCOC1 12247971 XWTMCYHHHNOFOQ-QFIPXVFZSA-N 437.540 3.035 0 50 IGAA CN(Cc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12443046 SDTIIBKQQYKQEP-XMMPIXPASA-N 444.535 3.223 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 12456331 WZNWRQBPMJENMB-LJQANCHMSA-N 443.588 3.031 0 50 IGAA COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccoc3C)CC2=O)cc1 14530872 JXDDWTJXJZPIKK-JOCHJYFZSA-N 449.507 3.062 0 50 IGAA Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 16269012 YVIIFMNLXIXWAV-GOSISDBHSA-N 443.569 3.333 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 16650008 WKEISKHGPJGBBD-UHFFFAOYSA-N 434.539 3.217 0 50 IGAA CC(C)S(=O)(=O)c1ncc(CN(C)C[C@@H]2CCCCN2C)n1Cc1ccccc1F 19799791 ZVQUFCRWKLWPND-IBGZPJMESA-N 436.597 3.169 0 50 IGAA Cc1nc2ncnn2c(C)c1CCC(=O)N(C)[C@H]1CCCN(CCCc2ccccc2)C1 23129445 USPUFGUSXZUQRF-QFIPXVFZSA-N 434.588 3.229 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccc3nonc3c2)n1CCc1ccccc1 55089331 XQOOFMWWDVJRSD-UHFFFAOYSA-N 439.541 3.088 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)cc1 169750951 NFHAGDSUMXHTOS-UHFFFAOYSA-N 445.523 3.058 0 50 IGAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(Cl)c4)ccn3n2)cc1 169775852 LNHXETFZUGCZDX-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA C[C@@H](CCc1cccc(F)c1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225716394 WBVHWCXEIVNHJB-GHTZIAJQSA-N 444.522 3.367 0 50 IGAA C[C@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 433472456 WFFUPDWGDIWIOS-OLZOCXBDSA-N 434.331 3.412 0 50 IGAA O=C1[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)CCN1c1cccc(OC(F)(F)F)c1 497484255 WAWFMOLLGQMQIL-ZACQAIPSSA-N 427.423 3.044 0 50 IGAA CC1(C)NC(=O)N(c2cccc(NC(=O)c3cccc(C(=O)N4CCCCC4)c3)c2)C1=O 1459619191 SWJXXBDHUJLBLG-UHFFFAOYSA-N 434.496 3.400 0 50 IGAA COc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)NC3)C2)cc1Oc1cc(F)cc(CN)c1 1857675632 BPNKLRGNZYFVRV-DEOSSOPVSA-N 441.503 3.218 0 50 IGAA Cc1nc(C(C)C)oc1C(=O)NC1CCC(NC(=O)c2cc(Br)n[nH]2)CC1 2325823887 HORWVKKWCZGSPL-UHFFFAOYSA-N 438.326 3.063 0 50 IGAA O=C(N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1ccccc1Cl 2863541 MORJRUUPACWJBP-GOSISDBHSA-N 425.794 3.123 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 2982617 UPYMAGQELCQWIP-AWEZNQCLSA-N 442.990 3.412 0 50 IGAA COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC 3872168 XBRXTUGRUXGBPX-SJORKVTESA-N 437.500 3.096 0 50 IGAA in-vitro COc1cc(NS(=O)(=O)c2ccc(C(=O)OCOC(C)=O)cc2)c2nc(C)ccc2c1 6057202 ZCVIWNFCXWULOJ-UHFFFAOYSA-N 444.465 3.030 0 50 IGAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)/C=C/c1cccc(Cl)c1)C2 11975177 SWDZXHWGFUMZIP-BQYQJAHWSA-N 447.988 3.471 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N[C@H](C)c3nc(C)cs3)CCC(=O)N2)cc1OC 12097188 CRMJBPOYZJCCBV-QRQCRPRQSA-N 431.558 3.318 0 50 IGAA COC(=O)CCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 12749089 OYADEQILIZAWIV-UHFFFAOYSA-N 436.936 3.335 0 50 IGAA CCn1cc(CNC(=O)CC[C@]2(Cc3ccc(OC)c4ccccc34)CCC(=O)N2)cn1 14884761 NNJUCXRVFFBVBI-RUZDIDTESA-N 434.540 3.353 0 50 IGAA Cn1cc(CN(CCO)[C@H]2CCS(=O)(=O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 14975875 GKSRAKRAFZIXCO-QFIPXVFZSA-N 431.602 3.116 0 50 IGAA O=C1NCCN(Cc2cccc3ccccc23)[C@H]1CC(=O)N1CCC(N2CCCCC2)CC1 15067173 QUEZGLOPJKZHMZ-VWLOTQADSA-N 448.611 3.007 0 50 IGAA CCOC(=O)C1(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 15070053 NDXIZDUCXDNYCK-UHFFFAOYSA-N 444.553 3.222 0 50 IGAA Cc1ccn(CC(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 55308752 QSMWYOACRZGQHO-HXUWFJFHSA-N 435.494 3.024 0 50 IGAA O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772823 NGLGCSPAPAZXPL-VIFPVBQESA-N 446.330 3.262 0 50 IGAA COC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 225530398 KVYCJCHEYHYWPV-UHFFFAOYSA-N 431.253 3.026 0 50 IGAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239025295 BJBDAEZKFMEYKA-UPPUMSJSSA-N 448.302 3.161 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1cccs1 239173995 PBQPCELQWIIZJM-PXQWOVGCSA-N 433.485 3.345 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccc(O)c3)CC2)cc1 245256953 UNVVVPBSCIOBHU-QAQDUYKDSA-N 445.541 3.074 0 50 IGAA Cc1cnn(CCc2nc(C(C)(C)S(=O)(=O)c3ccc(Br)cc3)no2)c1 253395092 LXTJVGRLJRIXHE-UHFFFAOYSA-N 439.335 3.289 0 50 IGAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253408864 LDPNVUXAOIPTBV-LGGPRVQUSA-N 449.580 3.494 0 50 IGAA biogenic COc1cc(-c2onc(N(C)C)c2C(=O)NCC2(O)C3CC4CC(C3)CC2C4)ccc1F 1704316139 WTHSJKBXNFDWJL-UHFFFAOYSA-N 443.519 3.472 0 50 IGAA CC(=O)N1[C@H]2CC[C@@H]1C[C@]2(Cc1cscn1)C(=O)NCc1ccccc1-n1ccnc1C 1704325729 QCHZVLOQKPTIPW-SFLYRZDNSA-N 449.580 3.266 0 50 IGAA CCOc1ccccc1-c1cc(C(=O)Nc2ccc(CN3CCN(C4CC4)CC3)cn2)n[nH]1 1875264915 JFKRWZXCHKGGES-UHFFFAOYSA-N 446.555 3.403 0 50 IGAA O=C1CC[C@@H](CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)CCN1 1875315545 ZGGXTUDIRQPLHK-MRXNPFEDSA-N 437.569 3.269 0 50 IGAA COc1ccc(-c2ncc(C(=O)N3C[C@@H]4COC[C@]4(C(=O)OC(C)(C)C)C3)s2)cc1 1875340379 YLQKCGZZWHXADH-IVZQSRNASA-N 430.526 3.249 0 50 IGAA NC[C@@H]1CN(C(=O)CCOc2ccc(Br)cc2F)CC[C@H]1C(F)(F)F 2325862978 PCLNRSJNGUPLSP-ZYHUDNBSSA-N 427.236 3.343 0 50 IGAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 655117 OXZZRVMSLYOBGW-GFCCVEGCSA-N 427.320 3.251 0 50 IGAA O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 1057936 ZLMRRVFARULALV-UHFFFAOYSA-N 446.492 3.226 0 50 IGAA CC1(C)Cc2nc3sc4c(SCC(=O)N5CCOCC5)ncnc4c3cc2CO1 1067288 LMUMHTRGXUCHBL-UHFFFAOYSA-N 430.555 3.042 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccco1 9030362 SFUDXKHEGHPDSP-GANRHZMWSA-N 446.887 3.184 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)c1 10059467 UKCLMMVKQVZDDL-SFHVURJKSA-N 436.574 3.111 0 50 IGAA C[C@H](Cc1cccnc1)N1CCC2(CC1)C[C@H]2C(=O)NCCc1nc2ccccc2n1C 12151135 BJHGOCISGGDAHP-CTNGQTDRSA-N 431.584 3.360 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 12705571 AONYOLXNGZFVRS-QHCPKHFHSA-N 447.553 3.281 0 50 IGAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 14750912 OPYQXJXIRJUICO-LJQANCHMSA-N 431.577 3.027 0 50 IGAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCC(C)(C)CN(C)C)c3C)ncc1CC2 14976439 QAIPYOZOBSBIBZ-UHFFFAOYSA-N 448.571 3.063 0 50 IGAA CCNS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(CC[C@H](C)c1ccccc1)C2 14991373 NOJFTYKQLZXMGR-HNNXBMFYSA-N 436.599 3.385 0 50 IGAA Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)s1 19147342 FFDAISVWVXKQRC-IBGZPJMESA-N 426.586 3.433 0 50 IGAA COc1ccc(OC)c(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1 19789697 RGKWZGIEGKYJJZ-QFIPXVFZSA-N 428.573 3.398 0 50 IGAA O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 169758663 ZJLADEQKJONFED-HXUWFJFHSA-N 442.947 3.186 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 226932160 DFAXQDXNKHEZMB-SUWCGCSTSA-N 443.837 3.049 0 50 IGAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 248244398 GFRRJAZCKOUIKD-VQIMIIECSA-N 443.573 3.253 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 253387492 XZBJWQVUKIIGEX-VMXMFDLUSA-N 436.533 3.243 0 50 IGAA CCCON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254823731 YFBALXAIKASPIP-BPOMASCZSA-N 427.111 3.004 0 50 IGAA Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 462543526 ACCZBZUJZOMZEE-UHFFFAOYSA-N 434.525 3.145 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1=O 772538783 AGHIIODSNURKDC-IFZRMHHFSA-N 439.515 3.451 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc3nc(C)sc3c2)cc1OC 1529173538 YGCFOSGZEPZSSD-TZIWHRDSSA-N 428.510 3.197 0 50 IGAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc(OC)c1OC 706357 NGMJGZCWBCTJCM-HXUWFJFHSA-N 426.469 3.126 0 50 IGAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 718600 VNPAVEIXUVXCFT-UHFFFAOYSA-N 434.790 3.475 0 50 IGAA Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1C 6391349 ROQJNYJRCGRMLL-UHFFFAOYSA-N 427.570 3.050 0 50 IGAA COc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1OC 9287124 XYYGCNIYDVMWPV-UHFFFAOYSA-N 445.475 3.117 0 50 IGAA Cc1cccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)n1 11816126 BXQRORGBIHZSRS-UHFFFAOYSA-N 433.512 3.471 0 50 IGAA Cn1cc(CN[C@@H](CCn2cncn2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 12592307 FCIUMJWSBOMNGU-NRFANRHFSA-N 430.512 3.371 0 50 IGAA CSCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O 13130292 VLIWHTWSSNJBDO-CLEQQJOVSA-N 432.929 3.433 0 50 IGAA CCN(CC)C(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O 14882083 JCPLZWFNTYFIJJ-UHFFFAOYSA-N 446.551 3.206 0 50 IGAA CN(C)c1nc2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=O)c1cncs1)OCO3 20204432 AHQUSPTYKHNFBU-INIZCTEOSA-N 440.525 3.307 0 50 IGAA COc1ccc(Cl)cc1C(=O)NCc1nnc2cc(-c3nc(C(C)C)no3)ccn12 169776273 AUYUPBAFDRTZKB-UHFFFAOYSA-N 426.864 3.495 0 50 IGAA CC(C)(C)CC[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)C(N)=O 225604922 OIPQOPJQLZLPQU-MRXNPFEDSA-N 445.633 3.494 0 50 IGAA COC(=O)c1cn(-c2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)cc2c(=O)[nH]nc1-2 253415035 ZKTFFGAVXJLVJD-UHFFFAOYSA-N 428.448 3.235 0 50 IGAA O=C1N[C@@H](CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587981 NSTGDDGPHCMWBV-VQTJNVASSA-N 431.496 3.147 0 50 IGAA Cc1noc([C@H]2CCCN(c3nc(N4CCC[C@@H](c5nc(C)no5)C4)ncc3Cl)C2)n1 302003600 YLNJRKVSHZFHKG-LSDHHAIUSA-N 444.927 3.281 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 463086678 JBNQAFUGSJDTDN-PWRODBHTSA-N 446.469 3.395 0 50 IGAA COc1cc(OC)cc([C@H](O)CNC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 778329035 SCXTWIOGOHCJCM-PIGZYNQJSA-N 429.439 3.033 0 50 IGAA CN1CCC[C@H](c2nnc3sc(-c4ccc(I)cc4)nn23)C1 823771427 GSTTZBUANCZTHP-NSHDSACASA-N 425.299 3.267 0 50 IGAA C=CC(=O)N1CCC(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)(c2ccccc2)CC1 1295418393 AJFUWBUYEXREGN-UHFFFAOYSA-N 434.462 3.144 0 50 IGAA Cc1noc(-c2ccc(S(=O)(=O)N[C@@H]3CCCN(C(=O)c4cccs4)C3)o2)c1C 1506418473 IDTVFTBZNIQGBR-CQSZACIVSA-N 435.527 3.196 0 50 IGAA COc1nc2c(cc1CN1C[C@H](O)[C@H](Cc3ccnc4ccccc34)C1)C(=O)N(C(C)C)C2 1529104704 SFZYEXKMJDDLMJ-KOSHJBKYSA-N 446.551 3.038 0 50 IGAA COc1cc(C)cc2c(C)c([C@H](C)NC(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)oc12 1875391818 CCQGRGYBAPRGTF-XUWXXGDYSA-N 439.516 3.346 0 50 IGAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCCC[C@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325898040 QFNGXWTZGSQUCB-LEWJYISDSA-N 446.507 3.207 0 50 IGAA COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl 870047 QPRXTCQDKWDJHU-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1cccs1 2172689 STAIDOUSBWOLLZ-UHFFFAOYSA-N 435.552 3.145 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2)cc1C 2871391 BEPFNERENGGMDO-UHFFFAOYSA-N 430.570 3.453 0 50 IGAA CCN1C(=O)C[C@](CC(=O)N2CCCC[C@H]2COC)(c2cccc(C(F)(F)F)c2)C1=O 11840023 FOSZTAKKFIHUEF-UWJYYQICSA-N 440.462 3.140 0 50 IGAA CC(C)CNC(=O)[C@H]1CCCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)C1 11913537 QQEFHLVTKXQJAL-HOTGVXAUSA-N 440.569 3.489 0 50 IGAA CCOC(=O)C1(Cc2ccccc2)CCN(S(=O)(=O)c2cccc(NC(C)=O)c2)CC1 12075655 XJUXKKYYQIEYGK-UHFFFAOYSA-N 444.553 3.222 0 50 IGAA COc1cc(CNCCCn2ccnc2)ccc1OC[C@@H](O)CN1CCCCCCC1 12303040 SFFAQBGKDHLWDP-QFIPXVFZSA-N 430.593 3.077 0 50 IGAA Cc1ncsc1CCC(=O)N1CC(=O)N(C(C)C)C[C@@H](OCc2ccc(F)cc2)C1 14537315 BRHOWWSFHZOODD-IBGZPJMESA-N 433.549 3.188 0 50 IGAA CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2Br)CC1 16393849 ZDORLXXGBZQJMO-UHFFFAOYSA-N 433.375 3.328 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239439982 ZZTQHWCRWRIIJJ-LEVLTZGLSA-N 429.314 3.138 0 50 IGAA O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccccc2F)CC1 263615876 FRCSKEMUAHRGIJ-HXUWFJFHSA-N 441.894 3.305 0 50 IGAA CN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 299781203 OGFWCHGRQSDWNJ-UHFFFAOYSA-N 428.540 3.083 0 50 IGAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cnc3ccccc3c1)CC2 299784204 WWZAYDRWKSSUOT-IBGZPJMESA-N 429.524 3.481 0 50 IGAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCCN(c2ccccc2Cl)C1 426021513 NXCVVYKOGDHWGW-OPZGUEJKSA-N 427.976 3.117 0 50 IGAA CCC(=O)NCc1cc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)ccc1OC 443786531 ZPWVBWJSYCGPPX-QGZVFWFLSA-N 437.587 3.184 0 50 IGAA NC(=O)COc1cccc(CNC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 475260214 AUSGNVUXPZFYAA-UHFFFAOYSA-N 440.887 3.500 0 50 IGAA C[C@H](O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@@H](C)C1 476863457 XEHIWGPCBOCRAT-OALUTQOASA-N 436.531 3.134 0 50 IGAA CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccnc(Oc4ccccc4F)c3)ccc21 486824131 QHNUQJLCLKKDHE-UHFFFAOYSA-N 441.484 3.401 0 50 IGAA CS(=O)(=O)N1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)Cc2ccccc21 497484802 FFPODRBWTPGEBA-UHFFFAOYSA-N 445.522 3.015 0 50 IGAA Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4nnc(C(C)C)s4)C3)no2)cc1 1857712583 DNVCXHSDRFJPNV-OAHLLOKOSA-N 425.514 3.294 0 50 IGAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(I)cc2)n1 10077349 GRUJYKXXDJPIFF-UHFFFAOYSA-N 429.283 3.058 0 50 IGAA CCN(Cc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)c(OC)c1)Cc1cnn(C)c1 11814536 BZTBPGRTYGODNF-QHCPKHFHSA-N 444.620 3.455 0 50 IGAA CCS(=O)(=O)Nc1cc(C(=O)NCc2cccnc2)c2c(c1)nc(-c1ccccc1)n2C 12055011 KNTKPVZLQSDSEP-UHFFFAOYSA-N 449.536 3.327 0 50 IGAA CN(CCc1ccccc1)[C@H]1CCc2c(sc3ncn(Cc4cnn(C)c4)c(=O)c23)C1 12131282 PIEJGNPWJZDMBZ-IBGZPJMESA-N 433.581 3.272 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O 12156102 AJRIVPUTANIAJZ-UHFFFAOYSA-N 445.519 3.413 0 50 IGAA COCCN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)C(C)C 12305452 NFMLWQUOSSQVMT-UHFFFAOYSA-N 441.620 3.282 0 50 IGAA COc1cccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1OC 19854058 JIBRFIWMISIGSX-UHFFFAOYSA-N 426.538 3.364 0 50 IGAA O=C(CC1=CCCCC1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23357982 VYAKLMLQTXBCCO-QFIPXVFZSA-N 425.573 3.414 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C2=C1C(=O)OC2 169758195 JCTHXZQBFRNPOI-QFIPXVFZSA-N 435.480 3.218 0 50 IGAA O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H]1CCC(F)(F)C1 225480940 BQIHSYHDXJVASQ-LLVKDONJSA-N 429.261 3.377 0 50 IGAA O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N[C@H]1CC(=O)N(CC(F)(F)F)C1 230215095 VNAFBNCKDKUQOD-LZULQBLISA-N 437.300 3.390 0 50 IGAA CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cnc4ccc(F)cc4c3)CCCC2)no1 253418750 QXDXGKRJSSXETN-UHFFFAOYSA-N 447.536 3.347 0 50 IGAA COc1cccc(C[C@H](C2CCN(C(=O)Cn3ccnc3)CC2)N(C)C(=O)CC(C)C)c1 299765713 CCCMPCKFHGPYPG-HSZRJFAPSA-N 440.588 3.246 0 50 IGAA COc1cccc([C@@]2(CC(=O)N(C)Cc3cc(-c4ccccc4)on3)CC(=O)N(C)C2=O)c1 299767287 QNIQOFTYKVXMQO-RUZDIDTESA-N 447.491 3.025 0 50 IGAA O=C(c1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 299775300 IAPVXTUFSVHANO-UHFFFAOYSA-N 435.450 3.400 0 50 IGAA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1 1051073 JIXWFYMTDPMPEQ-UHFFFAOYSA-N 429.904 3.422 0 50 IGAA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 1072404 WAYNXEFPPYYIKP-LBPRGKRZSA-N 436.249 3.291 0 50 IGAA Cc1cc(C)cc(N(CC(=O)NC[C@@H](O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 4019020 OIOBYFMUFLYXMW-HSZRJFAPSA-N 438.549 3.349 0 50 IGAA COc1cccc(C[C@@H](C2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)c2ccn(C)n2)c1 11783574 RJUXZHWPURNESD-QHCPKHFHSA-N 440.588 3.397 0 50 IGAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)CCc3ccccn3)c2C)n1 12078184 FMAZKICHKPUZFC-UHFFFAOYSA-N 428.496 3.356 0 50 IGAA CCN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 12299857 XSWMHQJOYGZNNV-UHFFFAOYSA-N 429.590 3.269 0 50 IGAA CCCCn1c(CN(C[C@@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)CCCC(C)C 12316531 JEHRFHSVYBJSIH-IBGZPJMESA-N 440.654 3.382 0 50 IGAA COc1cc(CNCCc2ccccn2)ccc1OC[C@@H](O)CN1CCCCCCC1 12429983 OUFLVMGZICPJJG-QHCPKHFHSA-N 427.589 3.428 0 50 IGAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 16626292 FEKOAWFBOGANOO-AWEZNQCLSA-N 442.368 3.247 0 50 IGAA CCOc1ccc(CN2CCN(Cc3cccn3-c3nccs3)C[C@@H]2CCO)cc1 19745271 IDUIEPVTHVMDPL-FQEVSTJZSA-N 426.586 3.401 0 50 IGAA COc1ccc(OCc2ccc(-c3nnc(S)n3CCCN3CCOCC3)o2)cc1 20028587 DQOMTHBIZNRSBM-UHFFFAOYSA-N 430.530 3.137 0 50 IGAA C[C@@H](C1CCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)CC1)N1CCOCC1 20455818 IDUSFYFVFVZLON-IBGZPJMESA-N 433.556 3.053 0 50 IGAA CC(C)N[C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2ccc(Cl)cc2)C1 20598725 PDOPAADJAWGLRI-SFTDATJTSA-N 443.975 3.369 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](OCc3ccncc3)C2)c2ccccc12 225548323 HQBZILKGYNAIFL-GOSISDBHSA-N 425.510 3.173 0 50 IGAA COCc1c(C(=O)NC[C@H]2OCCc3ccccc32)cnn1-c1nccc(-c2ccco2)n1 299783526 ZWOKBLJCJFPNMI-JOCHJYFZSA-N 445.479 3.113 0 50 IGAA CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 747147407 ZZUIIYKEBMRCKQ-CAUSLRQDSA-N 434.536 3.465 0 50 IGAA Cc1nc(S(=O)(=O)N[C@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cn1C 1875253426 VEIIXUQCXXQVIL-LLVKDONJSA-N 427.452 3.281 0 50 IGAA CS(=O)(=O)Nc1cccc(NC(=O)c2cc3cc(C(F)(F)F)ccc3c(=O)o2)c1 1875342520 VIKXFNNZNIAYKC-UHFFFAOYSA-N 426.372 3.436 0 50 IGAA Nc1cncc(C(=O)N2CC([C@H]3CCCCN(C(=O)c4ccc5cccnc5c4)C3)C2)c1 1875361636 XMFLEDDGEJIYPM-IBGZPJMESA-N 429.524 3.227 0 50 IGAA COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1778317 XUUOEYYAROCXIJ-UHFFFAOYSA-N 442.497 3.084 0 50 IGAA COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C 9262776 FOUSBIWHXJFEHP-UHFFFAOYSA-N 443.504 3.265 0 50 IGAA COc1ccccc1CN1C[C@H](Sc2ccccn2)C[C@H]1C(=O)N(C)Cc1ccon1 11788835 PAFOHPRUBBORAU-UXHICEINSA-N 438.553 3.472 0 50 IGAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)Cc2c(C)noc2C)C1 12057336 BRJUXEPPGABYSP-NRFANRHFSA-N 442.604 3.145 0 50 IGAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)c1cc3ncccn3n1)C2 12078438 YNKYLCLAWCDSET-QGZVFWFLSA-N 442.475 3.225 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(OC)cc2F)CC1 12433197 VQTVDABZXJWJLB-UHFFFAOYSA-N 446.519 3.263 0 50 IGAA COC(=O)c1cc(CNC(=O)c2cccc(Cl)c2)cc(NC(=O)c2cc(C)nn2C)c1 14882891 CGBBDVBBWXFELA-UHFFFAOYSA-N 440.887 3.351 0 50 IGAA CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1 16163182 UISWVUSTRQMHKY-UHFFFAOYSA-N 446.754 3.354 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(Br)c1 16225446 BGTHFTVIPYCZJZ-UHFFFAOYSA-N 449.436 3.397 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@H]4CC)CC3)c2c1 20573281 HTSGKUIOQGVHAD-HXUWFJFHSA-N 441.572 3.100 0 50 IGAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 44902301 JDCAUFLZTSWVLT-UHFFFAOYSA-N 426.879 3.052 0 50 IGAA CCOC(=O)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 225591593 BDYSVJDPMJKCIV-HXUWFJFHSA-N 432.432 3.110 0 50 IGAA COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)cc1 239402780 RDBYOWCGEUWIQO-KKFDQILXSA-N 442.471 3.283 0 50 IGAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1 245312064 SBHPYWUIZUXOQZ-IVAOSVALSA-N 436.895 3.378 0 50 IGAA Cc1cc(NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C(C)C)no1 390832706 KZGRDOUIPAWVCK-SFTDATJTSA-N 435.480 3.661 0 50 IGAA O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 1326836118 PPCDBVBXSKQOOV-CALCHBBNSA-N 446.492 3.131 0 50 IGAA COc1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1Oc1cccc(OC)c1CN 1857682189 RQDNZDDGRTXKCN-UHFFFAOYSA-N 437.500 3.093 0 50 IGAA C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](OCc2ccccc2)C1 1875341121 HEHXMVXANUXBOS-RHSMWYFYSA-N 426.908 3.138 0 50 IGAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 671105 WGNPDVGWDNOFQR-UHFFFAOYSA-N 426.498 3.220 0 50 IGAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1054188 BVUGBEKKCMCNEF-UHFFFAOYSA-N 437.880 3.062 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ncc(C)s1 2826879 WPQJKWDRWOBDCJ-UHFFFAOYSA-N 430.559 3.032 0 50 IGAA O=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21 2876136 GWERRMPVBJOLKR-UHFFFAOYSA-N 428.286 3.197 0 50 IGAA COCc1c(C(=O)N(C)C[C@H](O)c2ccccc2)cnn1-c1nccc(-c2cccs2)n1 12148840 PHNSKDGEXCEMTJ-FQEVSTJZSA-N 449.536 3.343 0 50 IGAA COCC(=O)Nc1cnn(-c2ccc(C(=O)N[C@@H](C)c3cnn(-c4ccccc4)c3)cc2)c1 12457481 SZHHERNVUYCIFZ-KRWDZBQOSA-N 444.495 3.134 0 50 IGAA CCNC(=O)c1cn(Cc2cccc(OC)c2)cc(C(=O)N2CCCC[C@@H]2CC)c1=O 14959350 GPEZRBSXOURSTF-SFHVURJKSA-N 425.529 3.060 0 50 IGAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCc4ccncc4)c3C)n2)c1 14997714 KXSDLAYGCPFZAY-UHFFFAOYSA-N 444.495 3.022 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NCc3ccc(-n4cccn4)cc3)CCC(=O)N2)cc1 15000378 REEFYBDFHZAXIT-RUZDIDTESA-N 432.524 3.169 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccc4nonc4c3)CC2)c(Cl)c1 55073703 UNZACZCZUPZQQE-UHFFFAOYSA-N 444.919 3.296 0 50 IGAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 253389834 OITGREQAXLVEJB-KEXUJGGDSA-N 439.874 3.219 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 334159678 IXLFYPLDMWWGNU-MFSJNOQSSA-N 427.545 3.169 0 50 IGAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1C[C@@H](n2cccn2)Cc2ccccc21 464419893 LMQMXGMQZNTDOC-FQEVSTJZSA-N 436.537 3.112 0 50 IGAA Cc1c(Cl)cc(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl 952863777 WIUVRVGHRWUAFH-UHFFFAOYSA-N 434.389 3.180 0 50 IGAA COc1cccc(C(=O)N2CCN(C(=O)CCc3c[nH]c4cccc(C)c34)CC2)c1OC 1875261629 ATINXOFOZQSJCZ-UHFFFAOYSA-N 435.524 3.411 0 50 IGAA COc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC 2533593 INYRIYZLVZKPTO-MHWRWJLKSA-N 444.310 3.145 0 50 IGAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)ccc1O 4143868 MJZCHUYGOTXWQZ-VKJFTORMSA-N 444.793 3.158 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)nc(OC)n1 4647405 SPISSLNVUWNROL-UHFFFAOYSA-N 445.526 3.104 0 50 IGAA COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 6267548 HLWTYYWDQPIMSB-UHFFFAOYSA-N 433.313 3.179 0 50 IGAA O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)nn1 11910897 FADXFKGAZLADIK-INIZCTEOSA-N 431.924 3.170 0 50 IGAA COC(=O)c1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1 19301062 UBSCSPDYDZNQKM-UHFFFAOYSA-N 437.471 3.420 0 50 IGAA COc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccc(C)cc1 95936921 KERLBPDHIGHFCM-UHFFFAOYSA-N 428.251 3.195 0 50 IGAA COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 98052524 OBSYBRPAKCASQB-BGOBZUQBSA-N 432.469 3.000 0 50 IGAA in-vitro O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772527 CZQRTKLPZPSVDZ-UHFFFAOYSA-N 447.505 3.493 0 50 IGAA c1ccc([Sn]2(c3ccccc3)c3ccccc3Oc3ccccc32)cc1 169816814 MVSXBAGZWIRIGV-UHFFFAOYSA-N 441.118 3.170 0 50 IGAA COc1ccc([C@@]2(CC(=O)N3CCCC[C@@H]3c3ccccn3)CC(=O)N(C3CC3)C2=O)cc1 299755664 GNDXTNRFKKENIC-ATIYNZHBSA-N 447.535 3.393 0 50 IGAA O=C(N[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1)c1cc2ccccc2o1 447201253 SPRUFFXXOXAIFV-ZDUSSCGKSA-N 430.390 3.288 0 50 IGAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 730409145 VNIYXNLAIYCNNW-QMMMGPOBSA-N 427.322 3.395 0 50 IGAA O=C1C[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)CN1Cc1cccnc1 952988198 BYZOXNKOBLVMKG-QFIPXVFZSA-N 443.551 3.150 0 50 IGAA O=C(c1n[nH]c2c1CCC2)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857701842 RGOPLAKZNWGLDR-IBGZPJMESA-N 436.556 3.137 0 50 IGAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2cnc3c(c2)CCCC3)CCCN1 2356162957 VMOFLGYLQQSLGB-XMMPIXPASA-N 434.584 3.424 0 50 IGAA NC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1173327 HMRCVWNDEXLXJC-UHFFFAOYSA-N 443.912 3.273 0 50 IGAA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1[nH]cnc1C(=O)N1CCOCC1 4066918 SFWXWBXFNNNPGQ-UHFFFAOYSA-N 438.871 3.019 0 50 IGAA O=C(NC1CCCCCCC1)c1cn(C[C@H]2CCCO2)cc(C(=O)N2CCCC2)c1=O 11968679 QGPLIHLIVYFLRS-LJQANCHMSA-N 429.561 3.106 0 50 IGAA Cc1noc(C)c1C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12316061 IKZWKUJRHBUSKU-UHFFFAOYSA-N 437.500 3.373 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 12457373 JNVQSZZTHXCMMO-XMMPIXPASA-N 426.513 3.029 0 50 IGAA CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1 14882927 ZZFWNPCYIVZFTE-JOCHJYFZSA-N 440.544 3.269 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772948 NOXVUXBCFZBHPK-JTQLQIEISA-N 443.257 3.046 0 50 IGAA O=C(NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1cccc(OC(F)F)c1 225321318 BZTSCKFYAOXKJV-ZWKOTPCHSA-N 430.455 3.008 0 50 IGAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3ccccc3)no2)CC1 252483920 FKZIXOTUGPHALK-UHFFFAOYSA-N 427.482 3.076 0 50 IGAA CSCC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C 252522867 BIHHTKSELLJWDS-MAUKXSAKSA-N 426.542 3.125 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)C2(CCCCC2)O1 299763022 ZBVOYMOSGHBQKZ-LEWJYISDSA-N 438.568 3.240 0 50 IGAA C[C@@]1(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)NC(=O)N(Cc2ccsc2)C1=O 299772453 YDQQKOLQDVZTMD-QHCPKHFHSA-N 449.536 3.054 0 50 IGAA CC(C)c1nn(C)c2sc(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)cc12 427279746 GFOWOAWHPHOZGQ-UHFFFAOYSA-N 426.608 3.081 0 50 IGAA Cc1cc(F)c2nc(O)cc(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c2c1 487716261 QLICVQBONOMNFB-UHFFFAOYSA-N 446.482 3.396 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)cc1 749426252 DZOBTFWAESFMOH-UHFFFAOYSA-N 430.464 3.288 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccco3)CCN(Cc3ccccc3)CC2)o1 1776111895 WGQRULAHVZCCGV-UHFFFAOYSA-N 436.508 3.487 0 50 IGAA COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1ccc2c(c1)CCO2 1875253315 MYQDTZKUXIDPEM-CYXJOQHWSA-N 437.492 3.341 0 50 IGAA COc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1Cl 622244 VJGCCJFONFGOQR-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC 655246 XYSPDAMIRDYXCD-HXUWFJFHSA-N 427.526 3.452 0 50 IGAA Cc1ccc(Cn2c(Br)nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)cc1 863257 HZHQCTCSFJORAL-UHFFFAOYSA-N 439.313 3.064 0 50 IGAA COc1ccc(C(=S)N2CCOCC2)cc1OS(=O)(=O)c1ccc(Cl)cc1 2142347 KLTRPGIILIVXQK-UHFFFAOYSA-N 427.931 3.124 0 50 IGAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@H](O)CN1CCCCCCC1 11839297 XKTGLPPVJVYDRD-HXUWFJFHSA-N 432.565 3.024 0 50 IGAA CO[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C1 11881459 OJJRNBYTBUERCA-SQJMNOBHSA-N 426.557 3.291 0 50 IGAA COc1cc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc(OC)c1 12100040 FTRNQFGMMUEVCY-VWLOTQADSA-N 437.540 3.127 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cccc(F)c3)CC2)cc1)N1CCC[C@H](O)C1 12243327 WIUWBCMTRXBIQS-DEOSSOPVSA-N 425.548 3.224 0 50 IGAA CCCc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3F)C2)n(C)n1 14533086 DBSBKMQYRRCPGV-HXUWFJFHSA-N 444.551 3.038 0 50 IGAA COc1cccc(CN2CCc3c(c(C(=O)NC4CC4)nn3Cc3cccc(OC)c3)C2)c1 14741510 MBTXTLLNWRWTRR-UHFFFAOYSA-N 446.551 3.399 0 50 IGAA COc1ccccc1CC(=O)Nc1cnn(CC(=O)NCc2cc3cc(F)ccc3[nH]2)c1 14972668 PCIUWRWSAKWDAY-UHFFFAOYSA-N 435.459 3.010 0 50 IGAA Cc1nn(C)cc1CN[C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 14994992 NAEBKFLFJNPMBO-IBGZPJMESA-N 445.592 3.487 0 50 IGAA CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)[C@@H]2CCCC[C@H]21 15023570 RCTJTKDCQITONR-AFAVFJNCSA-N 448.416 3.236 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1Cc1ccccc1 20998034 QNKPOMZWXJXIBT-FPOVZHCZSA-N 435.490 3.201 0 50 IGAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)N(c3ccc(OC)cc3)C2=O)cc1 170623887 WSBZUJQSNDGSBJ-KRWDZBQOSA-N 427.482 3.284 0 50 IGAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 263617069 LXKJQXXOOBLIDT-NRFANRHFSA-N 431.496 3.041 0 50 IGAA CC[C@@]1(c2ccc(NC(=O)c3cnn(C)c3Cc3ccccc3)cc2)CCC(=O)NC1=O 446100771 QHPXSPHGOXXDQU-VWLOTQADSA-N 430.508 3.348 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 653666 XQXZMRTZYFKKRF-VLOXRPPESA-N 443.528 3.280 0 50 IGAA O=c1c2cc3c(=O)n(-c4ccccc4Cl)c(=O)c3cc2c(=O)n1-c1ccccc1Cl 1175822 JOLBWDQIEJSDDC-UHFFFAOYSA-N 437.238 3.198 0 50 IGAA O=C1CN(C(=O)CN2CCCC2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 2849270 ICSHTXRWYANCFL-OAQYLSRUSA-N 428.330 3.415 0 50 IGAA COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(O)cc1[C@@H](NC(=O)C(F)(F)F)CC2 4583472 GZXFPMJSKAABTM-ZDUSSCGKSA-N 439.386 3.111 0 50 IGAA in-vitro CCN1CCN(C(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)CC1 5063091 KNOOKWRKRVUOIF-UHFFFAOYSA-N 429.586 3.047 0 50 IGAA COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CCN(CCc1ccccc1)CC2 11787571 LNLWHUNLOJJSGV-UHFFFAOYSA-N 449.526 3.027 0 50 IGAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(C(=O)c2cccc(C)c2C)CC3)CC1 11909650 NCIJTGYNABXYAH-OAQYLSRUSA-N 441.572 3.283 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCCCc2ccccc2)C4)cn1 12279648 GUGMBIDZCBLWQF-LJQANCHMSA-N 433.581 3.320 0 50 IGAA O=C1CN(C/C=C/c2ccccc2)C[C@@H](OCc2ccccn2)CN1CC1CCOCC1 14732488 MWNNLOIDEDXXDG-UPXASZCJSA-N 435.568 3.251 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)c1c(COC)n(CCc2cccc(Cl)c2)c(C)cc1=O 14963403 SNURHSCAWSCYFC-HXUWFJFHSA-N 445.991 3.413 0 50 IGAA CCn1c(CNC(=O)c2ccc(F)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 16361440 QDIHBGYSTGHNNJ-RHSMWYFYSA-N 433.553 3.154 0 50 IGAA Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c(=O)c2ccccc21 19148704 HREOYGLSWSZPSA-HNNXBMFYSA-N 430.430 3.351 0 50 IGAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 20272021 HJNHTWOPLWATFR-RUZDIDTESA-N 429.568 3.358 0 50 IGAA COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)CN1CCCN(C)CC1 20782536 HCWWFYHNUJPPNG-OAQYLSRUSA-N 448.007 3.016 0 50 IGAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 28349649 KTJKIOWZFACJIX-JRJYRQGGSA-N 447.645 3.152 0 50 IGAA biogenic COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(F)c(F)c2)CC1 67834404 RWAJEYWEXHTPJN-UHFFFAOYSA-N 434.483 3.393 0 50 IGAA C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170621514 QBUHMEOSCJEHJZ-RBUKOAKNSA-N 448.583 3.417 0 50 IGAA CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccccc2=O)[C@H](c2ccccc2Cl)C1 225741544 XUBJLCOZRJIARO-SFHVURJKSA-N 431.920 3.322 0 50 IGAA CC(C)=CCN1CCC2(CC[C@H](CNC3CCN(C(=O)c4cccnc4)CC3)O2)CC1 1506423934 YRPFYIFDOXMUAW-HSZRJFAPSA-N 426.605 3.256 0 50 IGAA NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)O1 1875261447 CCGRKDVRNCCVRM-SQNIBIBYSA-N 439.409 3.266 0 50 IGAA COc1c(F)cc(Br)cc1S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1 1875350512 QASCTNDEFWHFRD-UHFFFAOYSA-N 436.686 3.298 0 50 IGAA Cn1c(=O)c2c(nc(SCCc3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 634916 KVDWEXGOMRVWRU-UHFFFAOYSA-N 440.956 3.470 0 50 IGAA COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O 1165494 VZLCNECVCOVCLL-IBGZPJMESA-N 432.498 3.222 0 50 IGAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 9260970 SKMNSDGKUODECX-CRRKTRLDSA-N 440.477 3.302 0 50 IGAA Cc1cc(C)n2nc(C(=O)NC[C@@H](C)Oc3cccc(CN4CCSCC4)c3)cc2n1 12181863 XQNZXPJNMCQAJC-GOSISDBHSA-N 439.585 3.092 0 50 IGAA COc1cc(CN(C)Cc2cc(C)[nH]n2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12446080 NRZNGAHMCRLUSH-JOCHJYFZSA-N 430.593 3.363 0 50 IGAA COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@H](C)CC(C)(C)O)cc12 14537331 VTCMFZIFVUZFNV-OAHLLOKOSA-N 448.564 3.415 0 50 IGAA O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 226404997 ALETUIYAARVBEA-MAODMQOUSA-N 432.476 3.325 0 50 IGAA Cc1cccc(Cc2noc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)n2)c1 263615454 CLVFBACVKAKSFH-UHFFFAOYSA-N 445.454 3.125 0 50 IGAA C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1csc(CC(=O)Nc2ccccc2)n1 439952013 RUUUKIJGFBACGY-HNNXBMFYSA-N 444.582 3.165 0 50 IGAA C[C@H](CO)N1CCCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 470086327 ICABHTJUWCOFPC-YMVVMYQSSA-N 449.595 3.082 0 50 IGAA C[C@H](O)[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)OCc1ccccc1 817228264 LITWBIIUJLTWKF-LIRRHRJNSA-N 447.413 3.114 0 50 IGAA CN1CC[C@@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@@H](c2cnn(C)c2)C1 849549731 WELWUYSDCRYVKJ-RTBURBONSA-N 432.450 3.299 0 50 IGAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 952974598 JSVSYWZPDNKCKF-MRXNPFEDSA-N 437.525 3.326 0 50 IGAA Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NCc3nc(Br)n[nH]3)c2o1 1776111918 XOQKHPMCHXSDDM-UHFFFAOYSA-N 443.257 3.101 0 50 IGAA O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(I)cc1 1135704 RKVATWJZRHKJMY-UHFFFAOYSA-N 435.217 3.273 0 50 IGAA COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1I 2871473 HWMHPZDPGBWGKX-UHFFFAOYSA-N 429.345 3.110 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 11958042 APILOFCZBILFKB-HXUWFJFHSA-N 435.586 3.006 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)N(C)CCc2ccccc2)c1=O 12128700 RQSKRNLORPBSLM-UHFFFAOYSA-N 435.524 3.334 0 50 IGAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2cccc(OC)c2)C3)cc1 14753179 IHUOKSCVKQIERE-UHFFFAOYSA-N 448.567 3.403 0 50 IGAA Cn1cc(CCNC(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)cn1 14987140 UWSILZUQDNIFIG-SANMLTNESA-N 430.552 3.418 0 50 IGAA Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757872 OEYLWVGEKAFCQD-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 486566630 NWGIUUBLKFOIDY-UHFFFAOYSA-N 432.932 3.163 0 50 IGAA C[C@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C1(S(C)(=O)=O)CC1 816649613 DYOPAGQGJYHYDJ-JTQLQIEISA-N 442.297 3.482 0 50 IGAA O=C(C[C@@H]1CCNC1)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952865724 RAQRQGPCEPRQHM-QFIPXVFZSA-N 447.579 3.302 0 50 IGAA Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCc3c(sc4ncnc(N)c34)C1)CC2 1875261500 DYYLTYDERUJZOF-JTQLQIEISA-N 448.474 3.081 0 50 IGAA COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2OC)cc1Br 1160185 ZOXMFNOXKAMGRI-UHFFFAOYSA-N 439.287 3.291 0 50 IGAA COc1ccc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NCc2ccco2)cc1 2301603 ZRUGAXGKNHTFCE-MOSHPQCFSA-N 436.464 3.393 0 50 IGAA COc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2850723 JIUYALUPEKIZEJ-UHFFFAOYSA-N 433.511 3.360 0 50 IGAA CCCCOc1ccc(-c2nc3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n3n2)cc1 16699824 YDQLMSAKSLLBJS-XSFVSMFZSA-N 435.505 3.470 0 50 IGAA C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20311849 WKFIKLZPYDTLDV-HNNXBMFYSA-N 447.329 3.290 0 50 IGAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cnc(SC)nc3)CC2)c1 55054496 RJLUIKSYUZPXRR-UHFFFAOYSA-N 428.558 3.143 0 50 IGAA O=C(NCc1cccnc1)C1CCN(C2CCN(Cc3c(F)ccc(F)c3F)CC2)CC1 55198450 NAKIUFXQPLIDGX-UHFFFAOYSA-N 446.517 3.492 0 50 IGAA Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O 169757852 ZWFITNAUUJBEAS-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2Cl)cc1Br 226608690 VSQOTXBYWTYMIQ-TUVASFSCSA-N 436.693 3.014 0 50 IGAA COc1ccc(CCNC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1OC 229532812 BUOLAPDMVSAYCP-OPAMFIHVSA-N 432.948 3.478 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)Nc2nc3n(c2C(=O)c2ccc(OC)cc2)CCC3)cc1 782602452 ZVQLHQCBMOIBHZ-UHFFFAOYSA-N 444.491 3.123 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)NCC3CCCCC3)cc2)co1 1875252633 JJZWBYZRIPBFHH-OAQYLSRUSA-N 431.558 3.500 0 50 IGAA Cc1noc(C)c1[C@H](C)c1nc(-c2cccc(S(C)(=O)=O)c2)nn1CCCN(C)C 1875348750 BIMJOIOLPDAGLR-AWEZNQCLSA-N 431.562 3.057 0 50 IGAA Cc1ccc2c(C(=O)N=[S@@]3(=O)CCCN(C(=O)[C@H]4CCCOC4)CC3)csc2c1 2332238941 QXLQWFVGPGAHCO-GUNSETOZSA-N 434.583 3.477 0 50 IGAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4196664 ROTBZUNVROJEJF-UHFFFAOYSA-N 437.993 3.325 0 50 IGAA COc1ccc(-c2noc(CSc3nc(N)c(-c4ccccc4)c(=O)[nH]3)n2)cc1OC 8584501 DPULKEALEJMMGT-UHFFFAOYSA-N 437.481 3.379 0 50 IGAA Cc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)nc2s1 8605998 HGBVYIFAZGVVLZ-UHFFFAOYSA-N 426.498 3.335 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cccc(F)c3)CC2)cc1)N1CCC[C@@H](O)C1 12243326 WIUWBCMTRXBIQS-XMMPIXPASA-N 425.548 3.224 0 50 IGAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2 14732564 QNTYTWBUGRZZKO-UHFFFAOYSA-N 435.406 3.087 0 50 IGAA COCCN(C)C(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 14993867 KDNPRYZYWUIZMI-UHFFFAOYSA-N 444.557 3.390 0 50 IGAA Cc1ccc(C)c(-n2cc(CN3CCN(C(=O)c4nc[nH]n4)CC3)c(-c3ccccc3)n2)c1 15961668 CMJCPPZNHPQCPA-UHFFFAOYSA-N 441.539 3.232 0 50 IGAA O=c1/c(=C/c2ccc(Br)cc2)sc2nc3cc(Br)cnc3n12 16400481 SEEDBDJWYYWZNK-XGICHPGQSA-N 437.116 3.377 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c(OC)c1 65363778 RCJWAJIAYUXCGH-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA O=C1N[C@@H]2CS[C@H](CCCCC(=O)Oc3ccc(NC(=O)c4ccco4)cc3)[C@H]2N1 170631518 YMLXVSORCNABIJ-SUMDDJOVSA-N 429.498 3.163 0 50 IGAA CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)[C@@H]2O1 196322173 LVVPFDIKDGCSOA-BAGYTPMASA-N 426.585 3.009 0 50 IGAA COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)c(CO)c4c3=O)n2)cc1 263616895 LCDHLQRMKRXTTC-UHFFFAOYSA-N 443.463 3.071 0 50 IGAA O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 1326836119 PPCDBVBXSKQOOV-IAGOWNOFSA-N 446.492 3.131 0 50 IGAA O=C1C[C@H](c2ccc3ccccc3c2)NC(=O)N1CCCN1CCN(c2ccncc2)CC1 1875320043 DNMPPIIFAWYCRO-XMMPIXPASA-N 443.551 3.430 0 50 IGAA O=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1875329885 ILFXWQXRXVKSQN-AAEUAGOBSA-N 435.368 3.461 0 50 IGAA C[C@@H](Cn1cc(Cn2cc(C(=O)O)c3ccccc32)nn1)NC(=O)c1ccccc1Cl 1875356001 QTAPYMKEAZHKPY-AWEZNQCLSA-N 437.887 3.451 0 50 IGAA COC(=O)c1cc(C(=O)OC)cc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)c1 1435544 LREZBYKVNJGODA-UHFFFAOYSA-N 446.415 3.435 0 50 IGAA CC[C@]1(C2CCN(Cc3ccc(O)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O 12162294 SLEZKUKRZWESJR-HSZRJFAPSA-N 442.585 3.312 0 50 IGAA CCOc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O 12412512 PNXRJXMXGGHESM-UHFFFAOYSA-N 444.491 3.202 0 50 IGAA CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1 13152889 DBAUJIASBCDHJW-UHFFFAOYSA-N 442.006 3.002 0 50 IGAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 13495497 CPQDBXXRQYOLSB-UHFFFAOYSA-N 426.922 3.049 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 35168665 ANWMHAXVGHCKOG-YMFQVDJJSA-N 436.508 3.246 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nn2)nc1 72434167 YSXFGYHVCIZEGB-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 229369993 ISFVIRXBOPZVPM-FPOVZHCZSA-N 436.556 3.099 0 50 IGAA Cc1ccc([C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)[C@@H](C)S(C)(=O)=O)cc1 241124213 JGLDUGMXUNUHLW-IIBYNOLFSA-N 426.542 3.376 0 50 IGAA COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC1(CCN(C(C)=O)CC1)CC3=O 253412705 RTJDDTVCDRVMIY-SFHVURJKSA-N 435.476 3.483 0 50 IGAA biogenic O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765615704 DARSGFSJRZQVDQ-GOSISDBHSA-N 434.414 3.305 0 50 IGAA C[C@@H](C(=O)NCc1nc(-c2ccccc2)cs1)n1cc(-c2ccnc(C(=O)O)c2)nn1 1875357042 YVOBNABXIOUERM-ZDUSSCGKSA-N 434.481 3.039 0 50 IGAA C[C@H](CCc1ccc2c(c1)OCO2)N=c1ccc2nnc(-c3ccc4c(c3)OCO4)n2[nH]1 2325730664 FLDLJPFXLYZDJV-CQSZACIVSA-N 431.452 3.104 0 50 IGAA CCc1nn(C)c(C(=O)N[C@H]2CN(C(=O)CO[C@H]3CCCC[C@@H]3CC)C[C@H]2C)c1Cl 2325829462 KPMRBFNSSJPNSF-FZCLSBEQSA-N 439.000 3.198 0 50 IGAA CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C(F)F)c1)c1ccccc1 2325869637 WTHLLESYEIBCNE-WOJBJXKFSA-N 429.467 3.109 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 653630 ZPCLJOBAZJMNTG-XGHXRCDJSA-N 442.924 3.353 0 50 IGAA Cc1ccc(-c2noc(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1 1125145 ILVRWPMGHFXCKI-UHFFFAOYSA-N 432.480 3.468 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 1139921 FFFYCRMIRCPWDP-HNNXBMFYSA-N 434.514 3.055 0 50 IGAA CCCCOc1ccccc1/C=c1/sc2nc(-c3ccccc3OC(C)=O)nn2c1=O 2365913 NYPUKKPHWGQSOV-XSFVSMFZSA-N 435.505 3.470 0 50 IGAA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@]1(NC(=O)c1cccs1)C(F)(F)F 2867206 BTVGVBAXAUDZND-IBGZPJMESA-N 438.427 3.268 0 50 IGAA COCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 2959590 YISAWDGXVRJTOP-UHFFFAOYSA-N 431.341 3.341 0 50 IGAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2scnc2C)CC1)c1ccccc1 12744796 ZFMFJTQOHVRBKI-IBGZPJMESA-N 439.541 3.452 0 50 IGAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C 14745610 VPUBCAXRVKYGGO-UHFFFAOYSA-N 431.540 3.311 0 50 IGAA Cc1[nH]c2ccccc2c1CN1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 20909099 MIEKCERQGUEXMF-KAYWLYCHSA-N 432.612 3.272 0 50 IGAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc1 23337821 AUOVYOAANFBFIJ-QGZVFWFLSA-N 445.566 3.049 0 50 IGAA Cc1nccn1CCCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 23338003 YYIXAKKFQQDHTF-UHFFFAOYSA-N 433.556 3.450 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc2c(c1)CCC2 169757870 XNKDANIZIIZZTM-NRFANRHFSA-N 437.883 3.345 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772947 NOXVUXBCFZBHPK-SNVBAGLBSA-N 443.257 3.046 0 50 IGAA COc1ccc(C2(C(=O)N3CCC(n4cc(-c5nc(C6CC6)no5)nn4)CC3)CC2)cc1 169780316 DSXSCLJVYHISSX-UHFFFAOYSA-N 434.500 3.109 0 50 IGAA O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 225408657 KJLKZUONPNCEJU-YUWJWYLASA-N 448.445 3.074 0 50 IGAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCN(c2ccc3nncn3n2)C1 231363912 XJFPWEGWVPIYIH-NSHDSACASA-N 425.802 3.197 0 50 IGAA CC(C)CN1C[C@@H](c2noc(-c3cc(Br)cc4nc(O)[nH]c34)n2)CCC1=O 1875270702 XCXXAGQBWIVZOT-JTQLQIEISA-N 434.294 3.443 0 50 IGAA Cc1cc(I)ccc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C 650012 BAYAOWAGNMTNPO-UHFFFAOYSA-N 448.717 3.422 0 50 IGAA Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)c1 1782749 VZRPYQUEJRDNSF-LEWJYISDSA-N 447.443 3.469 0 50 IGAA CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC 4764106 DRTXVFXWMAZLEV-LEWJYISDSA-N 426.513 3.372 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccccc1Cl 9339655 ANENLLUJFMXJCE-GTENMVSRSA-N 442.899 3.201 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(OC)c(O)c3)CC2)c(Cl)c1 11944239 FTTUYWRSIJCAOE-UHFFFAOYSA-N 448.947 3.474 0 50 IGAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCN1CCCO1 12197317 LQRKRDLCZAVCCC-UHFFFAOYSA-N 427.511 3.446 0 50 IGAA CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(C(=O)OC)cc3)CC2)C1=O 14754527 YZEDJYRMKQOMKR-UHFFFAOYSA-N 449.551 3.335 0 50 IGAA O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCc2ccccc2C1 19860190 UCIAJQRSDHGGDS-FQEVSTJZSA-N 432.973 3.467 0 50 IGAA Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757871 OEYLWVGEKAFCQD-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA Cc1sc2ncn(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(=O)c2c1C 218274829 KWNAROFTDATXEL-UHFFFAOYSA-N 431.945 3.238 0 50 IGAA Cc1cc(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)n(-c2ccccc2)n1 328589723 GZZQBBMGGFKCBA-UHFFFAOYSA-N 435.596 3.309 0 50 IGAA O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCCN(C(=O)c2ccccc2F)CC1 447191201 IQODTGJCHVRUSH-UHFFFAOYSA-N 448.498 3.416 0 50 IGAA Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)C2)c1 1356023024 CPFPICKGDVXAJF-IECBHUPTSA-N 449.551 3.362 0 50 IGAA O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCc1nnc2ccccn12 1772500481 GBOSFMGJTXRWJN-UHFFFAOYSA-N 431.540 3.385 0 50 IGAA Cc1cc(=O)c(O)c(-c2[nH]c(-c3cn(CC(N)=O)c4ncccc34)nc2-c2ccccc2)o1 1776111964 ZWXSGSCEDYMPQY-UHFFFAOYSA-N 441.447 3.213 0 50 IGAA CCn1nc(C)cc1C(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857688920 LVJVKCDNUIFWSZ-NRFANRHFSA-N 438.572 3.450 0 50 IGAA O=C(N[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1)c1cccs1 1875262064 SDYLZVGIAQLKLO-UYAOXDASSA-N 425.554 3.127 0 50 IGAA C[C@H](C(=O)N=[S@@]1(=O)CCCN(c2cncc(Cl)n2)CC1)c1ccc(F)c(F)c1 2332238201 FQSABHUAHJULHF-PSBQPLHCSA-N 428.892 3.417 0 50 IGAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)cc(OC)c1OC 623453 DELVMUPWFCJFST-UHFFFAOYSA-N 440.290 3.047 0 50 IGAA Cc1cc(=O)c(C(=O)NC[C@@H]2CCCO2)c(CCc2ccccc2)n1Cc1ccncc1 12152338 QYUKWPDUSDVJNP-QFIPXVFZSA-N 431.536 3.294 0 50 IGAA COCCCNC(=O)c1nn(C)c2c1CN([C@@H](C)Cc1cccc(C(F)(F)F)c1)CC2 14541318 QEDFSUCGCJJGBX-HNNXBMFYSA-N 438.494 3.195 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(CC)C1=O 14882500 CJSPTMPIVVRHKC-UTKZUKDTSA-N 440.462 3.140 0 50 IGAA CCOc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)cc1 14886175 DOVLLYIZFWEZCO-OAQYLSRUSA-N 426.561 3.071 0 50 IGAA O=C1N[C@@H](CC(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)c2ccccc21 14956366 LUWSNPPKLNRJRW-IBGZPJMESA-N 445.441 3.141 0 50 IGAA CCOCCCNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 15001103 RSKKITLKXHABNX-UHFFFAOYSA-N 447.539 3.470 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3n[nH]c4c3CCCCC4)CCC(=O)N2)cc1 15002529 DANRQNGGYYMUCD-VWLOTQADSA-N 438.572 3.317 0 50 IGAA O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1cccnc1 16624417 KPUSUSMOFOQIRC-UHFFFAOYSA-N 435.549 3.472 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)CCn2nc(C)cc2C)n1CCCc1ccccc1 19336121 GOAIIXBSNZQYSJ-UHFFFAOYSA-N 443.617 3.255 0 50 IGAA CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 19878626 ZLXZBUVQIXGYNK-CYBMUJFWSA-N 434.495 3.005 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCC(N3CCCCC3)CC2)n1CCc1ccccc1 23338348 QQSLYCZJNRMUER-UHFFFAOYSA-N 444.645 3.370 0 50 IGAA CN(C)[C@@H]1CCN(Cc2cccnc2)C[C@@H]1CCC(=O)NCCc1c[nH]c2ccccc12 43073310 VJEZUFSXICOGKA-WIOPSUGQSA-N 433.600 3.454 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(I)c2c(N)ncnc21 148943338 OWIFKPIPYPOLEM-JTQLQIEISA-N 443.289 3.018 0 50 IGAA C[C@@]1(c2ccc(CNC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)cc2)NC(=O)NC1=O 440146561 FVKJDWZGQNUIAX-IZZNHLLZSA-N 446.551 3.321 0 50 IGAA C[C@@H]1COc2ccccc2CN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 782501508 SIRYFDMYNMLXDB-WGDIFIGCSA-N 443.503 3.417 0 50 IGAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCCc3nc(-c4ccccc4Cl)no3)C[C@@H]2CC1=O 1529100668 VTGZCYCWUXDBQV-OWCLPIDISA-N 430.936 3.428 0 50 IGAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3sc(-c4ncccn4)nc3CC)C[C@H]21 1857708164 IMBCZTYBWGCTGM-LJIGWXMPSA-N 426.542 3.236 0 50 IGAA CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C1=S 1110323 WQVSMRAZSIWATJ-MRXNPFEDSA-N 445.928 3.415 0 50 IGAA O=C([C@H]1CCCO1)N1CCN(C(=S)Nc2ccc(Br)cc2Cl)CC1 1121141 WZWGMJWGMSRZSM-CQSZACIVSA-N 432.771 3.123 0 50 IGAA Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 8609379 GZVRXXUMJWKNRF-UHFFFAOYSA-N 427.457 3.284 0 50 IGAA NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O 8673302 XXKJRVWBGKIZLI-UHFFFAOYSA-N 446.941 3.083 0 50 IGAA CN(CCOc1ccccc1)C(=O)Cn1cc(NC(=O)CCC(=O)c2ccccc2)cn1 12161739 QNCNKHZLGXLQQM-UHFFFAOYSA-N 434.496 3.022 0 50 IGAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN([C@@H](C)CSC)CC2 20500998 DWVDFWHOTDAUTB-SFHVURJKSA-N 449.617 3.082 0 50 IGAA Cc1ccc(CCNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)s1 91746463 RWRFBFINURODJQ-NRFANRHFSA-N 426.630 3.487 0 50 IGAA COC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 95400484 QZSWELUZWBOHHN-SFHVURJKSA-N 426.494 3.094 0 50 IGAA O=C1C[C@@H](N2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1cccc(F)c1 100769243 BCOFVANOLQJCBG-GOSISDBHSA-N 447.304 3.204 0 50 IGAA CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc(C(=O)OC(C)C)c1 239338889 LJORUAWHBYYAPG-YXUGBTPSSA-N 429.469 3.278 0 50 IGAA CC(C)c1ncc(OCc2ccccc2)c(C(=O)Nc2cccc(C[C@H](N)C(=O)O)c2)n1 1875305458 RPPJPKQYEARZQS-IBGZPJMESA-N 434.496 3.386 0 50 IGAA CN(C)c1ncnc2cc(C(=O)N3CCN(Cc4cccc5cccnc45)CC3)ccc12 2325738499 AQOCENMXFIWHNT-UHFFFAOYSA-N 426.524 3.202 0 50 IGAA CO[C@@H](CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(SC)o1)C(F)(F)F 2325850666 FCCNMVKKKJYNLT-QIIPPGSGSA-N 442.459 3.481 0 50 IGAA Cc1cncc(-c2cn(C[C@H]3CCCCN(C(=O)c4ccc5c(O)ncnc5c4)C3)nn2)c1 2325868677 GIBNICGRFRZQNV-KRWDZBQOSA-N 443.511 3.240 0 50 IGAA COc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 626010 ONSLUPSVKNTZEN-JOCHJYFZSA-N 425.510 3.280 0 50 IGAA CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1158023 VDHPOHATPRUSFL-UHFFFAOYSA-N 430.526 3.211 0 50 IGAA COc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 8590795 VUCDLSAZLJZVJT-GOSISDBHSA-N 428.286 3.455 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1/C=C/c1ccccc1 8818883 BLVSWUWCNBIIJC-NFNZWVOLSA-N 430.529 3.463 0 50 IGAA Cc1ccc(C(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)N(CCN(C)C)C3=O)CC2)cc1 11787276 XPPQMWQNHDDLGN-RUZDIDTESA-N 442.604 3.136 0 50 IGAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)Cc2ncccc2C)c1 11937779 GITTYZZQPVWEBZ-KRWDZBQOSA-N 425.529 3.149 0 50 IGAA O=C(NCCO)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccc3ccccc3c2)C1 14742339 KQMQRJNWMZLTII-FCHUYYIVSA-N 449.526 3.164 0 50 IGAA COc1ccccc1NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C 16448387 VETDEAICMOEEMC-UHFFFAOYSA-N 434.315 3.435 0 50 IGAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@H](OCc2cccnc2)C1 55131441 CTDOHJVZBGPFLY-SFHVURJKSA-N 427.936 3.266 0 50 IGAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1C 239165005 NHUGWVFTIKMUQA-IJVNUPDKSA-N 435.520 3.107 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239403111 RMZSELYIZSDYMH-VPKSEAOKSA-N 449.732 3.483 0 50 IGAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)Cc3cc(F)c(F)c(F)c3)CC1)OCC2 1857702164 CAKGJBFZYFEZAB-UHFFFAOYSA-N 425.428 3.497 0 50 IGAA Cn1cnc2cc(C(=O)NCC[C@@H]3CN(c4ncnc5n[nH]cc45)c4ccccc43)ccc21 1875287921 GLEXPPWNZXLLKA-MRXNPFEDSA-N 438.495 3.295 0 50 IGAA O=C(N[C@@H]1COCCN(C(=O)c2cc(Cl)ccc2Cl)C1)c1ccc2c[nH]nc2c1 1875349934 UFGFMNJQUMYPEY-HNNXBMFYSA-N 433.295 3.141 0 50 IGAA O=S1(=O)N(Cc2nnc(C3CCC3)o2)c2ccccc2N1Cc1nnc(C2CCC2)o1 2325745477 IZTYWUMSLXBDPO-UHFFFAOYSA-N 442.501 3.259 0 50 IGAA COc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 1121503 JLONLYQBKAOOLZ-UHFFFAOYSA-N 431.283 3.002 0 50 IGAA COC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 1198302 DRZWTQLRXAZFHS-UHFFFAOYSA-N 442.468 3.446 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1Cl 9310576 FLESVFYJVDIDQD-ITICKHJUSA-N 438.936 3.452 0 50 IGAA COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 12291369 HDIMJPIDVLDUGP-UHFFFAOYSA-N 428.466 3.143 0 50 IGAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccc(OC)c(OC)c1)C2 14541689 NJUMRBZWXALNIK-GOSISDBHSA-N 426.561 3.193 0 50 IGAA Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)n1 23129343 FDCLCXZANNXGRZ-HSZRJFAPSA-N 434.584 3.367 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C2=C1C(=O)OC2 169758202 GUWXNCCTYGUUNL-HSZRJFAPSA-N 447.491 3.090 0 50 IGAA CCc1ccccc1NC(=O)CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O 169780810 SQYFZCXDBLTGQU-HXUWFJFHSA-N 425.872 3.418 0 50 IGAA COc1ccc(OC)c2[nH]c(C(=O)Nc3cccc(OCCN4CCOCC4)c3)cc12 409414527 LTLCCOTYOLWYKB-UHFFFAOYSA-N 425.485 3.148 0 50 IGAA CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 427579530 USIKPKWOGUSNEX-NRFANRHFSA-N 431.602 3.332 0 50 IGAA COc1cccc(CC2(C(=O)N3CC[C@@](O)(c4cn(C(C)C)nn4)C3)CCCCC2)c1 813587265 YNHGKYABWBOFKM-DEOSSOPVSA-N 426.561 3.481 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cc(C)cc(C)c2)cc1OC 2907429 CPANFFIHZXJWDI-UHFFFAOYSA-N 434.558 3.288 0 50 IGAA Cc1c(C(=O)NCc2ccccc2F)sc2ncnc(NCCCN3CCCC3=O)c12 11868127 RIVSOWZSUDWSFK-UHFFFAOYSA-N 441.532 3.493 0 50 IGAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 12308711 VRGGHOSSUNCMQA-IBGZPJMESA-N 437.540 3.202 0 50 IGAA COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12452876 JLWLETNFKQEAKE-JOCHJYFZSA-N 439.556 3.495 0 50 IGAA COc1cc(CN(Cc2cccnc2)C(=O)c2cc(C)nn2C)ccc1O[C@@H]1CCOC1 14978750 NYEMALZNLHYWTH-HXUWFJFHSA-N 436.512 3.142 0 50 IGAA O=C1C[C@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 16225592 LKWFPIJVILFXEG-FQEVSTJZSA-N 442.357 3.335 0 50 IGAA COCC(=O)Nc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)cc2ncn(CCc3ccccc3)c12 102711580 ZIBXXDDKPTUFOM-ICSRJNTNSA-N 432.524 3.488 0 50 IGAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCCN21 248329874 DTKIXLBQVYIXOU-RAZUEPIFSA-N 435.911 3.388 0 50 IGAA Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCCC3 252693051 AGHHOCGNUNFUKT-WKILWMFISA-N 427.497 3.366 0 50 IGAA biogenic O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 886025343 ITSQAGBRVSLMGC-RBUKOAKNSA-N 436.899 3.456 0 50 IGAA O=C(N1CCC(O)(Cc2ccccc2F)CC1)C1(OCc2ccccc2)CCOCC1 1320966146 BDQKCLAQTYAVFQ-UHFFFAOYSA-N 427.516 3.488 0 50 IGAA Cc1ccccc1C[C@H](CO)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 2325740029 FVPXYZDHNZLBRM-DHLKQENFSA-N 430.548 3.304 0 50 IGAA CCn1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)n1 2793817 ZBOGTOSJPSCEMQ-UHFFFAOYSA-N 445.372 3.267 0 50 IGAA CC[C@@H](C)OC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCC2 2803774 DMIGDPZKKDYKEH-CYBMUJFWSA-N 442.603 3.192 0 50 IGAA O=C(Cc1c(F)cccc1Cl)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11881189 YFSFMZAAYKCYPZ-QGZVFWFLSA-N 445.922 3.387 0 50 IGAA C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2cnccn2)c1 14981877 XINHLDOXECLEDP-KRWDZBQOSA-N 434.496 3.035 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3c(C)nc4sccn34)C2)CC1 15076584 KCDHHAZAQYMVFG-SFHVURJKSA-N 439.585 3.140 0 50 IGAA COc1ccc(-n2c(SCC(=O)Nc3nc4ccccc4s3)nc(O)cc2=O)cc1 23114693 MAVRBKGGLITTEA-UHFFFAOYSA-N 440.506 3.287 0 50 IGAA O=C(N[C@@H](Cc1ccc(I)cc1)C(=O)O)OCc1ccccc1 38839311 RLQFURMICGBHLW-HNNXBMFYSA-N 425.222 3.213 0 50 IGAA CN(C)CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(CNC(=O)OC(C)(C)C)C1 253417640 OOTOCVLWKZFMGV-HOYKHHGWSA-N 431.577 3.394 0 50 IGAA COc1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)cc1OC 263615979 GIQONSWRJCDBDT-HXUWFJFHSA-N 442.903 3.193 0 50 IGAA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC1)C2 463533669 FLFPIVIZEHWAMG-HJPURHCSSA-N 448.519 3.448 0 50 IGAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 886025179 BOQAOJXOUGLVIK-QZTJIDSGSA-N 436.899 3.456 0 50 IGAA COC1(C(=O)N2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CCOCC1 952892014 DLIQUISRBQXTSM-GOSISDBHSA-N 443.397 3.104 0 50 IGAA CN1C[C@]2(CCCN(Cc3cccc(OCCCCN4CCOCC4)c3)C2)CCC1=O 952971043 BXISZYAXFRANQI-VWLOTQADSA-N 429.605 3.012 0 50 IGAA CC(C)[C@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1)N1CCCCC1 2332238370 OTLUTDGPTDRBRE-WYOQWIFNSA-N 449.661 3.016 0 50 IGAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCn2nc(C)c(C(C)=O)c2C)CC1 2356143203 YNYCJHWINUFFRH-UHFFFAOYSA-N 425.529 3.192 0 50 IGAA O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)c(=O)c3cc2c(=O)n1-c1cccc(Cl)c1 1176466 CODOFHUORIHCBL-UHFFFAOYSA-N 437.238 3.198 0 50 IGAA CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1OCC 12410803 VEQLIAGCQIYNFA-UHFFFAOYSA-N 439.472 3.285 0 50 IGAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2SC)C1 12430524 BXXFEHQDEDOQKJ-KRWDZBQOSA-N 428.554 3.465 0 50 IGAA CCN1C[C@@H](CN(C)C(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)CC1=O 12431605 KMFSRXXAQUBWIR-CQSZACIVSA-N 428.514 3.112 0 50 IGAA O=C1CN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](OCC2CC2)CN1Cc1cccnc1 14531281 KXLYVGRLNZDNPB-DEOSSOPVSA-N 449.530 3.046 0 50 IGAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@H](C)Cc1cccnc1)CC2 14539522 QAZJODZLPBOBBH-LJQANCHMSA-N 436.556 3.340 0 50 IGAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N1CCc3c([nH]c4ccccc34)C1)C2 14731585 FLOSPAXTWDUSDQ-SFHVURJKSA-N 447.583 3.162 0 50 IGAA COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCC(=O)O 16264734 KVCCEUQDHYXRRC-VIZOYTHASA-N 434.807 3.044 0 50 IGAA COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 19853702 ADDJDTUINKVLJS-UHFFFAOYSA-N 439.375 3.273 0 50 IGAA COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c(OC)c1OC 22018309 VQFDWMBORORTDE-LPHOPBHVSA-N 437.521 3.267 0 50 IGAA CC1(C)CC(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C[C@@]34C=C[C@H]2O4)CC(C)(C)N1 252346766 AMWQGYQWGIQNCX-LFALDJFMSA-N 443.975 3.052 0 50 IGAA O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2F)CC1 813400234 MYSBOAMCVGFXAV-QGZVFWFLSA-N 442.821 3.099 0 50 IGAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 827758359 XXHOMIYFFDJTEP-IBGZPJMESA-N 439.537 3.332 0 50 IGAA CN1CC[C@H](C(=O)Nc2cccc3cc(Br)cnc23)[C@@H](c2cnn(C)c2)C1 849592863 RZMQANYQAUYBFB-DLBZAZTESA-N 428.334 3.405 0 50 IGAA Cc1cc(Br)ccc1NCC(=O)N[C@@H](CO)[C@H](O)c1ccc(Cl)cc1 2325861475 RHHYKTDFBPSKTN-FUHWJXTLSA-N 427.726 3.034 0 50 IGAA COc1cc(CN(C)Cc2nc(C)c[nH]2)ccc1OC[C@H](O)CN(C)C1CCCCC1 11820077 XTSLNYOXATWURM-OAQYLSRUSA-N 430.593 3.363 0 50 IGAA C[C@H](C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1)n1cncn1 12386268 AIRIZMBJRXEGTE-HXUWFJFHSA-N 437.588 3.339 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)cc1C 12650680 WUWMMLOCZHEVIR-UHFFFAOYSA-N 427.320 3.025 0 50 IGAA CCn1ncc(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1C 12713573 FTCKTVNSABEBPI-UHFFFAOYSA-N 426.561 3.499 0 50 IGAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)ccc1C 16648544 JPFCASNVPOLXDJ-UHFFFAOYSA-N 426.423 3.484 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CCc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 20388577 HJNRDBABTADXPW-VWLOTQADSA-N 448.611 3.377 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 101888616 YIDQGOPSWLXLCP-PEYKTXOXSA-N 433.460 3.270 0 50 IGAA C[C@]1(Cc2ccccc2)OC(=O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@@]2(C)O)[C@]1(C)O 245255022 DQGRJAZMPUBWTA-MOUTVQLLSA-N 440.496 3.226 0 50 IGAA COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccc(C)cc1 248171928 WYSDXIZJJGIYLG-CWBXHPNXSA-N 430.504 3.100 0 50 IGAA COc1cccc(C[C@@H](C2CCN(C(=O)Cn3ccnc3)CC2)N(C)C(=O)CC(C)C)c1 299765714 CCCMPCKFHGPYPG-QHCPKHFHSA-N 440.588 3.246 0 50 IGAA Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 299796715 NOCUFQFQQJBIPQ-SFHVURJKSA-N 430.556 3.150 0 50 IGAA O=C(O)COc1ccc(-c2ccccn2)cc1CN[C@H]1CCCN(C(=O)c2ccco2)C1 1506421952 LZXGYSANRLWDBG-IBGZPJMESA-N 435.480 3.199 0 50 IGAA COc1ccc(Cn2nnc(-c3nc(Cn4cncn4)nn3[C@@H]3CCC[C@@H](C)C3)c2C)cc1 1875349511 ZXUBUBISLHYQCJ-VQIMIIECSA-N 447.547 3.293 0 50 IGAA Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)c2cc(O)c3ccoc3c2)Cc2ccccc21 1875361202 QCSJDNCYOVAICF-KRWDZBQOSA-N 430.464 3.340 0 50 IGAA Cc1nccc(-n2ccc(=NC(=O)Cc3csc(NC(=O)C(C)(C)C)n3)[nH]2)c1Cl 2325839644 AADGDNWFADXNRG-UHFFFAOYSA-N 432.937 3.273 0 50 IGAA Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCC(C(N)=O)CC2)cc1 1052820 PJDJCSFLPLJQKG-UHFFFAOYSA-N 425.510 3.185 0 50 IGAA COC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)nc2)cc1 1115344 AXQGITXUOIZQRC-UHFFFAOYSA-N 433.420 3.159 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(OC)cc3)S2)cc1 1250683 NOCUNRHGQDMPHN-KRWDZBQOSA-N 427.482 3.311 0 50 IGAA CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCCOc1ccccc1 2868710 DSAFTAQGTCPZTO-UHFFFAOYSA-N 442.541 3.416 0 50 IGAA CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 3217659 WVSNYMPJUHZGDN-UHFFFAOYSA-N 428.341 3.182 0 50 IGAA CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N(C)CCc2ccccc2)c1=O 11870373 SLVXASUICAECTC-UHFFFAOYSA-N 431.536 3.350 0 50 IGAA Cc1ccc2occ(CN3CCC([C@@]4(CCC(C)C)NC(=O)NC4=O)CC3)c(=O)c2c1 12052879 GQCKNPSLRJGSIO-XMMPIXPASA-N 425.529 3.328 0 50 IGAA COCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2[nH]c(C)cc2C)C3)o1 12511372 VLGFNSFLCZTKQG-UHFFFAOYSA-N 436.512 3.203 0 50 IGAA CCN(CC)CCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C 14954422 KJKZLKOASNYGPU-UHFFFAOYSA-N 448.571 3.159 0 50 IGAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O 15005630 LHZPNFVTUXSRGQ-CYBMUJFWSA-N 439.434 3.398 0 50 IGAA CCn1cc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)c(C)n1 15064537 IXBQCGXSZCQSKL-UHFFFAOYSA-N 436.516 3.226 0 50 IGAA COC[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(C3CCCC3)C2=O)C1 19836586 DJELQQHSUSSZAI-CLOONOSVSA-N 426.557 3.209 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2Cl)C2=C1C(=O)OC2 169758988 RRGAPMRTCRXOEC-HXUWFJFHSA-N 441.871 3.255 0 50 IGAA O=C(c1ccc(Br)o1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169777289 CUWGHAMPOKWYAZ-UHFFFAOYSA-N 449.280 3.134 0 50 IGAA COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)n2ccccc2nc1=O 205981175 KZBWOKKSXRKDLQ-LJQANCHMSA-N 431.448 3.069 0 50 IGAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 248244396 GFRRJAZCKOUIKD-QFBILLFUSA-N 443.573 3.253 0 50 IGAA Cc1ccc(C(=O)N2C[C@H](O)Cc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 447712052 CYVSPQKFCYCKLD-OAQYLSRUSA-N 436.533 3.037 0 50 IGAA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(N2CCOCC2)c1 763433872 JOPBXBHTRLJHFZ-UHFFFAOYSA-N 428.869 3.123 0 50 IGAA CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 3977792 BMCQMVFGOVHVNG-ZLOBPOPUSA-N 432.557 3.133 0 50 IGAA Cc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O 11982428 ONQHCYYGQRHCCI-UHFFFAOYSA-N 433.556 3.035 0 50 IGAA CCN1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)CC1 12076495 NYMQFHJEBGCGAI-OAQYLSRUSA-N 432.628 3.160 0 50 IGAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCc2nc(C)c(C)s2)c1 12432170 LLUZDICMDFXLFA-UHFFFAOYSA-N 431.558 3.131 0 50 IGAA CCOc1ccc(NC(=O)CSC2=N/C(=C\c3cn(C)nc3C)C(=O)N2C2CC2)cc1 19630091 MUBNSQZFJZCYLI-ODLFYWEKSA-N 439.541 3.201 0 50 IGAA CN(C)c1nc2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=O)c1cncs1)OCO3 20204435 AHQUSPTYKHNFBU-MRXNPFEDSA-N 440.525 3.307 0 50 IGAA COc1ccc(-c2noc(CN3CCN(Cc4cccc(F)c4)CC3)n2)c(OC)c1OC 95501603 WHRMGGZPGZBBLN-UHFFFAOYSA-N 442.491 3.219 0 50 IGAA COc1ccc(CN2CCN(Cc3cccn3-c3nccs3)C[C@H]2CCO)cc1C 104311592 NRFWOFBHVVNLDI-HXUWFJFHSA-N 426.586 3.320 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)Nc1ccc(F)cc1F 169758031 BSWXKZKUBPKGIU-GOSISDBHSA-N 433.798 3.134 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)cc1F 169758034 GNSIJWOXUQRUQN-IBGZPJMESA-N 429.835 3.303 0 50 IGAA CN1[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 222427072 MQSXZKAMGDKFRW-JKSUJKDBSA-N 431.411 3.063 0 50 IGAA Cc1ccc(-n2nc(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)c3c2CCC3)c(F)c1 482223738 UGVZWNDTKKFCQF-INIZCTEOSA-N 445.498 3.337 0 50 IGAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@@H](c3ccc4c(c3)n(C)c(=O)n4C)C2=C1O 888089891 NKNDFAQLIODUIV-OAQYLSRUSA-N 441.491 3.218 0 50 IGAA CCc1nc(-c2ncccn2)sc1C(=O)NCc1noc(-c2c(F)cccc2F)n1 1857732209 HMZZGBZYVXPPQW-UHFFFAOYSA-N 428.424 3.421 0 50 IGAA CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N2 1875252941 JNYZQTPXTOQQAJ-YBQAAQTASA-N 435.524 3.018 0 50 IGAA O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1)N1CCC[C@@H]([C@@H]2CCNC2)C1 1875348872 FPTMYAGYOSDEMB-NHCUHLMSSA-N 427.570 3.090 0 50 IGAA C[C@H](Sc1nc(CC(=O)N[C@@H](C)c2nnc(-c3ccccc3)s2)cs1)C(N)=O 2325852464 HAVZCOICLVDXHO-QWRGUYRKSA-N 433.584 3.047 0 50 IGAA CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc1 2356146406 DVHZLVQVGKYCPE-UHFFFAOYSA-N 438.549 3.205 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)N[C@@H]2CCc3ccccc32)(c2ccccc2C)C1=O 12098433 JMPJLPZNUMUWRC-GJZUVCINSA-N 434.536 3.222 0 50 IGAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)CCn1nc(C)cc1C 12279605 QHFZRVIFZZCVCR-UHFFFAOYSA-N 439.560 3.188 0 50 IGAA CC(C)[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1)C(=O)O 12382005 CTMHBXCVVJCRGJ-KMPOOHAWSA-N 435.274 3.038 0 50 IGAA Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(Cc1cccc(O)c1)C2 14542839 YRZHFECBMIPPOM-UHFFFAOYSA-N 437.569 3.047 0 50 IGAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 14749166 GTISTMKMCHTLNM-UHFFFAOYSA-N 437.588 3.226 0 50 IGAA COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1I 16400755 ZGCZQIJQDONBQZ-UHFFFAOYSA-N 429.279 3.047 0 50 IGAA O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCN(C(=O)c2cccs2)CC1 20606120 QSVYTHOAZHORMZ-UHFFFAOYSA-N 430.917 3.233 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)CC1 22920367 MSJOHWDGNQEBSF-FQEVSTJZSA-N 425.533 3.007 0 50 IGAA CCCCON1C(=O)[C@@H]2[C@H]3O[C@H]([C@@H]4[C@@H]3[C@@]3(Cl)C[C@@]4(Cl)C(Cl)=C3Cl)[C@@H]2C1=O 216191596 UPYPGWHUZDBGJN-IHEFMENMSA-N 441.138 3.394 0 50 IGAA Cc1nc(C2CC2)sc1C(=O)NC1C[C@H]2CN(C(=O)c3cn4ccnc4s3)C[C@@H]2C1 2325875722 AJNLFSCJDUVDKT-KBPBESRZSA-N 441.582 3.319 0 50 IGAA Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 669185 UPVCSBYISGUQDB-CQSZACIVSA-N 427.505 3.484 0 50 IGAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br 674454 LAVYTQSXSBXXBH-UHFFFAOYSA-N 439.331 3.031 0 50 IGAA C[C@H](C(=O)OCC(=O)n1c2c(c3ccccc31)CCCC2)N1C(=O)c2ccccc2C1=O 1145945 PQWVBLIIEZIHDS-OAHLLOKOSA-N 430.460 3.388 0 50 IGAA Cc1nn(C(=O)Cn2nc(C)c(I)c2C)c(C)c1Br 1430030 PMTGJOIUGJWBAD-UHFFFAOYSA-N 437.079 3.021 0 50 IGAA COc1ccc(OC)c([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)c1 2080820 XMRPVVBADBRUIO-NRFANRHFSA-N 426.469 3.296 0 50 IGAA CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 4763241 VJJCVQALEZQGME-LEWJYISDSA-N 426.513 3.372 0 50 IGAA Cc1cccc(CN2CCC(N3CCC(C(=O)N[C@@H]4CCOC(C)(C)C4)CC3)CC2)n1 11662671 UCVWAHGQITVLGY-OAQYLSRUSA-N 428.621 3.140 0 50 IGAA COCCn1c(CN2CCC[C@H](CCCO)C2)cnc1S(=O)(=O)C1CCCCCC1 11663521 JVABQSBUOZPIEH-LJQANCHMSA-N 441.638 3.011 0 50 IGAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 11702744 VGKLKBUHVJQBSS-JOCHJYFZSA-N 431.540 3.437 0 50 IGAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)c1 11843467 FTHUNERPBAZVQC-GOSISDBHSA-N 438.572 3.256 0 50 IGAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 12218493 WNHFYLDXJKRZQS-UHFFFAOYSA-N 425.464 3.073 0 50 IGAA COCC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 12300005 ACNKAVYJVIIELO-FQEVSTJZSA-N 441.638 3.275 0 50 IGAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 12375892 XUJSXIYVPVZCQY-SFHVURJKSA-N 432.307 3.083 0 50 IGAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)[C@@H]4CCOC4)c3C3CC3)ncc1CC2 14995992 BBVCVWAFZUFQCP-GOSISDBHSA-N 445.523 3.175 0 50 IGAA CCCOc1c(OC)cccc1C1C(C(=O)OC)=CN(C[C@@H]2CCCO2)C=C1C(=O)OC 16393048 ZYBHUPOGEKVDBR-INIZCTEOSA-N 445.512 3.176 0 50 IGAA O=C(Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)Nc1cccc(C(F)(F)F)c1 20530638 RXQCEZDXRAYOFO-UHFFFAOYSA-N 440.381 3.205 0 50 IGAA O=C(c1nc2sccn2c1CN1CCC(OCc2ccccn2)CC1)N1CCCC1 20785634 ZUKFEJPXNDQENK-UHFFFAOYSA-N 425.558 3.208 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1Cl 23251638 PHSOKMVWPBZMLU-INIZCTEOSA-N 432.952 3.021 0 50 IGAA COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C 39455388 MKYKFCRCTSTVGC-NRFANRHFSA-N 435.480 3.306 0 50 IGAA CN1c2c(occ([C@H]3NCCc4c3[nH]c3ccccc43)c2=O)-c2ccccc2S1(=O)=O 96028128 WRFWOOWVISDSDF-LJQANCHMSA-N 433.489 3.162 0 50 IGAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 170629243 SMSQCNRMPAHVFM-CQSZACIVSA-N 445.379 3.304 0 50 IGAA NC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 242273748 YFOLJWRGJHBRLM-UHFFFAOYSA-N 443.447 3.475 0 50 IGAA COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)cc1O 253470891 HRHKERAAAJKEFS-HNNXBMFYSA-N 439.420 3.257 0 50 IGAA C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc([C@]5(C)NC(=O)NC5=O)c4)cc3c2C1 1321334827 PBMNTBKHAHIGBO-PWECECGKSA-N 430.508 3.277 0 50 IGAA CC[C@H](C)[C@@H](C)C(=O)N1CCC([S@](C)(=O)=NC(=O)c2ccccc2-n2ccnn2)CC1 2332238998 SYUZVZYSLICLLB-KEGLGMRESA-N 445.589 3.179 0 50 IGAA Cc1ccc(O)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)O)cc4)cc3C2=O)c1 6146036 WXNUNGBWYPSUNY-UHFFFAOYSA-N 437.429 3.032 0 50 IGAA O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(F)c1F)CC2 12152844 IANLRCNUJNQUKZ-IHHMQQGQSA-N 425.479 3.361 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 14976580 XLGDSXDFEWWTMV-FQEVSTJZSA-N 442.604 3.050 0 50 IGAA Cc1nn(C)cc1CN[C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 14994990 NAEBKFLFJNPMBO-LJQANCHMSA-N 445.592 3.487 0 50 IGAA COc1ccc(OC)c(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1 15856070 RHBYCGZBQXWINM-UHFFFAOYSA-N 437.584 3.260 0 50 IGAA CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 20602474 JXQHMIZILOAOJH-UHFFFAOYSA-N 429.542 3.354 0 50 IGAA CCOC(=O)N1CCC(N2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)CC1 20784703 FPDDEYIWFVGLNV-NRFANRHFSA-N 433.593 3.263 0 50 IGAA COc1ccc(OC)c2c1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C)C[C@H]2O 328593490 BCRJXUGHJOEOIR-CEQIKUNHSA-N 448.560 3.361 0 50 IGAA c1ccc2c(c1)ncn2-c1ccc(-c2noc(-c3ccc(CN4CCOCC4)cn3)n2)cn1 328595555 YAMZLIJMGUIZSS-UHFFFAOYSA-N 439.479 3.365 0 50 IGAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CCC(Oc2cccnc2)CC1 1704311246 AYEZNUYQGAMIRX-UHFFFAOYSA-N 434.496 3.257 0 50 IGAA O=C(c1onc2ncccc12)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857705024 OXCPRGWHRSPHDH-IBGZPJMESA-N 448.523 3.461 0 50 IGAA C[C@H](NC(=O)[C@@H]1Cc2ccccc2N(C)C1=O)c1cn(-c2ccc(Cl)cc2F)nn1 1875340556 IBCBUGFPGFQKGH-WFASDCNBSA-N 427.867 3.072 0 50 IGAA Cc1cc(C(=O)N=[S@]2(=O)CCCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)ns1 2332238627 FZAPZVBJWOBAHZ-PMERELPUSA-N 447.582 3.395 0 50 IGAA CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2859087 CIJQOUXCUHXOEM-UHFFFAOYSA-N 429.527 3.485 0 50 IGAA COC(=O)c1ccc2c(=O)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(S)nc2c1 2973513 NPUYUMGUQYPSBR-UHFFFAOYSA-N 437.521 3.193 0 50 IGAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1 9434503 AFNCPJKWKYYQMJ-UHFFFAOYSA-N 432.318 3.135 0 50 IGAA Cc1csc(SCC(=O)NC[C@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)n1 11912360 KTKDDBVTEAOBJJ-GOSISDBHSA-N 432.615 3.269 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 11933836 PICZHCWHSPILGA-QHCPKHFHSA-N 447.553 3.281 0 50 IGAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1ccc(Cl)c(Cl)c1 14740731 JFMGCKVKVSKZTJ-WBAXXEDZSA-N 438.355 3.162 0 50 IGAA CC[C@H](C)n1cc(C(=O)NCC2(O)CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 15071434 VCEBFQZSAPOMEI-SFHVURJKSA-N 431.577 3.261 0 50 IGAA Cc1nnc(SCCNC(=O)[C@@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)s1 19112547 RSRSHNUKZHBAQK-INIZCTEOSA-N 432.550 3.115 0 50 IGAA CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN2CCOCC2)c1=O 19862595 JAZCTKTUEHTPRD-UHFFFAOYSA-N 446.551 3.049 0 50 IGAA CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 25691770 AQGNAWPCVFCZDK-LEWJYISDSA-N 442.512 3.078 0 50 IGAA CC[C@@H](C)[C@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)c1nc2ccccc2[nH]1 252538424 NATJFQFPHWOFRI-SZNDQCEHSA-N 449.511 3.194 0 50 IGAA COc1ccc(-n2ncc(C(=O)N(C)Cc3ccccc3N(C)C)c2C(F)(F)F)nn1 253427326 YBOTZTYMZGXHPY-UHFFFAOYSA-N 434.422 3.028 0 50 IGAA Cc1ccc(F)c(OCC(=O)N2CCCN(C(=O)COc3cc(C)ccc3F)CC2)c1 481948646 AZVZRSIRKQPEAS-UHFFFAOYSA-N 432.467 3.100 0 50 IGAA O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)N1CCCN(c2ncccc2F)CC1 800763983 VOBPMOZPSLBSAM-OAQYLSRUSA-N 435.503 3.046 0 50 IGAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2ccc(C(F)(F)F)nc2)CCCCN1 2100533614 AYBIAJGGJIQQDW-QGZVFWFLSA-N 426.483 3.087 0 50 IGAA Brc1ccccc1[C@H]1CN(c2nnc([C@H]3COCCO3)n2CC2CC2)CCO1 2325839848 GZDXEKURNNJHKG-QZTJIDSGSA-N 449.349 3.116 0 50 IGAA CC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=O)[C@@H](C)c1cccc(Br)c1 2325877088 IOEWJDDYAZYLBW-BKTGTZMESA-N 448.361 3.433 0 50 IGAA CCc1ccccc1NC(=O)Cn1cnc2ccc(I)cc2c1=O 638882 SWQXMBSWWLMXJL-UHFFFAOYSA-N 433.249 3.202 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 817106 WJDIUYZKIZGPKC-LBPRGKRZSA-N 427.320 3.251 0 50 IGAA Cc1nn(C)c(C)c1CN(C)C(=O)CCn1nc(C(F)(F)F)c(Br)c1C 2778871 TWSJBUYCWUYIMV-UHFFFAOYSA-N 436.276 3.372 0 50 IGAA COC(=O)C1CCN(Cc2ccc(OC[C@H](O)CN(C)C3CCCCC3)c(OC)c2)CC1 11874399 SUEQEBLCCOWLAJ-JOCHJYFZSA-N 448.604 3.084 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)Cc2ccccc2)C1 12074253 YOYRNRWBUXECIY-QHCPKHFHSA-N 431.554 3.413 0 50 IGAA COc1cc(CN2C(=O)CC[C@@H]2CCNCCOc2ccc(F)cc2)cc(OC)c1OC 12338191 BVTOQLLDSLOHQR-LJQANCHMSA-N 446.519 3.401 0 50 IGAA CN(C)CCN(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C(=O)c1ccc(F)cc1 20256099 HQTKYHPYSXTJLV-UHFFFAOYSA-N 438.503 3.373 0 50 IGAA COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20602051 VEVJCNJWIGBZBM-UHFFFAOYSA-N 429.542 3.179 0 50 IGAA CCN(CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 22926617 SYWXIUZOKPTNTI-NRFANRHFSA-N 432.634 3.277 0 50 IGAA CCOc1ccccc1/C=C1/C(=O)N(c2ccc(OC)cc2)C(=S)N1CC(=O)OC 30684111 XXPOJGMNCNHSLR-AQTBWJFISA-N 426.494 3.242 0 50 IGAA COc1cccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)c1 71279868 FBFBCRYFHWSCLF-UHFFFAOYSA-N 436.899 3.413 0 50 IGAA O=C(N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)[C@H](O)c1cc(Cl)cc(Cl)c1 769657167 JRXJDEVXCOIQAT-ZIAGYGMSSA-N 430.654 3.238 0 50 IGAA C[C@@]1(c2cccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)c2)NC(=O)NC1=O 1318124754 VIXUQQWUOBDOHF-VWLOTQADSA-N 430.508 3.421 0 50 IGAA CC(C)N1C(=O)N[C@@]2(CCN(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)C2)C1=O 1875311459 ZSTQOAPYQSNHGV-MRXNPFEDSA-N 434.802 3.175 0 50 IGAA Cn1ncc(Cl)c1CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1snc2ccccc12 2325823869 GPDBTOPVARMBCG-BBRMVZONSA-N 445.976 3.331 0 50 IGAA O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 1174274 RPCXHPGWMNGYEH-OAHLLOKOSA-N 443.352 3.484 0 50 IGAA COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc(OC)c1OC 2921474 NBVQCUQLAHGOJC-AUWJEWJLSA-N 429.425 3.083 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCCCc2ccccc2)c1=O 11910736 SJNHZWOJGDVTJT-UHFFFAOYSA-N 435.524 3.382 0 50 IGAA C[C@@H](CCn1cccn1)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12202135 NPANEJSZEWJDFZ-SFHVURJKSA-N 448.011 3.150 0 50 IGAA CCOC(=O)N1CCC(NCc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)CC1 14979352 SIVVQAHZRSHWQE-UHFFFAOYSA-N 438.503 3.294 0 50 IGAA Cc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1 15942614 CRZVWYCVYMHWCE-UHFFFAOYSA-N 434.544 3.304 0 50 IGAA Cc1ccsc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19637031 WNGSEFHETPFOIV-IBGZPJMESA-N 427.570 3.208 0 50 IGAA CCCn1cc(C(=O)CSc2nnc(CN3CCOCC3)n2CC)c2ccccc21 19852236 PBTAIEOAICMYHW-UHFFFAOYSA-N 427.574 3.470 0 50 IGAA COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(Cc1cccs1)CC2 20784071 BLHVRIGBVOXTGC-UHFFFAOYSA-N 442.512 3.473 0 50 IGAA COC(=O)c1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)c(C)o2)cc1 55183007 BIYODSVFOWUAKR-UHFFFAOYSA-N 437.471 3.420 0 50 IGAA CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO 58660958 RHGZQGXELRMGES-UHFFFAOYSA-N 426.550 3.221 0 50 IGAA in-vitro COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(Cl)ccc4F)ccn3n2)cc1 169775851 CUOWTQJMFLBCCW-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA CCCc1noc(-c2cn(C3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)nn2)n1 169780215 GCLSGAONTLFXST-UHFFFAOYSA-N 430.896 3.420 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc(OCc2ccccc2)cc1 239203521 SNWNWZGNBKDJNH-BSZKWMGISA-N 429.472 3.224 0 50 IGAA CCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4c3ncn4C3CC3)CC2)cc1 431412428 DBVLLKBWUSTULM-UHFFFAOYSA-N 426.546 3.036 0 50 IGAA O=C(Nc1cccc(-n2cnnc2O)c1)c1cnn(-c2ccccc2F)c1-n1cccc1 460483850 TXZFVBQZALQIRO-UHFFFAOYSA-N 429.415 3.341 0 50 IGAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 481258470 PDAQGUNISFPXBC-NQIIRXRSSA-N 449.477 3.165 0 50 IGAA CCn1c([C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)nc2ccccc21 746019165 LQHXUGMDXOVKJX-BLIXFSHQSA-N 436.512 3.005 0 50 IGAA Cc1nnc(SCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)n1N 1772491208 NDGHHDKKSKCLKX-UHFFFAOYSA-N 440.573 3.186 0 50 IGAA CC(C)(C)[C@H]1CN(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325895651 GBGFZUNAEAAHDQ-PZJWPPBQSA-N 445.519 3.238 0 50 IGAA Cc1nn(CCCn2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)c(C)c1Cl 2733884 USCZHTLFWPTUJO-UHFFFAOYSA-N 445.976 3.324 0 50 IGAA Cn1c(CN2C[C@H](c3ccccc3)CC2=O)nnc1SCC(=O)Nc1ccccc1F 12427815 PNAWLXRGVGHBAS-MRXNPFEDSA-N 439.516 3.201 0 50 IGAA Cc1nc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)cs1 14533821 NLFYLLMRPRZMHR-LJQANCHMSA-N 428.558 3.049 0 50 IGAA COc1ccc(-c2n[nH]cc2CN(C)Cc2nnc(SC)n2C[C@@H]2CCCO2)cc1 14992276 CRIFNTRJIJSMHN-SFHVURJKSA-N 428.562 3.210 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(SC)cc1 16711801 HOKUKZUSWOCUAL-XYSGSMRZSA-N 440.546 3.113 0 50 IGAA C[C@@H]1CN(CCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CCO1 252585705 KJXBJKQQVTUNNF-IAGOWNOFSA-N 427.574 3.418 0 50 IGAA COC(=O)CCS(=O)(=O)/C(=C/c1ccc(Cl)cc1Br)c1ncccn1 328593138 GUUYDGVHUIOVRS-NTEUORMPSA-N 445.722 3.369 0 50 IGAA C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)C(=O)Nc1ccc2c(c1)OCCO2 468499745 ATABOWSHGYUCFC-SGTLLEGYSA-N 447.417 3.301 0 50 IGAA Cc1ccc(-n2nc(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)c3c2CCC3)c(F)c1 482223740 UGVZWNDTKKFCQF-MRXNPFEDSA-N 445.498 3.337 0 50 IGAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)c3ccc[nH]3)C[C@@H]21 1875240788 ZQACYZLHOUPPNC-PKOBYXMFSA-N 447.491 3.192 0 50 IGAA O=C(CCc1ccccc1C(=O)O)N[C@@]12CC[C@@H](C[C@@H]1n1cc(-c3cncs3)nn1)C2 1875325488 ZFGJZRMHNNURDI-OSGPJOMKSA-N 437.525 3.333 0 50 IGAA CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)C[C@@H](C)c1ccccc1 2325708712 PRPXVLHPDGYVNS-MRXNPFEDSA-N 440.587 3.270 0 50 IGAA COC(=O)c1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc(C(=O)OC)c1 647202 ITJOFQQPVLMTNV-UHFFFAOYSA-N 427.844 3.410 0 50 IGAA COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 11812811 MRPYXJUIJQZNJJ-FQEVSTJZSA-N 437.544 3.455 0 50 IGAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2cnn(C(C)C)c2)C1 11844543 DQCJFXVUMCCEJJ-NRFANRHFSA-N 441.620 3.389 0 50 IGAA Cc1ccc(C(=O)N2CCC(Oc3cccc(CN(C)CCn4cncn4)c3)CC2)s1 12050654 JQNRXWNPIMOZEV-UHFFFAOYSA-N 439.585 3.464 0 50 IGAA CC(C)CS(=O)(=O)c1ncc(CN(C)CCCN2CCCC2)n1Cc1ccccc1 12305023 JDWSWHUOKOJVOR-UHFFFAOYSA-N 432.634 3.279 0 50 IGAA O=C(c1ccc(Cl)cc1Cl)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 12377216 PUQMHOVINXIZLR-UHFFFAOYSA-N 432.307 3.047 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 12384267 OMZZVFUQHSVKQX-PLOUGOBLSA-N 434.529 3.418 0 50 IGAA COCCCNC(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 14964053 FYGXDXUTVAKJQR-UHFFFAOYSA-N 425.464 3.121 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(s/c(=C/c3ccccc3)c2=O)=N1 16700401 KGFJSDLCACNZER-VOMPUTFMSA-N 438.574 3.496 0 50 IGAA COc1ccc(Br)cc1CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 19559171 JQTNMSMNKGSYNM-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA O=C(c1ccc2ncccc2c1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593338 AJEQXXUAVAXSBG-XMMPIXPASA-N 428.536 3.184 0 50 IGAA COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3ccccc3)cn1C)CC2 409413945 LUFPCUKDUKMXEE-UHFFFAOYSA-N 434.492 3.180 0 50 IGAA biogenic Cc1nc(SC(F)F)sc1CC(=O)N[C@H](CN1CCOCC1)c1ccccc1 792864372 DRXVVHRJRFUEEJ-OAHLLOKOSA-N 427.542 3.498 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cccc(C(F)(F)F)c2)cc1OC 1529198656 KYVMLCWESWXVJH-RTBURBONSA-N 425.403 3.297 0 50 IGAA COc1ccc(C(=O)[C@@H](N[C@@H]2CCc3ccccc3NC2=O)c2oc(C)cc(=O)c2O)cc1 1776111553 DYPOSAYYEWHIQI-TZIWHRDSSA-N 448.475 3.130 0 50 IGAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356159649 LGNLOKAFYKWRBE-KSCDAYEDSA-N 426.536 3.049 0 50 IGAA O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21)Nc1cccc(F)c1 2787008 SVLNVZSARGZAOQ-CVEARBPZSA-N 436.230 3.064 0 50 IGAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(Br)cc1OC 6480583 CISYUWOGILAKEW-MRXNPFEDSA-N 427.295 3.438 0 50 IGAA COCCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@H](C)C1 12338177 PHXAEDIYTZJWBE-SFHVURJKSA-N 440.540 3.456 0 50 IGAA COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14754187 IACOZPUSKNJIAD-VQTJNVASSA-N 427.520 3.055 0 50 IGAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)CC1 15919195 YOVFFSWSBMVHNP-UHFFFAOYSA-N 436.574 3.021 0 50 IGAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16400314 STTHZJUMLUCUNG-MOPGFXCFSA-N 426.494 3.044 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2S(N)(=O)=O)cc1C(F)(F)F 170609197 FVASSSCLDLTSTL-UHFFFAOYSA-N 428.841 3.115 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@H](C)[C@H]4[C@]34C=C[C@H]2O4)cc1 257372944 IBWVDLQGQPPIOV-ILWQWXNBSA-N 432.476 3.027 0 50 IGAA biogenic O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CCC2(CCOCC2)CC1 437482414 JJRZQRGNSAHAJW-UHFFFAOYSA-N 449.617 3.126 0 50 IGAA C[C@H](C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468658701 LKMVRSGMWCLISE-ROJNSIPKSA-N 430.504 3.006 0 50 IGAA CC(C)C[C@@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1nc(-c2nc[nH]n2)no1 487621503 HRTBXRZUMHQUFW-CYBMUJFWSA-N 444.439 3.080 0 50 IGAA O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc2nc(O)oc2c1)c1ccccc1 494680843 OWLGTYPLVWABCK-UHFFFAOYSA-N 445.478 3.135 0 50 IGAA O[C@@H](COc1cccc(Cl)c1)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1875320278 NXFKTWUAWWGJNG-MRXNPFEDSA-N 434.874 3.056 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 12454726 IZLCUAGXXUTFJT-INIZCTEOSA-N 436.434 3.298 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 14153560 QKYFDMYHJPFAKB-UHFFFAOYSA-N 430.526 3.211 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O 14534387 GKZQBFUDROEIJV-UHFFFAOYSA-N 433.552 3.099 0 50 IGAA COc1cccc(CN2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3ccccc3)C2)c1 14746479 UTCDAKNWWQUEMG-VWLOTQADSA-N 438.568 3.351 0 50 IGAA COc1ccc(CN2CCN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)CCC2=O)cc1 14880718 CSOYFBOFFGXJJJ-UHFFFAOYSA-N 446.551 3.432 0 50 IGAA COc1cc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc(OC)c1OC 16730818 BLYSNKMBMGGWMD-WOJGMQOQSA-N 449.488 3.446 0 50 IGAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)CCc2ccc(C)cc2)CCO3)CC1 20999280 IKZYFKBWWIZFPT-UHFFFAOYSA-N 435.568 3.013 0 50 IGAA COc1cc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc(OC)c1 104334561 PMKSKXXRZKPASQ-JOCHJYFZSA-N 436.556 3.163 0 50 IGAA O=C(NC[C@H](O)c1cccc(Br)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 225737181 VIQHTQQLMQJQSO-GUYCJALGSA-N 437.721 3.305 0 50 IGAA Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cs1 473381940 HZXDXYIJOUSDRZ-KRWDZBQOSA-N 436.497 3.058 0 50 IGAA O=C(C(=O)N1CCC[C@H]1c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325820035 YJVFPHNRZVPNCQ-FQEVSTJZSA-N 443.906 3.127 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CN1Cc1ccncc1 2356165877 JBUVYGSQIYJBOX-LJQANCHMSA-N 444.535 3.002 0 50 IGAA O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 1157722 VEZZEWZFVWGIQE-UHFFFAOYSA-N 443.352 3.043 0 50 IGAA CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 5092777 KCCBTSGQNSNJRJ-FQEVSTJZSA-N 425.554 3.474 0 50 IGAA COc1cc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)ccc1O 11872231 FOFAKOBXMLUVGS-RUZDIDTESA-N 437.540 3.214 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 15064276 MGPFMRMAYGSSEE-QGZVFWFLSA-N 425.558 3.124 0 50 IGAA CCCCc1ncc(CN2CCOc3ccc(CN4CCC[C@H]4C(=O)OC)cc3C2)[nH]1 43073257 CEIHYOSSWUMEIG-NRFANRHFSA-N 426.561 3.284 0 50 IGAA COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1 409414678 NYTKLSPMXWSDOV-WOJBJXKFSA-N 432.480 3.185 0 50 IGAA Cc1cccc(CN2CC(=O)N3[C@H](c4ccccc4)[C@H](C(=O)N4CCCCC4)C[C@@H]3C2)n1 1857684852 HNEIFGWVCHHZSZ-VDKIKQQVSA-N 432.568 3.177 0 50 IGAA O=C1CCc2ccc(O)c(c2)Oc2cccc(c2)[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2N1 1875241937 YCPMAKSXUWFMEE-LEWJYISDSA-N 429.476 3.250 0 50 IGAA CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 627876 SWPVUOQZMRVBCY-IBGZPJMESA-N 429.494 3.462 0 50 IGAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2)cc1 890132 LSTHYABUMHFFIH-QHCPKHFHSA-N 436.533 3.127 0 50 IGAA biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 1136175 MQOVGAHVECNVGV-UHFFFAOYSA-N 434.489 3.429 0 50 IGAA COc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 1150378 GCKALKXYNZTRIP-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA COc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Br 2890708 XVPONJGGZCXLQQ-UHFFFAOYSA-N 432.318 3.379 0 50 IGAA COc1ccc(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c(OC)c1 4703388 YAWSUZPCGZHCER-UHFFFAOYSA-N 425.573 3.499 0 50 IGAA O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 13494481 KHXJMPWAFLDRHK-CQSZACIVSA-N 428.341 3.106 0 50 IGAA CCOC(=O)c1sc(NC(=O)CN2CCc3ccccc3C2)c(C(=O)OCC)c1C 14162101 KKSNOOPHGDIZSK-UHFFFAOYSA-N 430.526 3.407 0 50 IGAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14748329 HSZFQQKLIQQREU-HXUWFJFHSA-N 426.561 3.073 0 50 IGAA Cc1cc(C(=O)N2CCC[C@@H](COc3ccc(CN(C)Cc4ccon4)cc3)C2)n(C)n1 14881493 LRBQPHXWBPYBRV-HXUWFJFHSA-N 437.544 3.280 0 50 IGAA CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 14984361 LIVJZXGWNHYUCS-LJQANCHMSA-N 439.604 3.139 0 50 IGAA O=C1CC[C@H](N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCN1Cc1ccc(F)c(F)c1 15002964 GWKWTQFIVGJDGI-QYZOEREBSA-N 427.495 3.127 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc3ccccc3c1)CC2 20448655 IHKRTXBLDIPWBD-UHFFFAOYSA-N 431.536 3.304 0 50 IGAA CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCC2)nn1 65363843 ZZISAXKXQAPDIK-QGZVFWFLSA-N 448.527 3.452 0 50 IGAA COc1ccc(C(=O)N2CCC3(CC2)NC(c2ccc(Br)cc2)=NO3)cc1 169755762 LYTDBVQWUJTWNQ-UHFFFAOYSA-N 430.302 3.372 0 50 IGAA O=C(CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1 170601233 JUVODKXCGAKBJQ-OAHLLOKOSA-N 445.235 3.126 0 50 IGAA CCS(=O)(=O)Nc1cccc(N2CCC(NC[C@H]3OCCc4ccccc43)CC2)c1 299773881 GHZJUVWPHIFYLD-HSZRJFAPSA-N 429.586 3.321 0 50 IGAA Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2csc(S(N)(=O)=O)c2)c1 768897930 RQVCETKQMKXVEB-LJQANCHMSA-N 430.551 3.080 0 50 IGAA COC(=O)C[C@H](c1cccc(Cl)c1F)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089428 BOXPSOMQTUBIDL-OAHLLOKOSA-N 433.867 3.316 0 50 IGAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952893519 NCPLRHZMUQLLDM-IBGZPJMESA-N 446.364 3.493 0 50 IGAA COCCNc1nc2cc(C(=O)N3CCC([C@H](O)c4cccs4)CC3)ccc2n1C 1506428537 PPRQIFPYULAGHK-FQEVSTJZSA-N 428.558 3.279 0 50 IGAA O=C(NC[C@H]1CCC2(CCC2)O1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1857527592 RQJFNBSCDOEDQM-HZPDHXFCSA-N 427.423 3.091 0 50 IGAA O=C(COC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccccc1 706966 KNCPITFLKNEESI-UHFFFAOYSA-N 438.505 3.062 0 50 IGAA CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O 1549629 NTCCRGGIJNDEAB-IRXDYDNUSA-N 428.316 3.323 0 50 IGAA investigational CCOC(=O)CNC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 2872850 HNVQDSBJNAALCW-UHFFFAOYSA-N 432.811 3.423 0 50 IGAA COc1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cn3ccccc3n2)C1 12151230 SNYVVKDGCADZOP-TZIWHRDSSA-N 432.524 3.039 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](c2ccco2)C(F)(F)F)c1=O 12191109 WDVVSGZWWKAVLY-LJQANCHMSA-N 447.413 3.273 0 50 IGAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)/C=C/c1ccc(OC)c(OC)c1 12429962 OHHZMNFAMVFCFR-VQHVLOKHSA-N 429.605 3.372 0 50 IGAA COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(Cc1ccc(OC)c(F)c1)CC2 14880194 FBXHMXYDKYILFJ-UHFFFAOYSA-N 444.503 3.162 0 50 IGAA COCc1nn2c(ncc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccc(Cl)cc1 40397813 KXMRUWHHXLUOKY-UHFFFAOYSA-N 435.875 3.031 0 50 IGAA O=S(=O)(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 170598629 RHQPURHIBOYUAB-UHFFFAOYSA-N 425.890 3.141 0 50 IGAA COC(=O)c1c(CC(=O)NCc2ccc(Br)c(F)c2)[nH]c(C(C)=O)c1C 170599670 WCDZLPMLNTWWQM-UHFFFAOYSA-N 425.254 3.073 0 50 IGAA Cc1nn(CC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1-c1ccccc1 225506658 NBMHWZKNXLNZMY-UHFFFAOYSA-N 441.535 3.253 0 50 IGAA CC(=O)N[C@@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1F 303951811 TZEHKNWYILHWCV-FQEVSTJZSA-N 442.466 3.039 0 50 IGAA Cc1ccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)NCCC(N)=O)c3)c2)cn1 437877152 ZRBMKMBMTNFPJN-UHFFFAOYSA-N 447.495 3.218 0 50 IGAA CC1(C)CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@H]1CNC(=O)c1cnnc(O)c1 1875359831 QVNFTVARWKQVSH-OAHLLOKOSA-N 441.919 3.235 0 50 IGAA CN(C)CC[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCN(C)C)CC1 2325727412 CSQZDYPQKVAYOK-MOUTVQLLSA-N 448.696 3.458 0 50 IGAA CC(C)CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCO2 2325826408 ADRRXBGWTLBUGX-MRXNPFEDSA-N 438.908 3.020 0 50 IGAA O=S(=O)(c1ccc(Cc2nc(-c3ccc(CCO)cc3)no2)cc1)N1CCCCC1 2325850153 NNZLMGZMYCKJNS-UHFFFAOYSA-N 427.526 3.037 0 50 IGAA O=C(O)c1c(N2CCN(c3nnc(C(F)(F)F)s3)CC2)noc1-c1ccccc1 2356155272 ACBYONUBTQPOQI-UHFFFAOYSA-N 425.392 3.237 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl)CCC3 2776848 FHHCVNVBBUNDJP-UHFFFAOYSA-N 431.827 3.045 0 50 IGAA COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)CN1CCCCCCC1 12432173 IPPWDRCSJAXJLS-QFIPXVFZSA-N 430.593 3.067 0 50 IGAA CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCC2)nn1 65363842 ZZISAXKXQAPDIK-KRWDZBQOSA-N 448.527 3.452 0 50 IGAA C[C@@]1(O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@]2(C)O)C(=O)O[C@]1(C)Cc1ccccc1 245255021 DQGRJAZMPUBWTA-LWSSLDFYSA-N 440.496 3.226 0 50 IGAA COc1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(OC)c1 263618407 SWPFAGHNPKKUHT-SFHVURJKSA-N 449.555 3.158 0 50 IGAA O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 409413493 BHVXARYKSAECHO-LEWJYISDSA-N 430.508 3.215 0 50 IGAA CCOc1ccc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1Cl 670462201 UAUMZPSFAQCGDG-NBTXJNEHSA-N 425.960 3.036 0 50 IGAA Cn1nc(CNc2nccc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)n2)cc1Cl 1875353528 WGAPRLKGFUYBSX-UHFFFAOYSA-N 447.971 3.313 0 50 IGAA CN1C(=O)COc2ccc(C(=O)N3CCC4(CC3)OCCc3c4[nH]c4ccccc34)cc21 2356157436 KOFHARKJUUGCIN-UHFFFAOYSA-N 431.492 3.227 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2ccccc2)cc1 2980824 WKWOMHVBHVLGBR-UHFFFAOYSA-N 440.477 3.227 0 50 IGAA O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccccc1I 2999036 YPVDJCJKQQWVFI-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA Cc1nc(CN(C)C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C)cs1 12048742 BBWHVRACNVGQJM-UHFFFAOYSA-N 448.508 3.404 0 50 IGAA C[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 12149586 JLYHMOYDUOJPLJ-IBVKSMDESA-N 449.551 3.196 0 50 IGAA O=C(/C=C/c1cccs1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 15002106 USDBZXNLKWPOAZ-ROUKRRSUSA-N 436.581 3.134 0 50 IGAA CCCCc1c(O)nc(S[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)[nH]c1=O 95483254 LAISOKDJISYFCZ-CYBMUJFWSA-N 425.869 3.035 0 50 IGAA COc1cc2nc(C)n(CC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)c(=O)c2cc1OC 169774001 IFTBIZLGPPOZQY-IBGZPJMESA-N 446.507 3.397 0 50 IGAA COc1ccc(CCC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1 169777288 PBWMYVBSZWWTLN-UHFFFAOYSA-N 438.503 3.106 0 50 IGAA CCN1CCC[C@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CCCN2CC)c1 240551461 GUAXYQVCTDOJIN-VQTJNVASSA-N 430.597 3.207 0 50 IGAA O=S(=O)(c1ccccc1)[C@H]1[C@@H]2C[C@H]([C@H]1S(=O)(=O)c1ccccc1)[C@@]13[C@H]4C[C@H]5[C@H]([C@@H]41)[C@@]523 257356292 HGKSRZHCCKJCCV-URCFXDGMSA-N 438.570 3.203 0 50 IGAA CS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)Cc2ccccc21 489455082 DSKGSDTXXLBOLH-UHFFFAOYSA-N 449.370 3.289 0 50 IGAA CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)(C)C)=C(N)O1 706079 UGMMHDQZCJPGCL-QHCPKHFHSA-N 428.485 3.034 0 50 IGAA O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccccc1F 9276372 AJRLSMSSRDKHHU-UHFFFAOYSA-N 429.517 3.271 0 50 IGAA CCCc1c(C(=O)NCC[C@H]2CCCN2C)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 14878827 MTEWGVSHQBRWJA-LJQANCHMSA-N 439.556 3.100 0 50 IGAA Cc1nonc1[C@@H]1CCCN1Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F 19225541 YTIYDUHYTSXHMF-IBGZPJMESA-N 447.536 3.281 0 50 IGAA CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101791814 VWPLRSZVLKGYMI-UUWFGAOWSA-N 430.504 3.470 0 50 IGAA COc1ccc(Cl)cc1C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 169775650 UDNOKFHXSGHKHB-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)n[nH]c2=O)cc1 169777371 OYFVIRVKBUYSFT-UHFFFAOYSA-N 440.931 3.230 0 50 IGAA C[C@@H]1CCN(C(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c2ccccc2S1 229718629 MVFZSXAAMRHZNH-HUUCEWRRSA-N 431.583 3.003 0 50 IGAA COc1ccc(N2C(=O)[C@H](CC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)N=C2O)cc1 252493958 NHJCFFFZQILWGN-AZUAARDMSA-N 435.484 3.104 0 50 IGAA COC(=O)C[C@H](c1cnn(C)c1)c1c(O)n(CCc2c[nH]c3ccccc23)c(C)cc1=O 409413907 MDQNEFJLCVVVOT-LJQANCHMSA-N 434.496 3.015 0 50 IGAA CCCOc1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c(OC(C)C)c1 478862536 ICEKEHPLNKCXTA-UHFFFAOYSA-N 433.530 3.081 0 50 IGAA Cn1c(CN2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)nc2ccccc2c1=O 1875329238 MEVJYSDMILYBOW-UHFFFAOYSA-N 430.552 3.162 0 50 IGAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)NCc4ccco4)c(N)c23)CO1 818803 SGQDAKXMCRMLAP-UHFFFAOYSA-N 442.541 3.089 0 50 IGAA COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 835797 DBRLGKOSTTZJBK-UHFFFAOYSA-N 431.470 3.118 0 50 IGAA COc1ccccc1[C@]1(CC(=O)N(C)Cc2ccccc2C(F)(F)F)CC(=O)N(C)C1=O 11880862 BMLDPBCGLUWXQJ-QFIPXVFZSA-N 448.441 3.389 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N(C)c4cccc(C)c4)CC3)c2c1 20177463 CCFQHDSHBDLXNH-UHFFFAOYSA-N 449.551 3.281 0 50 IGAA Cc1ccc(CNC(=O)c2sc3ncnc(NCCN4CCOCC4)c3c2C)cc1F 20254971 HXUBMVGJSXFMBS-UHFFFAOYSA-N 443.548 3.121 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl 32540603 FKZKGULZLVWLLS-RXVVDRJESA-N 437.918 3.114 0 50 IGAA CCn1c(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)nc2ccccc21 39518369 QPVVMUWDIPZEPS-HXUWFJFHSA-N 438.572 3.142 0 50 IGAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)Cc4ccc(Br)cc4)C3)nn2)n1 169778178 SGFQHCIAJRRADI-OAHLLOKOSA-N 445.321 3.230 0 50 IGAA CCc1nc2ccccc2n1Cc1noc(-c2cc(C)c(C)c(S(=O)(=O)NC)c2)n1 170595982 CEYZKDWOJZRPFW-UHFFFAOYSA-N 425.514 3.222 0 50 IGAA CCN(CCCN1CCCC1)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 170607653 CUGAFCFZGONYKO-UHFFFAOYSA-N 448.416 3.382 0 50 IGAA Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)cc1Br 239046297 FMZGCDSOPNJRQI-UUBMZHIOSA-N 429.314 3.058 0 50 IGAA O=C(CC(O)CC(=O)Nc1c[nH]nc1-c1ccccc1)Nc1c[nH]nc1-c1ccccc1 253407494 AOTNHOKAMIDZRO-UHFFFAOYSA-N 430.468 3.185 0 50 IGAA CCOC(=O)c1ncn(C2CCN(C(=O)Nc3ccc(N(C)C(C)C)c(F)c3)CC2)c1N 253424485 GVNOYKSYPOGWHK-UHFFFAOYSA-N 446.527 3.495 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(sc(=Cc3ccc(C)o3)c2=O)=N1 254312788 REZQQCBIQOFDHD-LJQANCHMSA-N 442.562 3.397 0 50 IGAA COCc1c(C(=O)NC[C@@H]2OCCc3ccccc32)cnn1-c1nccc(-c2ccco2)n1 299783532 ZWOKBLJCJFPNMI-QFIPXVFZSA-N 445.479 3.113 0 50 IGAA O=C(CCCn1nnc2ccccc2c1=O)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334161087 SRRCXMZSDWIWAB-HSZRJFAPSA-N 438.491 3.354 0 50 IGAA O=C(O)c1ccc(S(=O)(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 917926090 MOZHMTMNZWUFPF-UHFFFAOYSA-N 428.441 3.255 0 50 IGAA COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)N=c2cc(C)n(Cc3ccccc3)[nH]2)C1 1875337114 UBHUTHYVAUKFIX-VXKWHMMOSA-N 432.524 3.472 0 50 IGAA CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3cnc4c[nH]nc4c3)cc2)n[nH]1 1875352051 RNJZSEJSORPQKO-UHFFFAOYSA-N 434.460 3.020 0 50 IGAA O=C(OCC(=O)c1cnc(N2CCCCC2)s1)c1cn(-c2nc(C3CC3)ns2)cn1 2325862542 YCFWOPMEUGHEFN-UHFFFAOYSA-N 444.542 3.088 0 50 IGAA CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CC[C@H](C3)N(Cc3cscn3)C4=O)n2)cc1 2356145773 WAWWYBSJHHZMFS-FXAWDEMLSA-N 434.569 3.294 0 50 IGAA O=C(COc1ccc(Cl)cc1)Nc1nonc1NC(=O)COc1ccc(Cl)cc1 1112634 LFJYDFPHTVHUPV-UHFFFAOYSA-N 437.239 3.411 0 50 IGAA CC(C)S(=O)(=O)c1ncc(CN(CCO)Cc2ccccc2)n1CCc1ccccc1 11935577 PNXGOHDTFNDWCO-UHFFFAOYSA-N 441.597 3.302 0 50 IGAA CCS(=O)(=O)N1CCN(C(=O)c2ccc(COc3cccc4ccccc34)o2)CC1 13960430 MNGSLYPMUHHAGI-UHFFFAOYSA-N 428.510 3.119 0 50 IGAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccc1)CC2 14741775 FZPNSEIUUFIQBQ-UHFFFAOYSA-N 437.540 3.141 0 50 IGAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1=O 15007076 UEWFOSBFRZCQAL-UHFFFAOYSA-N 447.539 3.171 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(C3CCN(C(C)C)CC3)CC2)c(Cl)c1 20208034 UZXLVYNPBVTYKQ-UHFFFAOYSA-N 438.012 3.432 0 50 IGAA COc1ccc(CN2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c(OC)c1OC 20549907 BLRSZDYYWOGBJM-UHFFFAOYSA-N 428.529 3.458 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(C(F)(F)F)c2)CN1Cc1ccccc1 32565418 DMVBENLFCFTJJE-SFTDATJTSA-N 435.490 3.201 0 50 IGAA CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1nccc2ccccc12 170599613 HPVCTLDSTVXRGM-GOSISDBHSA-N 440.544 3.261 0 50 IGAA COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 170601809 FVTDKIMWCAIGMR-AWEZNQCLSA-N 425.514 3.239 0 50 IGAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 170614139 UQAIDXZIMKCYGR-LJQANCHMSA-N 442.468 3.264 0 50 IGAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 252443946 AOVXLKFCLQDBIE-UXHICEINSA-N 446.551 3.025 0 50 IGAA Cc1ccnc(-c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 303627532 OBPUGFBOILQYMN-UHFFFAOYSA-N 430.917 3.365 0 50 IGAA Cc1c(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cccc1N1C(=O)N[C@@H](C)C1=O 390832952 DACABRCXJFPUKG-APPDUMDISA-N 434.855 3.087 0 50 IGAA O=C1[C@H](NC(=O)N2CCC[C@H]2[C@H]2CCCO2)CCN1c1cccc(OC(F)(F)F)c1 497484251 WAWFMOLLGQMQIL-IXDOHACOSA-N 427.423 3.044 0 50 IGAA CN1C[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1=O 726538079 WEDBQYHLWRUGRV-AWEZNQCLSA-N 425.286 3.020 0 50 IGAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)c1C 1440928407 KKYJRJHSOGIDBQ-OAQYLSRUSA-N 442.581 3.004 0 50 IGAA Cc1ccc(S(=O)(=O)N2CC=CCN(S(=O)(=O)c3ccc(C)cc3)CC=CC2)cc1 1501069297 FSTBXBPWUSNRKR-UHFFFAOYSA-N 446.594 3.111 0 50 IGAA Cc1cc(N2CCN(C(=O)c3cnn4cccc(C)c34)CC2)nc(-c2ccccc2O)n1 1772711061 VRCYWHKHRNYDNB-UHFFFAOYSA-N 428.496 3.076 0 50 IGAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1 1775942468 PRCUSVNZBSLPFB-IYARVYRRSA-N 436.508 3.373 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)N(C)C 1875260528 JZYWYMOJTMTJFG-UHFFFAOYSA-N 437.465 3.033 0 50 IGAA O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 1875261856 DPRCZVVQXZUXFH-XLIONFOSSA-N 446.532 3.483 0 50 IGAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CCc1ccccc1)CCc1ccccc1 2325714036 NKUDKCWLODQBAD-UHFFFAOYSA-N 427.504 3.416 0 50 IGAA Cc1cc(OC[C@@H]2CCCO2)ccc1S(=O)(=O)NCc1ccc(-n2ccnc2)c(F)c1 2325719289 FDEPNEKFRHYZIF-IBGZPJMESA-N 445.516 3.356 0 50 IGAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(I)ccc1F 623282 ZUCWBZACDMXGSO-UHFFFAOYSA-N 445.228 3.011 0 50 IGAA CCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 889766 GAPCBCXQNKBXCE-UHFFFAOYSA-N 439.537 3.300 0 50 IGAA O=S(=O)(c1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1)N1CCOCC1 1195047 MKVMGTJFTIUVJB-UHFFFAOYSA-N 445.522 3.303 0 50 IGAA O=C(O[C@H]1CS(=O)(=O)C[C@@H]1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 1317763 HFDZPMWEYOOGJM-VXKWHMMOSA-N 435.501 3.356 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)Cn3c(=O)c4cccn4c4ccc(F)cc43)CC2)c1 8588608 FPXINNNKSAUPMZ-UHFFFAOYSA-N 432.499 3.359 0 50 IGAA CCOC(=O)C1=C(COc2ccc(F)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 8816386 LDIJWZANPYCUBL-LJQANCHMSA-N 448.834 3.458 0 50 IGAA NC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cccc(-n4cccn4)c2)C3)cc1 11976664 YRYYNOKHCUIUQN-QFIPXVFZSA-N 438.487 3.372 0 50 IGAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccc(OC)c2)CC3)cc1 14746849 XMXCLQXSRDRXJI-UHFFFAOYSA-N 437.540 3.175 0 50 IGAA O=C(CCCc1ccccc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 14879504 NPJGLSRTIQDNEZ-HSZRJFAPSA-N 446.595 3.382 0 50 IGAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)CCn1ccc(C)n1)C2 15000755 GRVJRLBSCQEQAJ-LJQANCHMSA-N 433.508 3.464 0 50 IGAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN([C@H]1CCN(Cc3ccccc3)C1)CC2 20110020 MQKNTSXQFKAVBQ-SFHVURJKSA-N 449.521 3.170 0 50 IGAA CN(Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1)C[C@@H](O)c1ccccc1 20913855 WFISPVAQLOMMGA-OAQYLSRUSA-N 425.916 3.124 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)c4cccc(Cl)c4)CC3)n[nH]c2=O)cc1 169770673 LYGSMZUFIZCONA-UHFFFAOYSA-N 426.904 3.302 0 50 IGAA CS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cn1 170641894 JYPHSMCTNHMWAY-UHFFFAOYSA-N 437.521 3.129 0 50 IGAA COC(=O)C[C@](C)(NC(=O)Nc1cccc(I)c1)c1ccncc1 252503742 VGKNZENOBCXXTK-KRWDZBQOSA-N 439.253 3.286 0 50 IGAA C[C@H]1COc2ccccc2CN1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 782501502 SIRYFDMYNMLXDB-MRDQGFSESA-N 443.503 3.417 0 50 IGAA CC(=O)N1CCC(CC(=O)NCc2ccc(Cl)cc2)(N2Cc3ccccc3C2=O)CC1 952963376 PNWHDUXCIMRNKY-UHFFFAOYSA-N 439.943 3.383 0 50 IGAA CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=O)[C@@H](C)c1cccc(Br)c1 2325877087 IOEWJDDYAZYLBW-AGRHKRQWSA-N 448.361 3.433 0 50 IGAA Cn1c(=O)c2c(nc(SCc3ccccc3F)n2Cc2cccc(F)c2)n(C)c1=O 1180712 IHBFJWRITVXJFM-UHFFFAOYSA-N 428.464 3.053 0 50 IGAA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2 2796902 MPQYNYQMIXZBOP-UHFFFAOYSA-N 438.274 3.099 0 50 IGAA COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N=C(O)[C@H]3ON2c2ccc(Br)cc2)cc1 11859651 SZILRFRNINFUAK-XHSDSOJGSA-N 431.242 3.210 0 50 IGAA COC(=O)CC[C@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 12435782 AWRMRIFIKNQBHQ-SFHVURJKSA-N 425.529 3.197 0 50 IGAA CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 101791807 VWPLRSZVLKGYMI-KHKYPALMSA-N 430.504 3.470 0 50 IGAA CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@H]2CCCN21 251920483 AMZNLDQBZRCRRJ-FUSMBFRDSA-N 429.520 3.297 0 50 IGAA O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 746252186 RJSNFTOFRLXPHY-ROUUACIJSA-N 447.557 3.243 0 50 IGAA CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 1458124666 YAQVPSZCRRIKFI-ZDUSSCGKSA-N 426.477 3.012 0 50 IGAA O=C1CCc2cccc(c2)Oc2cccc3c2OC[C@]2(CN1)CN(C(=O)c1ccc[nH]1)C[C@H]32 1857727738 YOQYUCBONFXQCA-IBVKSMDESA-N 443.503 3.488 0 50 IGAA Cc1nnc(Cc2ccc(C(=O)N[C@@](C)(CO)Cc3ccc(Br)cc3)cc2)o1 1875362456 FVVZOWZTKNULSY-OAQYLSRUSA-N 444.329 3.455 0 50 IGAA COc1cc(C(=S)N2CCCC2)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2142359 OJWDZBSOGRESEE-UHFFFAOYSA-N 434.539 3.193 0 50 IGAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1C 2880010 ZPDLIYNGCJZZQC-GOSISDBHSA-N 443.569 3.333 0 50 IGAA O=C(CC[C@@H]1CCCN(Cc2cccc3nccnc23)C1)N1CCN(c2ccccn2)CC1 12387253 TUWBFEHIEOXSRD-NRFANRHFSA-N 444.583 3.366 0 50 IGAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccccc2)cc1N1CCNC1=O 14884893 USXTXTZPUNXHOC-FQEVSTJZSA-N 432.524 3.406 0 50 IGAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCc4cccc(C)n4)c3C)ncc1CC2 14977144 FRMGYNVCHLKVMC-UHFFFAOYSA-N 440.507 3.378 0 50 IGAA Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(C[C@@H]5CC=CCC5)CC4)c3C2=O)n1 15007668 IMTBQMOZJIGTQQ-OAQYLSRUSA-N 447.583 3.274 0 50 IGAA COc1cccc(CCc2nnc(CCC(=O)N3CCN(Cc4cccs4)CC3)o2)c1 19741618 KVGCDFPUOBAAQN-UHFFFAOYSA-N 440.569 3.202 0 50 IGAA COc1cc(-c2n[nH]cc2CN2CCN(c3ccc(Cl)cn3)CC2)cc(OC)c1OC 19792609 IQVDQJQNWVLEHD-UHFFFAOYSA-N 443.935 3.473 0 50 IGAA CC(C)Cc1ncnc(Nc2ccc(N3CCOCC3)nc2)c1I 225650158 WSNBBSGFKCWOMO-UHFFFAOYSA-N 439.301 3.255 0 50 IGAA C[C@H](CCc1ccccc1)NC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 245257621 AGMBRVYXCZSWBT-CDHQVMDDSA-N 443.594 3.118 0 50 IGAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N3CCCC[C@H]3c3cccnc3)N=C2O)cc1 252540557 PMLHRJLYXQBEDU-RTWAWAEBSA-N 436.512 3.249 0 50 IGAA O=C(Nc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263616996 LONSTHGTFXFOBA-HSZRJFAPSA-N 432.528 3.336 0 50 IGAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3nc(-c4ccccc4)no3)ccc21 670472342 ZLAGYOQVUJKRCO-AWEZNQCLSA-N 426.498 3.075 0 50 IGAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(-c4n[nH]c(C)c4C)o3)CC2)cc1 825168389 FNSLEOWPIUJPGC-UHFFFAOYSA-N 442.541 3.178 0 50 IGAA COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3N3C(=O)N[C@H](C)C3=O)n2)cc1 952968080 JNEFVKVKXZDOIT-CQSZACIVSA-N 449.467 3.151 0 50 IGAA COCc1noc(CN2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)n1 1857700273 QDZWNGXRDDWTAA-FQEVSTJZSA-N 442.560 3.205 0 50 IGAA O=C([C@H]1CCCCN1Cc1cn(-c2ccccc2)nn1)N1CCCC[C@H]1c1nncs1 1875358264 PFHVMUCMWBAKIZ-VQTJNVASSA-N 437.573 3.227 0 50 IGAA O=c1nc(-c2ccccc2)on1Cc1ccc(Cn2oc(-c3ccccc3)nc2=O)cc1 2325735152 CBXHLXVVVDRHJB-UHFFFAOYSA-N 426.432 3.417 0 50 IGAA Cc1ccccc1[C@H]1CCCCN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896107 REIITQIHYAVLOE-FGZHOGPDSA-N 445.519 3.123 0 50 IGAA O=C1c2ccccc2S(=O)(=O)N1C[C@H](O)CN1c2ccccc2Sc2ccccc21 877995 IMNYVCDBGTXLAY-OAHLLOKOSA-N 438.530 3.495 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1 882958 YRXCAKMVZHQUAR-UHFFFAOYSA-N 426.498 3.398 0 50 IGAA Cc1nc(C)n(CC(=O)NC[C@@H]2Cc3cc(-c4cnc5ccccc5c4)cc(F)c3O2)n1 12079561 COQUTUCTTORVFX-FQEVSTJZSA-N 431.471 3.369 0 50 IGAA CCN1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)[C@@H](C)C1=O 12299619 OSZYUSCDYXREAV-NRFANRHFSA-N 449.595 3.465 0 50 IGAA COc1ccccc1CCNC(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 12433236 RMKVPUCIDSRWKJ-UHFFFAOYSA-N 426.513 3.066 0 50 IGAA COc1ccc2[nH]cc(CCn3ccc4c(cnc5nc(C(F)(F)F)nn54)c3=O)c2c1 13692031 UDZIGHVLUOVBSL-UHFFFAOYSA-N 428.374 3.191 0 50 IGAA O[C@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccccc2F)CC1 19867845 CTUFVSMQHIDQAV-AWEZNQCLSA-N 445.279 3.428 0 50 IGAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c2ccccc12 19939610 OCQNUAFKLCUAHD-UHFFFAOYSA-N 445.523 3.064 0 50 IGAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 170614647 ALZOIYVVWPBNLY-WOJBJXKFSA-N 429.446 3.194 0 50 IGAA COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239119567 IVNLTUWZWTUYRR-AKGHTDQDSA-N 442.515 3.298 0 50 IGAA COc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2N=C(O)N(c3ccccc3)C2=O)c(OC)c1 252507954 WYAXIEZIHGKXSC-UXHICEINSA-N 437.496 3.477 0 50 IGAA COc1ccc([C@H](CC(=O)NCCc2c[nH]cn2)c2c(O)c3ccccc3oc2=O)cc1 253470526 BHKFQDQXHCWJGW-IBGZPJMESA-N 433.464 3.111 0 50 IGAA CCN(CCN(C)C)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4OC)c(=O)c23)C1 299784265 JHFMCYOYGMZZDU-GOSISDBHSA-N 440.613 3.256 0 50 IGAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c1 490626030 MVZQQSYQJONXQZ-UHFFFAOYSA-N 435.977 3.331 0 50 IGAA CCc1nc(C)c(C(=O)NC2C[C@@H]3CN(C(=O)c4cn5ccnc5s4)C[C@H]3C2)s1 2325876367 SOGQBYFSXXFRGI-CHWSQXEVSA-N 429.571 3.004 0 50 IGAA COc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Br)c3)C2=O)cc1 1051835 LUQIGSBMKSXTKE-INIZCTEOSA-N 449.326 3.462 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccccc1 2504044 KFBUHBWIMHHZSG-UKRRQHHQSA-N 430.526 3.036 0 50 IGAA COc1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 8452126 TZAUHYCQCPDNMO-UHFFFAOYSA-N 434.533 3.474 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1 9120438 NMJUHKKJILUPJC-UHFFFAOYSA-N 445.560 3.209 0 50 IGAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 9845887 XJSYBISNNRDMDV-UHFFFAOYSA-N 447.919 3.381 0 50 IGAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)Cc2cccnc2)CC1 11937492 YFESOGDZQKSNEA-UHFFFAOYSA-N 433.512 3.092 0 50 IGAA CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1OCC 12412231 JWMUPWRCABMTRA-UHFFFAOYSA-N 439.486 3.089 0 50 IGAA Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 17097652 AVZNAFQLSINNFH-UHFFFAOYSA-N 431.583 3.166 0 50 IGAA COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CC[C@@H](C)C2 17097942 OBAGHYHXDIPDEW-GFCCVEGCSA-N 432.498 3.174 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 19781665 RRNLTRIQEINHMW-UHFFFAOYSA-N 446.544 3.056 0 50 IGAA CN1CCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)CC1 20351937 KZVPUJNUONECOZ-WWKNUYBVSA-N 429.992 3.429 0 50 IGAA COc1ccc(CCN[C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 23312179 FEZPRYOONSKCOU-NRFANRHFSA-N 432.568 3.331 0 50 IGAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)cc1 23337823 AUOVYOAANFBFIJ-KRWDZBQOSA-N 445.566 3.049 0 50 IGAA COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 27619139 DVBATKLFQCCUII-OWEKAKITSA-N 438.948 3.283 0 50 IGAA in-vitro Cc1cc(=O)c2cc(Cl)ccc2n1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 252519031 ATJSSPXDJJPRCC-LJQANCHMSA-N 437.883 3.257 0 50 IGAA COc1ccc(F)c2[nH]c(C(=O)N3CCNC(=O)[C@@H]3c3cccc(Br)c3)cc12 476530201 FHOHDQCMKWJNHU-SFHVURJKSA-N 446.276 3.391 0 50 IGAA CCOc1cc2c(cc1CNC(=O)C(=O)Nc1ccc(OCC)c(OC)c1)O[C@H](C)C2 481204879 ZRRKYPZBOQVTNW-CQSZACIVSA-N 428.485 3.071 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1F 1704307978 OEFLDZGSBVWJDV-AWEZNQCLSA-N 428.468 3.002 0 50 IGAA CC(C)c1nnc(N2C[C@H](C(=O)NC3(CN4CCCCC4)CCCCC3)CC2=O)s1 1857737298 GPAGZYALZZHYNO-QGZVFWFLSA-N 433.622 3.319 0 50 IGAA CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301128 AYKPTJABGYUICQ-QGZVFWFLSA-N 449.495 3.180 0 50 IGAA O=C(CCc1nnnn1-c1ccccc1)Nc1cccc(C(=O)NCc2ccccc2)c1 2325711030 YRZARLXJAQPRLK-UHFFFAOYSA-N 426.480 3.164 0 50 IGAA CC[C@H](NC[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C 2325722315 KKJMYWRMFBTNQA-GMAHTHKFSA-N 437.584 3.286 0 50 IGAA Cc1c(Nc2nc3nonc3nc2Nc2ccccc2F)c(=O)n(-c2ccccc2)n1C 973690 DTUOOAUMIWGTOF-UHFFFAOYSA-N 432.419 3.437 0 50 IGAA O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN(c2ncccn2)CC1 1068487 KCAXCSNLKLCDOF-UHFFFAOYSA-N 435.438 3.086 0 50 IGAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1cccc(Br)c1 1108623 SVMJNYIJAQSQAR-UHFFFAOYSA-N 431.739 3.185 0 50 IGAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 1147053 NDHFPPVVLIDVPM-MRXNPFEDSA-N 431.558 3.236 0 50 IGAA CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1 2862201 URXYABPXLWHPEI-UHFFFAOYSA-N 430.559 3.048 0 50 IGAA COc1cccc(CN(C)C(=O)c2ccc(-n3cc(NC(=O)[C@@H]4CCOC4)cn3)cc2)c1 12150053 GFZIDLOCOBLPPE-LJQANCHMSA-N 434.496 3.128 0 50 IGAA CC(C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccc(-n3cccn3)cc2)c1=O 12213496 DETBCAZSCUIBPU-UHFFFAOYSA-N 447.539 3.217 0 50 IGAA O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1CCc1ccccc1 13153344 SJSRBZNEGNDKOH-UHFFFAOYSA-N 442.519 3.350 0 50 IGAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccccc2)C3)cc1 14752384 NBSIIVUYPRYXBW-UHFFFAOYSA-N 444.535 3.225 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2ccnn2C)O3)c1 14980955 XLLWZKJJPSOTIN-MRXNPFEDSA-N 427.888 3.491 0 50 IGAA COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 18285060 LJJACJJQVXHZCK-MRXNPFEDSA-N 432.885 3.130 0 50 IGAA CCn1cc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)Cc2ccn(CC)n2)cn1 20614311 FEJVTCMDTDFANT-UHFFFAOYSA-N 426.546 3.034 0 50 IGAA Cc1noc([C@@H]2COCCN2C(=O)CCOc2ccc(Cl)cc2Br)n1 170594334 VUHJNRBBRTZVDZ-ZDUSSCGKSA-N 430.686 3.163 0 50 IGAA C[C@@H]1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C 225499480 SSDYKAPJHGKOIK-NQIIRXRSSA-N 443.588 3.229 0 50 IGAA C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238900824 KHZBGCXATFJJRM-BZUAXINKSA-N 427.497 3.446 0 50 IGAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4C[C@H](C)C[C@H](C)[C@H]43)C2=O)cc1 248120449 DTGAJXXDKPSZGA-FCRVGAKHSA-N 433.508 3.372 0 50 IGAA O=C1CC2(CCN(C(=O)c3csc(-c4ccc(Br)s4)n3)CC2)CN1 465366309 RSDVEEQLQHBWPR-UHFFFAOYSA-N 426.361 3.376 0 50 IGAA CC(C)N1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)O)CC1 1506427482 MANRDHCJWKKYLC-UHFFFAOYSA-N 426.513 3.462 0 50 IGAA COCCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(c2ncccn2)CC1 1857687184 QGEYVCAKLOKRSE-UHFFFAOYSA-N 430.556 3.288 0 50 IGAA CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cnc(OCc2ccccc2)cn1 1875333931 QGRYJDZNJIRCDS-UHFFFAOYSA-N 446.507 3.396 0 50 IGAA Nc1cc(F)cc(C(=O)N2CCc3ccccc3[C@@H]2CCNC(=O)c2ccnc(O)c2)c1 1875359150 WHKFMJZRCHSKRF-NRFANRHFSA-N 434.471 3.068 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 655115 OXZZRVMSLYOBGW-LBPRGKRZSA-N 427.320 3.251 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(C)cc2)cc1OC 839911 DSLCKEKXZJCVFP-UHFFFAOYSA-N 446.569 3.466 0 50 IGAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c(Br)c1 1063009 ZVVUZYJJXOPHGB-UHFFFAOYSA-N 441.347 3.462 0 50 IGAA NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2Br)CC1 1088384 DXCPLYJUFLTSHY-UHFFFAOYSA-N 430.302 3.039 0 50 IGAA COc1ccc(CCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 2170353 PVIKOTONWWFSFU-UHFFFAOYSA-N 442.512 3.389 0 50 IGAA Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccc(F)c1 9264564 IKYFZROHDGRQEC-UHFFFAOYSA-N 427.505 3.189 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)Cc2ccc(O)cc2)CC1 12048981 MOGSMPBLUQFXOM-SFHVURJKSA-N 442.556 3.251 0 50 IGAA CCN(Cc1ccncc1)C(=O)c1cc(-c2cccc(OC)c2OC)cc(-n2cnnn2)c1 12150644 DGHAPJHKXFJJKT-UHFFFAOYSA-N 444.495 3.404 0 50 IGAA Cc1c(CNCc2cc3cc4c(cc3n(CCN3CCCCC3)c2=O)CCC4)cnn1C 12155677 ATCDDHSYKONPRY-UHFFFAOYSA-N 433.600 3.308 0 50 IGAA COc1ccc(CNCCCc2scnc2C)cc1OC[C@@H](O)CN1CCCCC1 12385853 YPSRHHUIWPSSOB-FQEVSTJZSA-N 433.618 3.408 0 50 IGAA COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN(C)C1CCCCC1 12433365 WNQCOJSKRFXUSX-HXUWFJFHSA-N 442.604 3.201 0 50 IGAA COc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC 13403840 NNUVRORHIJKYAL-IZILLXMLSA-N 444.915 3.423 0 50 IGAA C/C=C(\C)CN1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC 14539264 LMQWKKIBWUXDON-PTXOJBNSSA-N 429.561 3.297 0 50 IGAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 14543710 UWVQSCIQDHDOCF-XBXARRHUSA-N 449.551 3.205 0 50 IGAA CCN1CCN(C[C@H](O)COc2cccc(CNCCc3ccc(Cl)cc3)c2)CC1 23358895 NZKQWHSRORVFGH-QHCPKHFHSA-N 432.008 3.050 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 67673947 SDUWTSIBVMCIDX-JOCHJYFZSA-N 435.568 3.471 0 50 IGAA C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccc(S(C)(=O)=O)cc1 225392009 VREOGXVZLPHCIU-HNNXBMFYSA-N 432.567 3.349 0 50 IGAA O=C1[C@H]2[C@H](C(=O)N1c1nn(Cc3ccccc3Cl)cc1Br)[C@H]1CC[C@H]2O1 239235292 VSQOTXBYWTYMIQ-KBUPBQIOSA-N 436.693 3.014 0 50 IGAA CN(C)C(=O)c1ccc(NC(=O)CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@H]32)cc1 240244195 DKUNDGCAEALTBH-RLLQIKCJSA-N 429.561 3.302 0 50 IGAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C 253418070 WTJPDAHXGPIMSK-HNAYVOBHSA-N 448.543 3.104 0 50 IGAA Cc1ccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)CC2)cc1 263615242 BIZYSKCNNQVBFC-NRFANRHFSA-N 437.931 3.474 0 50 IGAA Cc1cc(C(=O)N2C[C@@H]3[C@H](CN(C)CCc4scnc4C)[C@H]4CC[C@]3(C2)O4)cc(C)n1 1704309039 WLDXQIHGFQPJET-FBHSLPMESA-N 440.613 3.257 0 50 IGAA CCOc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)NC)c2ccc(F)c(F)c2)cc1OCC 2325714455 VTLOFOLOQPWZHX-JOCHJYFZSA-N 448.466 3.329 0 50 IGAA CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819988 XCDYILNOTXZMEI-UCNVEGJOSA-N 428.554 3.439 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(OC)cc2)cc1 656350 XTITXDQUXODDMF-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 678346 PQDSLWSIZBTHRV-UHFFFAOYSA-N 432.432 3.004 0 50 IGAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 936914 APBNXNFFOFPFMY-IBGZPJMESA-N 441.875 3.376 0 50 IGAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 1149155 YTRRBIBLPAPWOR-QGZVFWFLSA-N 443.352 3.484 0 50 IGAA COc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 1167656 QLHZFOQCWGTALH-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2190798 YATWMLZLHGTHQV-UHFFFAOYSA-N 447.376 3.328 0 50 IGAA O=C(Oc1cccc2cccnc12)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 2710169 JSZSKKMXYFGCEY-UHFFFAOYSA-N 432.885 3.128 0 50 IGAA CCOC(=O)C1=C(COc2ccc(C=O)cc2OC)NC(=O)N[C@H]1c1cc(C)ccc1C 12412522 QUTPUZAIHZDMTN-QFIPXVFZSA-N 438.480 3.375 0 50 IGAA CC[C@H](C)CC(=O)N1CCC([C@@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 14879178 PTSNDHCTHTXKMK-OYHNWAKOSA-N 434.606 3.369 0 50 IGAA N#Cc1ccccc1CCC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 208867560 LUGJZFBARPTPLB-UDWIEESQSA-N 449.488 3.072 0 50 IGAA CCOC(=O)[C@@H](NC(=O)c1cccc(C(=O)OC)c1)c1c(C)nn(-c2ccccc2)c1C 225508314 UGSXGDJRWATOPP-NRFANRHFSA-N 435.480 3.310 0 50 IGAA O=C(COc1ccc(Br)cc1Cl)N1CCC(Oc2cnccn2)CC1 225608607 IHTMVYDEXGXWIT-UHFFFAOYSA-N 426.698 3.341 0 50 IGAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 952873154 HDSNVNIRTAHFIB-HXUWFJFHSA-N 429.542 3.373 0 50 IGAA CCc1nsc(N2CCC([S@](C)(=O)=NC(=O)Cc3cc(F)ccc3OC)CC2)n1 2332238867 OOIBALLFEGZWPD-LJAQVGFWSA-N 440.566 3.084 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)cc1C 1078210 BMDIJDUJJVWWBV-UHFFFAOYSA-N 428.510 3.104 0 50 IGAA CC1(C)Cc2c(sc3nc(SCC(N)=O)n(CCc4ccccc4)c(=O)c23)CO1 2281769 NDYVZPDDYUZPGJ-UHFFFAOYSA-N 429.567 3.129 0 50 IGAA CCOC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl 3130899 JYHKCIHTXCULDZ-LLVKDONJSA-N 428.725 3.202 0 50 IGAA CCN(CC)C(=O)c1sc(NC(=S)N[C@H](C)[C@H]2CCCO2)c(C(=O)OC)c1C 5060199 CFLYHGGFLAMILV-CHWSQXEVSA-N 427.592 3.179 0 50 IGAA CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@]12C(=O)N1c3c(cc(C)cc32)[C@H](C)CC1(C)C 9413775 MFQSZDNBKNFRTN-YYUOZPCZSA-N 436.512 3.071 0 50 IGAA CCCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 10150796 DJUICHBZCZOCDZ-UHFFFAOYSA-N 425.304 3.306 0 50 IGAA Cc1nonc1CN(C)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11878536 OOUYIZMOWIVZLM-UHFFFAOYSA-N 432.528 3.199 0 50 IGAA Cc1nnsc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12094156 KQXOOXVYHLCFKC-UHFFFAOYSA-N 438.557 3.482 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H](COc3ccc(CN(C)Cc4ccon4)cc3)C2)n(C)n1 14881494 LRBQPHXWBPYBRV-FQEVSTJZSA-N 437.544 3.280 0 50 IGAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NC[C@H]2COc3ccccc3O2)c1C 14997778 IFHNFFCEXNENIK-FQEVSTJZSA-N 448.519 3.286 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1 18148862 AVCQPHOVTUYGFG-WOJBJXKFSA-N 442.493 3.092 0 50 IGAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c1 20909915 ITUJESOMQBOYPY-HNNXBMFYSA-N 441.482 3.114 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1C2CC3CC(C2)CC1C3 55370944 GIQRSNCXRMAHGO-WMYICXQXSA-N 433.955 3.111 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc5[nH]ccc45)ccn3n2)cc1 169775909 DSPLQNXBOLEOLU-UHFFFAOYSA-N 441.491 3.473 0 50 IGAA CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)c1nc2ccccc2n1C 334162700 XTVHJBJJQSFQLZ-LWCVALJOSA-N 429.590 3.112 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O 390827089 DVSCLZPQTFJALQ-QTJGBDASSA-N 441.616 3.407 0 50 IGAA biogenic CN(C)c1nnc(-c2ccc(NC(=O)C(=O)Nc3cc([C@@H]4C[C@H]5CC[C@H]4C5)[nH]n3)cc2)o1 426604946 LKWXWVPHDWAYLN-DUVNUKRYSA-N 435.488 3.007 0 50 IGAA CN(C)[C@@H](C(=O)OCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F 1875258357 JZSZVIVDRXLCNQ-QGZVFWFLSA-N 441.360 3.305 0 50 IGAA Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H]1C=CS(=O)(=O)C1 2325707359 MVFXWCKCPUUEGW-LLVKDONJSA-N 428.894 3.142 0 50 IGAA O=C(c1ccc(N2CCOCC2)nc1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356140279 CDFJERWPOSJIRM-UHFFFAOYSA-N 432.524 3.104 0 50 IGAA CCOC(=O)c1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)sc2c1CCCC2 813773 IVFHVIZUQQFDSQ-UHFFFAOYSA-N 436.555 3.452 0 50 IGAA COc1ccc(C)cc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2C)n1C 2877993 NITWTLXKEMNMOY-UHFFFAOYSA-N 439.541 3.353 0 50 IGAA O=C(O)CCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Br 2982567 RXGRXELXPVBJRT-LGMDPLHJSA-N 431.286 3.201 0 50 IGAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3ccccn3)CC2)c(C)c1 12156073 WGVOJLBDYRNTNM-QFIPXVFZSA-N 432.568 3.290 0 50 IGAA CCc1nc2cc(C(=O)N(C)Cc3ccn[nH]3)cc(NC(=O)c3ccccc3OC)c2n1C 12246566 IISYEPCJRVZAQO-UHFFFAOYSA-N 446.511 3.392 0 50 IGAA CCn1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(C(=O)NCCOC)n1 19640676 CNAIBOHFXDWSMQ-UHFFFAOYSA-N 444.495 3.142 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3N(C)C)CC2)c(C)c1 170681727 WSEQARPJTRQYAQ-UHFFFAOYSA-N 429.586 3.433 0 50 IGAA CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Br)cc3nn[nH]c23)cc1C 225726944 FCXMJCHLVBVYLC-UHFFFAOYSA-N 438.307 3.043 0 50 IGAA C[C@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 229758099 MPSDIUNPKJSJKX-LVCYWYKZSA-N 431.577 3.312 0 50 IGAA CCCCNC(=O)C1(NCc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CCCCC1 485438861 NSXOCJWZMNEBKX-UHFFFAOYSA-N 442.486 3.251 0 50 IGAA Cc1cc(=O)c(C(=O)N2CC[C@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)cn1C 952894060 PJIGMCBVAJEHKR-FQEVSTJZSA-N 432.402 3.090 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](Cc3ccccc3)c3nc[nH]n3)CCCCC2)o1 1857526934 RVXXVWXKDVSIMX-SFHVURJKSA-N 436.512 3.464 0 50 IGAA COc1cc2cc(Cl)[nH]c(=NC[C@@H]3CN(Cc4ccncc4)CCO3)c2cc1OC 1875341821 JNPNOBFXSFFLCE-QGZVFWFLSA-N 428.920 3.035 0 50 IGAA CC[C@H](C)Nc1nc(NC(C)C)nc(Oc2ccc(C(=O)O[C@H](C)C(=O)OC)cc2)n1 1166627 LMJPBQIILSUGRH-UONOGXRCSA-N 431.493 3.413 0 50 IGAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3F)cc2)n1 6229108 AHNFHGGCLUIVBR-OAHLLOKOSA-N 444.488 3.439 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc(-n2cccn2)cc1 11785901 OIUMEOYMDDZDRY-HSZRJFAPSA-N 431.540 3.211 0 50 IGAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1n[nH]c2c1CCC2 11818665 RLTLEVPDAWMOON-UHFFFAOYSA-N 449.643 3.172 0 50 IGAA Cc1ccccc1[C@]1(CC(=O)N(C)[C@@H](C)c2ccon2)CC(=O)N(Cc2cccnc2)C1=O 12151821 FEKUWFHZAULBNQ-BVZFJXPGSA-N 446.507 3.185 0 50 IGAA O=C(c1nn(CCCc2ccccc2)c2c1CN(Cc1ccoc1)CC2)N1CCOCC1 14753573 MDLLQDOTBOXZTP-UHFFFAOYSA-N 434.540 3.140 0 50 IGAA CN(C)CC(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)Cc2cccc(F)c2)CC1 14953905 LLAOWIGSRNWMEW-DEOSSOPVSA-N 439.575 3.238 0 50 IGAA O=C(Cn1cnc2ccccc2c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19831871 LHOJDRXPPOEBPD-UHFFFAOYSA-N 438.531 3.330 0 50 IGAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cnn(C(F)F)c2)n1 20614828 PEXSLPFONXZFMD-UHFFFAOYSA-N 448.499 3.410 0 50 IGAA CSc1ccc(C(=O)N2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)cc1 20774797 XVLHTJVVMQOWGC-UHFFFAOYSA-N 439.581 3.107 0 50 IGAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN2CCCN(C3CCCC3)CC2)C[C@@H](C)O1 22913981 PYBPOXGYXMCSKU-HDICACEKSA-N 445.633 3.096 0 50 IGAA C[C@@H](NC(=O)c1ccc(CN2CCN(C3CCCCC3)CC2)[nH]c1=O)c1cccs1 23361216 PLDHGOSQFVCNBB-QGZVFWFLSA-N 428.602 3.378 0 50 IGAA COCCn1c(CN(C)C[C@@H]2CCCCO2)cnc1S(=O)(=O)C1CCCCCC1 55035804 LMJWWAWLKMRMNJ-IBGZPJMESA-N 427.611 3.027 0 50 IGAA O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 101608016 KMVQWJNMUDCRIJ-YXUGBTPSSA-N 440.908 3.449 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(CC)c2)C2=C1C(=O)OC2 169758145 VCPWDVDGBIDFJE-QFIPXVFZSA-N 435.480 3.164 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@@H]45)[C@H]23)c(OC)c1 245255105 FNOJKBLDTYSVEE-TVZXLGOLSA-N 446.503 3.495 0 50 IGAA CC(C)c1cc(CN2[C@H]3CC[C@@H]2C[C@]3(Cc2cscn2)C(=O)NCc2ncc[nH]2)on1 1704327184 AOJRJZSEXKOXBH-WVBUVRCRSA-N 440.573 3.260 0 50 IGAA CN=c1ncc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)c[nH]1 1857704524 VZANOJTVKGQZLF-JOCHJYFZSA-N 437.588 3.042 0 50 IGAA CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3ncnn3c2=O)cc1 632324 JHRRWFVXXIEDAI-UDWIEESQSA-N 429.505 3.339 0 50 IGAA COC(=O)c1cc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)ccc1Cl 2868806 ZOVFFKNSWMCIOF-UHFFFAOYSA-N 449.287 3.324 0 50 IGAA O=C(NCCc1ccccc1Cl)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12278737 OQYKNEBTPFQMJE-UHFFFAOYSA-N 449.938 3.415 0 50 IGAA O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3cccs3)cc2)CC1 14989231 NPOWIPAKVOMTJZ-OAQYLSRUSA-N 441.597 3.486 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cc(F)cc(F)c2)C4)cn1 14994390 FHGVKHLQYUEGRQ-QGZVFWFLSA-N 441.507 3.165 0 50 IGAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(I)c(O)c(OC)c2)C1 16662945 UJDNIAVEGBLNDR-AWEZNQCLSA-N 446.329 3.086 0 50 IGAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1 19848235 TUZWNSIBMGCHLZ-MCADVSAISA-N 437.584 3.304 0 50 IGAA COC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccccc3C)c(C(=O)OC)sc2n1 39354675 VXEDEFOANDRIMV-UHFFFAOYSA-N 441.509 3.248 0 50 IGAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)cc1C 169775953 MBLYBXYVNOWTLL-UHFFFAOYSA-N 434.471 3.114 0 50 IGAA O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 170634311 VNAFBNCKDKUQOD-ZBVBZRCCSA-N 437.300 3.390 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 239231225 VDVLSQODWKNBDX-UWTIAYHASA-N 449.732 3.484 0 50 IGAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 936913 APBNXNFFOFPFMY-LJQANCHMSA-N 441.875 3.376 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2ccccc2)cc1 2931997 LTODBLWITRJPHI-UHFFFAOYSA-N 438.549 3.245 0 50 IGAA CCCOc1ccc(N2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 4572948 WVRRFCXQNRRNBM-SFHVURJKSA-N 426.513 3.204 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 11812751 RUQRXOHAZDDRRH-QHCPKHFHSA-N 437.540 3.406 0 50 IGAA CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCCC[C@@H]3CCN3CCCC3=O)o2)s1 12090304 YQAHSHXXHOPVMV-MRXNPFEDSA-N 444.557 3.327 0 50 IGAA CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1ccc(OC)cc1 12412557 KKYUGJOBFIQPSO-FQEVSTJZSA-N 429.904 3.310 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1)N1CCN(c2ccccn2)CC1 12430085 QJLINNAPJPSQSY-SFHVURJKSA-N 442.510 3.341 0 50 IGAA O=C(CCc1ccco1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C2CCCCC2)CC1 14970961 JMGCPBQQOHJIHQ-JOCHJYFZSA-N 427.589 3.318 0 50 IGAA COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)c(NC(C)=O)c2)ccc1=O 16650298 XKWVUYVQGGYPAE-UHFFFAOYSA-N 440.887 3.478 0 50 IGAA CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 20775723 DOPQZYUYPWKEMK-UHFFFAOYSA-N 431.584 3.394 0 50 IGAA CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCC(=O)NC2CCCCC2)C1(C)C 170602174 OREMYWSBWMWWPB-UZUQRXQVSA-N 439.597 3.040 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]1[C@@H]1CCCN12 249696496 SPGLMFFCGIPHHR-XHOYROJHSA-N 435.911 3.186 0 50 IGAA COc1ccc(CNC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c(OC)c1 263615223 BGAYGXWXAICUBY-UHFFFAOYSA-N 449.555 3.158 0 50 IGAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@H](n2cc(-c3cncs3)nn2)CC1 1875326822 NXGVFAPMTPTZBM-INIZCTEOSA-N 425.514 3.286 0 50 IGAA COc1ccc(-c2cncnc2)cc1[C@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4 2325760857 LNERWNQDROUOMZ-NRFANRHFSA-N 443.467 3.160 0 50 IGAA Cc1nc(C2CC2)sc1C(=O)N[C@H]1C[C@@H]2CN(C(=O)c3cn4ccnc4s3)C[C@@H]2C1 2325875721 AJNLFSCJDUVDKT-FICVDOATSA-N 441.582 3.319 0 50 IGAA COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2 799047 PYYUTPNVRJKPSI-CQSZACIVSA-N 430.526 3.172 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCc2ccccc2C1 983595 PSLLDRPSPKKILB-UHFFFAOYSA-N 436.533 3.129 0 50 IGAA CCOC(=O)N1CCN(c2nc(CN3CCCC[C@@H]3COC)nc3c(C)cccc23)CC1 11838687 QUCHFQGNHULLCE-LJQANCHMSA-N 441.576 3.218 0 50 IGAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1scnc1C 12052761 BLESUSYLKFTIKT-OAQYLSRUSA-N 436.666 3.055 0 50 IGAA CC1=NN(C(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)[C@@](O)(C(F)(F)F)C1 13960027 BZNYFMWPYLJOHB-ZDUSSCGKSA-N 445.186 3.320 0 50 IGAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cccc(O)c2)C3)cc1 14746559 ZCURRESNVKMDCF-UHFFFAOYSA-N 446.551 3.291 0 50 IGAA Cc1cc(C)n(Cn2nc(C)c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c2C)n1 20607510 VJUHNTOZSNBYMO-UHFFFAOYSA-N 435.454 3.162 0 50 IGAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2)CC1 20911956 OQEHLEZKEZPNKY-QPXUXIHVSA-N 433.596 3.172 0 50 IGAA COc1cc(C)c(-c2nc(CN3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)cc1C 67851044 CYXAAHBLEKVYTG-UHFFFAOYSA-N 427.545 3.346 0 50 IGAA Cc1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1 100703157 YKRUSBKZXPVDSR-IBGZPJMESA-N 443.341 3.373 0 50 IGAA COc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239305910 GEJAJLKIQWMXGS-AKGHTDQDSA-N 442.515 3.298 0 50 IGAA Cc1ccc([C@@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)[C@@H](C)S(C)(=O)=O)cc1 241124212 JGLDUGMXUNUHLW-IERDGZPVSA-N 426.542 3.376 0 50 IGAA CCOC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1Cc1ccccc1 248318877 PJRBLJAPEKFTPH-ZHALLVOQSA-N 444.601 3.465 0 50 IGAA CC[C@H]1CN(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)Cc2cc(OC)ccc2O1 299794641 LUXMSPOZDHAPGN-URXFXBBRSA-N 438.572 3.017 0 50 IGAA Cc1ccc(C)c([C@H]2CN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@@H](C)CO2)c1 461275090 CTDHRLBCNQNMOJ-FDDCHVKYSA-N 445.519 3.229 0 50 IGAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)nc1 464315775 FTVYJFLFOGMVHU-CQSZACIVSA-N 436.965 3.277 0 50 IGAA O=C(O)c1csc([C@H]2CCCN2C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n1 2325852142 UQDPYKMYYWDEOI-CQSZACIVSA-N 448.298 3.423 0 50 IGAA COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)cc1OC 655747 YCUQYPBKQHVBCN-UHFFFAOYSA-N 432.542 3.302 0 50 IGAA COc1ccc(C(=O)N[C@H](Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)C(=O)O)cc1 948554 XIRZJQWSRVGDOH-JOCHJYFZSA-N 449.459 3.349 0 50 IGAA CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)CC)C(Cl)(Cl)Cl)cc1 2867963 RQCIMOPULOESCE-CYBMUJFWSA-N 426.753 3.372 0 50 IGAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN2CCC(c3ccncc3)CC2)C[C@@H](C)O1 12306392 UEVUOJFZFYIHPI-CALCHBBNSA-N 439.585 3.420 0 50 IGAA CC(C)[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1)C(=O)O 12382006 CTMHBXCVVJCRGJ-AAGJOFLKSA-N 435.274 3.038 0 50 IGAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCC3(C=Cc4ccccc43)CC2)CC1 12442789 FQPFCJCXCBLKGQ-UHFFFAOYSA-N 434.588 3.272 0 50 IGAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14745282 NHUPYXIRKHFWMU-UHFFFAOYSA-N 429.564 3.440 0 50 IGAA Cc1ccc(-n2cc(CN3CCN(C(=O)c4nc[nH]n4)CC3)c(-c3ccc(F)cc3)n2)cc1 15961850 CZJAVMARPHYANN-UHFFFAOYSA-N 445.502 3.063 0 50 IGAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 19607381 MXHPQDGTUJSDAO-UHFFFAOYSA-N 437.499 3.197 0 50 IGAA CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 67338838 OYNQBJBXPUTRJQ-UHFFFAOYSA-N 429.586 3.030 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1F 169781382 KDSSJTQRZMSQEJ-UHFFFAOYSA-N 434.471 3.358 0 50 IGAA CC(C)c1noc(CCCNC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)n1 170594254 IDCHJDIXCNOREQ-QGZVFWFLSA-N 446.552 3.324 0 50 IGAA COc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)cc1 239174330 PTYLHMPCXAJLKJ-IFQWMDHTSA-N 444.487 3.479 0 50 IGAA O=C1[C@]2(Cl)[C@]3(Cl)[C@]4(Cl)C(=O)[C@@]5(Cl)[C@@](Cl)([C@@]14Cl)[C@@]2(Cl)[C@@]53Cl 254608118 OPKVZCAUZQWGAJ-DJGKPDDPSA-N 435.732 3.013 0 50 IGAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)C[C@@H]1OCCc3ccccc31)CC2 431984292 GOUBQKOHKWKAAN-UXHICEINSA-N 425.481 3.308 0 50 IGAA COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1ccc2c(c1)CCO2 1875253316 MYQDTZKUXIDPEM-ZEZYUPADSA-N 437.492 3.341 0 50 IGAA COc1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 624148 BORMKZRJEXVTLD-QFIPXVFZSA-N 425.510 3.280 0 50 IGAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 921555 QGFJFKCTYNUHNG-UHFFFAOYSA-N 442.468 3.384 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccccc1 2504043 KFBUHBWIMHHZSG-HIFRSBDPSA-N 430.526 3.036 0 50 IGAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)CCc2cccnc2)O3)cc1 11970581 OLUKILFJQYPYJB-NRFANRHFSA-N 436.533 3.205 0 50 IGAA CCOC(=O)N1CCN(c2nc3cc(OC)c(OC)cc3cc2CNCC(C)C)CC1 11983322 ZVYIVALRTDNBJA-UHFFFAOYSA-N 430.549 3.276 0 50 IGAA CCOC(=O)[C@H]1CCCN(Cc2nc(N3CCCC3)c3cc(OC)c(OC)cc3n2)C1 12155736 ZQDMUVQFXJJYMN-INIZCTEOSA-N 428.533 3.022 0 50 IGAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C1 12299744 AQWCZOHADNKYSY-CYBMUJFWSA-N 430.411 3.000 0 50 IGAA Cc1ncsc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 12429773 OBFQXERKYSGGGD-NRFANRHFSA-N 440.613 3.475 0 50 IGAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12613065 GLWOFOFLMRPVSO-NRFANRHFSA-N 437.945 3.117 0 50 IGAA O=C(CSc1nnc(NC(=O)CCc2ccccc2)s1)NCCOc1ccccc1 12630269 FMZQEJHLINRSRO-UHFFFAOYSA-N 442.566 3.397 0 50 IGAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16650991 DRJZGLNRHPYSQU-UHFFFAOYSA-N 434.539 3.232 0 50 IGAA C[C@@H](C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1)N1CCOCC1 20999820 FRLNPWPFEJCKSF-IBGZPJMESA-N 433.556 3.011 0 50 IGAA O=C(NCc1cccc(CN2CCOCC2)c1)c1cc(Br)cc2[nH]cnc12 225726487 LYEDHUCBPUXAGZ-UHFFFAOYSA-N 429.318 3.088 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Br)cc1Cl 239231224 VDVLSQODWKNBDX-RDXDGJJNSA-N 449.732 3.484 0 50 IGAA C[C@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CCN1CC(C)(C)O 444550126 NOMCMAWEEGRTQJ-ZDUSSCGKSA-N 439.343 3.493 0 50 IGAA CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1 920267790 HCAOKXJSORYCBN-UHFFFAOYSA-N 434.521 3.386 0 50 IGAA COc1cccc(OCCN2CCN([C@H](C(=O)O)c3cc(C)c(OC)c(C)c3)CC2)c1 1529106446 PWEAVWHLOHHKFF-QFIPXVFZSA-N 428.529 3.143 0 50 IGAA COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 674054 KXFAEWURYMWOGG-UHFFFAOYSA-N 438.505 3.464 0 50 IGAA O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccc(I)cc1 719418 DJZRKOFNIAXRRA-UHFFFAOYSA-N 430.673 3.491 0 50 IGAA COc1ccc(CNCC2CCOCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12050652 YSHOBFJJOJRYNS-HSZRJFAPSA-N 428.573 3.083 0 50 IGAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 12186140 BUKCYINZJPWZDQ-IRLDBZIGSA-N 445.560 3.226 0 50 IGAA CC(=O)OCCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 12379960 QQWXKMYYUMPHMJ-XMHGGMMESA-N 445.313 3.289 0 50 IGAA biogenic CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(Cc2ccco2)c1=O 12413534 HGEKNPUVBDPKRI-UHFFFAOYSA-N 446.507 3.326 0 50 IGAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cnn(-c3ccccc3)c1)CC2 14752842 CSIHKHNOTZARHY-UHFFFAOYSA-N 429.524 3.301 0 50 IGAA O=C1c2cccc(N3CCN(C/C=C/c4ccccc4)CC3)c2C(=O)N1C[C@H]1CCCO1 14972930 JKFQSLSWHDHNTJ-AEVNEEFTSA-N 431.536 3.297 0 50 IGAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCc3ccccc3F)cc2Cl)CC1 15063106 SURFDEPIZGXFBC-UHFFFAOYSA-N 440.924 3.212 0 50 IGAA CN(Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)C[C@H]1COCCO1 19839721 UNBOCGXGELHYPP-SFHVURJKSA-N 434.968 3.241 0 50 IGAA Cc1c(C(=O)NCCN2CCOCC2)sc2ncnc(N[C@@H](C)c3cccs3)c12 20166283 VMSPETAUYPCIHB-AWEZNQCLSA-N 431.587 3.296 0 50 IGAA Cc1c(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)[nH]c2ccccc12 55370611 DMILSPRMCDKGCM-NRFANRHFSA-N 440.494 3.104 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C[C@H](C)O)c2)cc1 225745603 NPPRGNOFYOVZAG-QFBILLFUSA-N 432.542 3.262 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCO[C@@H](C(F)F)C3)cc2)c1 225757241 CANJXYKTGVSJNS-QGZVFWFLSA-N 425.453 3.177 0 50 IGAA CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1 1321324234 YHTPPFDNLASTRT-UHFFFAOYSA-N 448.560 3.066 0 50 IGAA O=C(c1n[nH]c2c1COCC2)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857702443 BMYNWLMKNBCTQB-FQEVSTJZSA-N 438.572 3.194 0 50 IGAA COc1ccc([C@@H](O)[C@H]2CCCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 1875264786 UWDPSDFTIMEFDA-UYAOXDASSA-N 433.434 3.388 0 50 IGAA CCCOc1cc2c(cc1CN1C[C@@H]3COCC[C@@]3(C(=O)N3CCCC3)C1)O[C@@H](C)C2 1875391939 FUOBPCKZWATHGM-NXQMDHLFSA-N 428.573 3.260 0 50 IGAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@H]4CC[C@H](N)CC4)C3)[C@@H]3CCCCN23)c1 2356146085 QQTOZDVNENJEOK-LQUXEAIISA-N 425.617 3.457 0 50 IGAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Br)cc1F 687759 TWBCSTDZDPQBDM-UHFFFAOYSA-N 429.311 3.031 0 50 IGAA CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 1795233 ZLXZBUVQIXGYNK-ZDUSSCGKSA-N 434.495 3.005 0 50 IGAA Cc1cccc(C)c1NC(=O)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 2461699 FHIBYCFBVXRDCO-HSZRJFAPSA-N 441.487 3.396 0 50 IGAA aggregator CN(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 11821518 CPCZQAQLRWUBCK-OAQYLSRUSA-N 449.599 3.129 0 50 IGAA Cc1c(C(=O)NCCCN2CCCC2=O)sc2ncnc(NCCc3ccccc3)c12 12329199 RGNWOKGETZQTOP-UHFFFAOYSA-N 437.569 3.397 0 50 IGAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 14745544 KGGZXXLYKQSOFF-UHFFFAOYSA-N 436.556 3.342 0 50 IGAA O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCN(Cc2ccccn2)CC1 20999101 SXIZKQLRMRXOLL-UHFFFAOYSA-N 438.535 3.269 0 50 IGAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNC[C@H]1CCCCN1C 39542687 YXODMLYPUFUUFI-LJQANCHMSA-N 425.602 3.284 0 50 IGAA COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c1OC 65362185 AUPQANSLLVEIOL-QGZVFWFLSA-N 448.527 3.452 0 50 IGAA O=C(CN1CCCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1)N1CCCC1 225420390 VTSFNVZRLHCVCX-UHFFFAOYSA-N 446.748 3.012 0 50 IGAA CCc1ccc(CN2C[C@H]3CN(CCn4cc(Cl)cn4)C[C@@]3(CCC(=O)O)C2)s1 1772817695 VCPTXJRREYWUBE-IERDGZPVSA-N 437.009 3.459 0 50 IGAA Cc1ccc(CCCC(=O)N2CCC[C@@H](c3ccc4c(O)nc(=O)n(C)c4n3)C2)cc1F 2080318034 WFZBMHXDYZNLIU-QGZVFWFLSA-N 438.503 3.211 0 50 IGAA CCOc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 652292 IZZHAZWJIQYPOA-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA O=S(=O)(c1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 847731 FTHVTCAQBMERFC-UHFFFAOYSA-N 444.372 3.457 0 50 IGAA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1 1818153 LIOPELJGVJNHLR-MOSHPQCFSA-N 429.505 3.340 0 50 IGAA COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC 6267806 SYHLFTPXTIPMBV-UHFFFAOYSA-N 440.521 3.477 0 50 IGAA COc1cc2nc(-c3ccccc3)c(CN[C@H]3CCS(=O)(=O)C3)cc2c(OC)c1OC 12079938 SCUBQTMLQDNDPZ-KRWDZBQOSA-N 442.537 3.204 0 50 IGAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1=O 12150280 IJHRFDCBBKXLCQ-UHFFFAOYSA-N 438.572 3.230 0 50 IGAA CC1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)C2)CC1 12150324 WZQGRXKOOVNJQS-HXUWFJFHSA-N 446.551 3.353 0 50 IGAA CC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)C1 12191579 ONUBPOCEYWGECS-MZNJEOGPSA-N 444.959 3.497 0 50 IGAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 12202400 DCQRWPGTKYFEBG-NSYGIPOTSA-N 442.531 3.373 0 50 IGAA Cc1ccc(C(=O)N2CCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)CC2)s1 12338037 IWDYENDVRAXRAI-UHFFFAOYSA-N 446.532 3.210 0 50 IGAA CCOc1cc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OC 19832052 MBGZCPGYPWKCAK-UHFFFAOYSA-N 444.528 3.078 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)cc(-n3cnnn3)c2)c(OC)c1OC 20272725 AZEKLFMDBJDBBR-OAHLLOKOSA-N 437.500 3.370 0 50 IGAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNC[C@@H]1CCCCN1C 39542690 YXODMLYPUFUUFI-IBGZPJMESA-N 425.602 3.284 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(F)c2)C2=C1C(=O)OC2 169758143 ODBWAEAAIPKSQP-NRFANRHFSA-N 439.443 3.049 0 50 IGAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)c(C)c1 169775759 MUVVGBKILLIMGX-UHFFFAOYSA-N 429.524 3.276 0 50 IGAA COc1ccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 169777560 XCXHISUMECICDH-UHFFFAOYSA-N 430.468 3.481 0 50 IGAA O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 230006084 FTXHVSGIWYTQBC-ZLGUVYLKSA-N 430.460 3.101 0 50 IGAA CC(C)CCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 230036200 QZBQHWZMRCUXMN-DRJBRKBZSA-N 435.517 3.447 0 50 IGAA COc1ccc([C@H](CC(=O)NCc2ccccc2)c2c(O)n3ccccc3nc2=O)cc1 1776111251 IUJREBSWDRREBS-FQEVSTJZSA-N 429.476 3.247 0 50 IGAA O=C(N=c1nc(SCc2ccccc2)[nH]s1)NC[C@@H](CO)Cc1ccccc1F 1875262143 PGLCUZSUGWTFAT-HNNXBMFYSA-N 432.546 3.364 0 50 IGAA O=C(NS(=O)(=O)c1cc(Cl)ccn1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 1875342960 BBSPSISYTDYJCY-GOSISDBHSA-N 442.880 3.308 0 50 IGAA Cc1ccc(S(C)(=O)=O)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 2325709522 AZIGHJHSISMPCW-UHFFFAOYSA-N 447.516 3.409 0 50 IGAA CNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(OC[C@H]4CCCO4)cc3C)ccc2[nH]1 2325719101 BMXLXOMWYDNBAB-GOSISDBHSA-N 443.525 3.195 0 50 IGAA COc1ccc(N([C@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 824429 MTAPMLOXBNFTNQ-GFCCVEGCSA-N 427.320 3.251 0 50 IGAA O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1cccc2ccccc12 855838 SFYVUAOGRFINQQ-MRXNPFEDSA-N 446.787 3.473 0 50 IGAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 2883130 CLEUNUKJCYNHQG-DLBZAZTESA-N 431.558 3.317 0 50 IGAA Cc1nc(N2CCC(N3CCC[C@@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12 11782830 KUOXDPGLMTYCEV-QGZVFWFLSA-N 436.535 3.375 0 50 IGAA COCC(=O)Nc1cc(C(=O)N(C)Cc2ccccc2)c2c(c1)nc(-c1ccncc1)n2C 11784833 FMRZNIZJKQXVSP-UHFFFAOYSA-N 443.507 3.492 0 50 IGAA CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)CC2CC2)CC1=O 14538371 RUUBVESTFPDTNW-SFHVURJKSA-N 428.451 3.350 0 50 IGAA Cc1ccccc1N1C(=O)[C@H]2N=NN(CC(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]2C1=O 18162412 OWXPNMZNYWAEHK-IRXDYDNUSA-N 432.267 3.234 0 50 IGAA Cc1ccc2c(CN3CCN(CC(=O)Nc4ccc(F)cc4F)CC3)cc(=O)oc2c1 20407847 CWOYDFUDYXHQJH-UHFFFAOYSA-N 427.451 3.136 0 50 IGAA O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H]1CCC(F)(F)C1 225480967 BQIHSYHDXJVASQ-NSHDSACASA-N 429.261 3.377 0 50 IGAA COc1ccccc1C(=O)N1[C@H](CC(=O)Nc2ccccc2C)C(=O)N[C@H]2CCCC[C@H]21 239302475 FIGDOCNLWXUSOK-PWRODBHTSA-N 435.524 3.284 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)C[C@@H]1N=C(O)N(c2ccc(OC)cc2)C1=O)c1nc2ccccc2[nH]1 252505079 VNXLDEXLSCWKGS-ONTRVFCTSA-N 449.511 3.494 0 50 IGAA COc1ccc(CCN2C[C@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)cc1OC 390826614 NVTKKEONNBLYQC-RTWAWAEBSA-N 437.540 3.244 0 50 IGAA biogenic Cc1ccc(-n2nc(C(=O)Nc3ccc4c(C(N)=O)cnc(O)c4c3)c3c2CCC3)c(F)c1 1875253241 XAJCEOUCHQBIAQ-UHFFFAOYSA-N 445.454 3.414 0 50 IGAA C=CC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1nn2c(c1C)OCCC2 1875383431 TYTDPUWNNXZPJJ-SFTDATJTSA-N 436.556 3.130 0 50 IGAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCCCC2)cc1 1209284 QIRSFKFHXUMEFH-UHFFFAOYSA-N 430.570 3.331 0 50 IGAA O=C1CC[C@H](C(=O)N2CCC(Oc3cccc(F)c3)CC2)CN1CCc1ccccn1 11938065 RWKRBRQZSCBNIH-SFHVURJKSA-N 425.504 3.072 0 50 IGAA CC(C)CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CCCO)n1Cc1ccccc1 12314220 DRSVXZWUYRQRRO-OAQYLSRUSA-N 433.618 3.488 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N(C)Cc2nonc2C)c1 12835578 LOXICUFRDVDULK-UHFFFAOYSA-N 428.533 3.445 0 50 IGAA O=C([C@H]1CC(c2cccc(Br)c2)=NO1)N1CCN(Cc2ccccc2)CC1 12847770 YXBRSKLIUSZIOM-HXUWFJFHSA-N 428.330 3.287 0 50 IGAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cc(C)n(C)n2)O3)n1 14990632 BEPUFHPHGFQGOQ-AWEZNQCLSA-N 429.933 3.294 0 50 IGAA CCCC(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 14993590 UIAXJNIOEXVLCA-QHCPKHFHSA-N 440.569 3.172 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 101695897 IGLCNLLYBLZOHH-VCXDHIOWSA-N 425.710 3.462 0 50 IGAA COc1cc2nc(C)n(CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)c(=O)c2cc1OC 169774000 IFTBIZLGPPOZQY-LJQANCHMSA-N 446.507 3.397 0 50 IGAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2CCc2nc3ccccc3n2C)cc1 299785594 KTRQSEKIXHFOJH-FQEVSTJZSA-N 434.540 3.073 0 50 IGAA Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3C(=O)O)ccc21 2325840442 AMGGDDGURYBTFU-UHFFFAOYSA-N 437.477 3.043 0 50 IGAA COc1ccc(S(=O)(=O)N2CCS[C@H]2c2cc(OC)c(OC)cc2OC)cc1 855087 MBPFNFLKBMFUNL-IBGZPJMESA-N 425.528 3.157 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccccc1 2504045 KFBUHBWIMHHZSG-ZFWWWQNUSA-N 430.526 3.036 0 50 IGAA Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C)nn1C 2794193 DHKNSXVUGXTOHG-UHFFFAOYSA-N 439.314 3.156 0 50 IGAA CCCN(CCC)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1 3670355 JUMQWHRXNZCDBW-XMMPIXPASA-N 440.544 3.131 0 50 IGAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O 9144684 CUJGFVJNAXPGMX-LDADJPATSA-N 440.477 3.304 0 50 IGAA COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 9556248 ZSDNZWVNXRKJFW-UHFFFAOYSA-N 446.569 3.044 0 50 IGAA COC(=O)c1ccc(CN2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 12099327 KBJILLMFKZGJKD-QHCPKHFHSA-N 441.553 3.257 0 50 IGAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)N(CC)CCn4cccn4)C3)nc(C)c2c1 14981518 ZDNCLUBCGOAKMQ-LJQANCHMSA-N 436.560 3.299 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCCO2 16400598 RROOITBFNGIXCE-UHFFFAOYSA-N 436.489 3.462 0 50 IGAA COCCn1c(CN2CC[C@H](c3cccc(Cl)c3)C2)cnc1S(=O)(=O)CC1CC1 19226868 CUNPIBOFSMERHA-SFHVURJKSA-N 437.993 3.356 0 50 IGAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@H](C)Cn3ccc(C(F)(F)F)n3)c2n1 20601996 XBTUYZYPSKNUFN-SNVBAGLBSA-N 448.371 3.487 0 50 IGAA Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 102679696 QWMQBMFYQUXOQU-GUDVDZBRSA-N 426.314 3.293 0 50 IGAA CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(C)c2OC)C[C@H]1CCO 104301670 TTWOXGZFQFUKCB-JOCHJYFZSA-N 428.573 3.480 0 50 IGAA C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCCN(C)S(=O)(=O)c1ccc(F)cc1 225413702 OPKMJZVMMJJLOR-LPHOPBHVSA-N 443.585 3.071 0 50 IGAA O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC=C(Br)C1 225655385 LYPJZAVQYOYSNW-NSHDSACASA-N 428.124 3.313 0 50 IGAA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239203137 RULHJIWGGRSOFJ-OEXHBKKASA-N 442.515 3.298 0 50 IGAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@@H](O)COC[C@H]1CCCO1)CC2 241160546 JYCNNEDJSSRMJR-OTPAQWSUSA-N 427.541 3.208 0 50 IGAA C[C@H](CC(=O)NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)cc1 777314977 MIFBMBNPQVEBOY-CQSZACIVSA-N 431.901 3.240 0 50 IGAA Cc1nc2cccc(-c3noc(C4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)n3)c2[nH]1 789843369 JPKKVTNFHFRWKI-UHFFFAOYSA-N 448.508 3.250 0 50 IGAA COc1ccc(C(=O)[C@@H](N[C@H]2CCc3ccccc3NC2=O)c2oc(C)cc(=O)c2O)cc1 1776111552 DYPOSAYYEWHIQI-PZJWPPBQSA-N 448.475 3.130 0 50 IGAA O=C(O)CCc1nc2c(O)nc(SCc3c(Cl)cccc3Cl)nc2nc1O 1875306834 DGIYHGQISVMXJF-UHFFFAOYSA-N 427.269 3.447 0 50 IGAA C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](OCc2ccccc2)C1 1875341123 HEHXMVXANUXBOS-YOEHRIQHSA-N 426.908 3.138 0 50 IGAA Cc1cc(C(=O)NC2([C@@H]3CCCN(C(=O)c4cc5cc(O)ccc5[nH]4)C3)CC2)cc(O)n1 1875358691 GBZBEPGBGWQNIH-QGZVFWFLSA-N 434.496 3.097 0 50 IGAA CC[C@@H]1CC[C@@H](C(=O)N2CCC([S@](C)(=O)=NC(=O)c3cccc4c3ccn4C)CC2)O1 2332238849 OBHRYVTZPUZBLX-MRVZAQDFSA-N 445.585 3.365 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 622915 IBXQWOAMHLLBJU-MUMAZLPKSA-N 428.897 3.045 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(F)cc3)c2=O)=N1 630923 DSADTPFTCSHYBO-DPWKNNTCSA-N 442.537 3.387 0 50 IGAA CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)c1 1078503 ISWDQGFVIOWHFN-UHFFFAOYSA-N 436.917 3.345 0 50 IGAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccncc1 1153377 YJPQESYHBYEYHS-UHFFFAOYSA-N 447.919 3.381 0 50 IGAA NC(=O)c1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 4241954 YOTDQRFXBNPJQA-JOCHJYFZSA-N 430.460 3.320 0 50 IGAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1Cl 9310578 FLESVFYJVDIDQD-ZPBCLNFZSA-N 438.936 3.452 0 50 IGAA C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc2NC1=O 9441081 LIRJVZHYBJVAIF-GFCCVEGCSA-N 438.958 3.253 0 50 IGAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)C1 14964641 SFUFHULMSYELAK-FQEVSTJZSA-N 428.492 3.298 0 50 IGAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2 15070354 GPDMNBHXPDCFPJ-IBGZPJMESA-N 449.555 3.342 0 50 IGAA CCN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1)S(C)(=O)=O 16648395 MMMPSWXWGOHEOC-UHFFFAOYSA-N 429.542 3.351 0 50 IGAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2cscn2)C[C@@H](C)O1 20254990 PTPCUKDICVDLQX-OKILXGFUSA-N 433.965 3.026 0 50 IGAA COc1cc(NC(=O)CSc2nc(=O)c3c(C)cc(C)nc3n2C2CC2)cc(OC)c1 20353646 JWQAYETXQVZKJR-UHFFFAOYSA-N 440.525 3.491 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc3ccccc23)CN1C1Cc2ccccc2C1 23362822 GQLLWSFRHPODCR-IGKIAQTJSA-N 443.591 3.302 0 50 IGAA O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccs1 101192532 KMVQWJNMUDCRIJ-LSOMNZGLSA-N 440.908 3.449 0 50 IGAA CC(C)(C)OC(=O)N1CCN(CC(=O)NCCc2cccs2)[C@@H](c2cccnc2)C1 225726727 DSRJIFQOWMWJHD-LJQANCHMSA-N 430.574 3.096 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409415051 SAHUXLQJUMGPKJ-SIKLNZKXSA-N 440.588 3.398 0 50 IGAA biogenic O=C(N[C@H]1CCS(=O)(=O)C1)NC1(Cc2ccc(Br)cc2)CCCCC1 499086675 WMWFXJBVIFLJDE-INIZCTEOSA-N 429.380 3.181 0 50 IGAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 1857692705 QDIMVVBFWUWCGM-UHFFFAOYSA-N 429.542 3.071 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nc3cc(C)ccc3o1)C2 1857694076 ZQZHMLDKYGGTTK-KHCICDEESA-N 427.545 3.397 0 50 IGAA N=c1[nH]n(C(=O)[C@H]2CCC[C@H](C(=O)n3[nH]c(=N)c4cc(F)ccc43)C2)c2ccc(F)cc12 1875350373 KDHAZWZDBMHUQN-RYUDHWBXSA-N 438.438 3.276 0 50 IGAA COC(=O)[C@]1(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)CCC[C@H]2C[C@H]21 2325827099 VECDHNJLPNURGP-HXZRUIPCSA-N 429.542 3.056 0 50 IGAA COc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 670193 QFNJMWTUXSOSHV-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 1151003 YQVXMALBIIDIDE-UHFFFAOYSA-N 431.297 3.185 0 50 IGAA COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1Cn1nc(C)c(Br)c1C 9971430 KMIJZKKRDNQFTK-BBRMVZONSA-N 426.336 3.108 0 50 IGAA COc1cc(CN(C)Cc2nc(C)c[nH]2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 11820076 XTSLNYOXATWURM-NRFANRHFSA-N 430.593 3.363 0 50 IGAA O=C(c1nc(N2CCCC2)nc2c1CCCC2)N(Cc1cccnc1)[C@H]1CN2CCC1CC2 12208051 GUHXVFCGTNMBHZ-QHCPKHFHSA-N 446.599 3.087 0 50 IGAA CCc1c(C(=O)NCCc2ccc(OC)cc2)c(=O)cc(C)n1C[C@H]1CCCN1CC 12451917 JPFFGIQWUYCYLV-HXUWFJFHSA-N 425.573 3.185 0 50 IGAA COc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12711489 QDRWKFPDANTWEN-XMMPIXPASA-N 443.547 3.369 0 50 IGAA COC[C@@H](C)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(OC)c2)C1 14533138 ATQGKTNMLRZUAB-YKSBVNFPSA-N 426.557 3.002 0 50 IGAA COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)CCc1ccc2c(c1)OCO2 14991491 AXYAQQKBRSHKII-YJBOKZPZSA-N 442.899 3.335 0 50 IGAA Cc1nc(CCNC(=O)c2cc(COc3cncc(Cl)c3)on2)nc2c1CCCC2 19145666 RQYRYWQIJOCONQ-UHFFFAOYSA-N 427.892 3.252 0 50 IGAA O=C(CN1CCN(CCOCCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 20529111 ZAOCXMSUNSWYEF-UHFFFAOYSA-N 447.988 3.096 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nn2)nc1 72140566 WLRHJRHFWFAMNZ-UHFFFAOYSA-N 444.948 3.088 0 50 IGAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1 263616514 JDBNEZFXRZGSHL-QGZVFWFLSA-N 432.528 3.422 0 50 IGAA COc1ccccc1OCCNC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263617745 PKOVSCFNUCWFPN-UHFFFAOYSA-N 446.503 3.425 0 50 IGAA CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(NC(N)=O)cc2)c2ccc(F)cc2)c1 464215259 BHHQRMYJXHUIRG-HXUWFJFHSA-N 441.484 3.239 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)(c2ccccc2)CC1 1445177157 WAVPZZPPVLXTBL-QHCPKHFHSA-N 440.584 3.310 0 50 IGAA Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NC3CCN(c4ncccn4)CC3)c2o1 1772491397 VWOGHDWBCJEPSV-UHFFFAOYSA-N 444.491 3.479 0 50 IGAA COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)ccc2c(C)cc(=O)oc12 1857526356 CGMUOCLNQHLHRR-KRWDZBQOSA-N 431.444 3.373 0 50 IGAA Cc1c(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cnn1-c1ccccn1 1857694431 OCMNADHMSRXBRF-UHFFFAOYSA-N 438.509 3.040 0 50 IGAA CSCc1c(C(=O)N2CCC(C(=O)N3CCC[C@@H]3C(N)=O)CC2)sc2ccccc12 1875260581 HITZIVZGWDFEMA-QGZVFWFLSA-N 445.610 3.093 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2csc3ccccc23)CC1=O 2325819538 HYJVYZITXSKFQR-HOCLYGCPSA-N 428.535 3.316 0 50 IGAA CC(C)(C)c1ccc(OC[C@H](O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 1124634 DJMZEXLWKNZQDI-MRXNPFEDSA-N 442.375 3.465 0 50 IGAA COc1cccc(N(CC(=O)Nc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 6161662 IFSFSDZTHMRTSL-UHFFFAOYSA-N 440.477 3.227 0 50 IGAA Cn1nc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)ccc1=O 11765896 ZZXGSEQQYBEHIU-CQSZACIVSA-N 436.434 3.070 0 50 IGAA CN(CCCCN1CCOCC1)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 11874229 ZCWDNQDGPNBYIZ-RUZDIDTESA-N 447.664 3.235 0 50 IGAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc(OC)c1 12439801 XXJBSFJYNGGFRT-GOSISDBHSA-N 433.549 3.079 0 50 IGAA COc1cccc(CCC(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c1 14882114 RGIMFZPQYXWPFF-SANMLTNESA-N 449.551 3.077 0 50 IGAA COc1ccc(CNCC2CCN(C)CC2)cc1OC[C@H](O)CN1CCCCCCC1 15064863 SPYPTYUEETYNCK-HSZRJFAPSA-N 433.637 3.132 0 50 IGAA O=C1NC(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1c1ccc(F)cc1 16448191 HBOOIWXJIKCTHZ-UHFFFAOYSA-N 432.455 3.451 0 50 IGAA O=C(c1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl)N1CCOCC1 16626065 YZMFHXNMKCUKAA-UHFFFAOYSA-N 429.325 3.408 0 50 IGAA O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(Br)c1 100058372 FDAZJJPNEHJHAO-GOSISDBHSA-N 432.293 3.042 0 50 IGAA Cc1cccc(OCC(=O)NCCn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 169754437 ZVSPOJZIEVRHNJ-UHFFFAOYSA-N 446.463 3.437 0 50 IGAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 248171930 WYSDXIZJJGIYLG-LDVJMBRRSA-N 430.504 3.100 0 50 IGAA COCCn1c(CNC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)nc2ccccc21 334162742 YTEXOLVTIKOPRP-JOCHJYFZSA-N 434.540 3.370 0 50 IGAA CCN1CCN(c2ccccc2NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1 479717601 SOEMWMLRHZBCIC-UHFFFAOYSA-N 437.592 3.168 0 50 IGAA O=C(c1cccn2cnnc12)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857707288 LUJSSCSWDJIVPR-NRFANRHFSA-N 433.556 3.441 0 50 IGAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(Cc2ccc(-c3cc[nH]n3)o2)CCCN1 1875240171 KKFHQKPUMLRHLF-HXUWFJFHSA-N 449.555 3.062 0 50 IGAA CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 1875259759 PGMFTGQPNBRWBC-HNNXBMFYSA-N 440.573 3.429 0 50 IGAA COc1ccccc1CCNC(=O)CNC(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1875264534 VAMGYQZLTVUVBN-UHFFFAOYSA-N 446.429 3.193 0 50 IGAA Brc1cnn(Cc2nc(-c3cc4ccccn4n3)n(CC3CCOCC3)n2)c1 1875349007 KCXVIGHDYAKZOX-UHFFFAOYSA-N 442.321 3.027 0 50 IGAA COc1ccc([C@H](CC(=O)NCCCc2ccco2)c2c(O)nc3ccccn3c2=O)cc1 2049511872 BSRHTJAVDRGUFV-FQEVSTJZSA-N 447.491 3.273 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccc3ncccc3c2)CC1 2100542635 BLKPOZONMFFORT-UHFFFAOYSA-N 431.540 3.047 0 50 IGAA COc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)cc1OC 975089 PKJBNGAXBFXCLF-UHFFFAOYSA-N 447.538 3.132 0 50 IGAA O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 10041940 UKPUZJNGOVRTAL-UHFFFAOYSA-N 436.508 3.006 0 50 IGAA CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NCc2c(F)cccc2F)c1=O 12454112 QQNHUTFYTCXTTJ-UHFFFAOYSA-N 439.462 3.049 0 50 IGAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1csc(SC)n1)CC2 14741853 AVOCSUMIVHEYDA-UHFFFAOYSA-N 448.492 3.389 0 50 IGAA CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C1CCOCC1)CC2 14748281 QODKRXXUZZWCDJ-UHFFFAOYSA-N 442.604 3.338 0 50 IGAA COc1ccc(CNCc2cc(NC(C)=O)cc(C(=O)N3CCCC3)c2)c(OC)c1C 14880069 ZKGGPYZNFXJOOF-UHFFFAOYSA-N 425.529 3.496 0 50 IGAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 14956090 SFQUFJKSJLOQPF-UHFFFAOYSA-N 442.589 3.341 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2ccccc2C)sc2c1CCN(C(=O)CC1CC1)C2 15005895 XKVOCQKHYWZEDK-UHFFFAOYSA-N 448.566 3.329 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)cc1 100899682 QLKXHLLJWCBSLE-RMVZNSSTSA-N 445.471 3.437 0 50 IGAA O=C(NCc1ccccc1F)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760230 RJNXDNFQHZQOIN-UHFFFAOYSA-N 430.483 3.492 0 50 IGAA O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 247737008 LOKZOBQZSBEFGP-ODAXIHTASA-N 436.471 3.204 0 50 IGAA Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CCC2(CC1)CNC(=O)C2 477362261 ACNJQOWLAGILQY-UHFFFAOYSA-N 445.361 3.053 0 50 IGAA Cc1cc2n(n1)CCN(S(=O)(=O)c1cc(-c3cc(C(F)(F)F)on3)sc1C)C2 1506424487 AOBUMMBZWBIIII-UHFFFAOYSA-N 432.449 3.440 0 50 IGAA COC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 1775972119 VUZPSACLDKGMIX-KRWDZBQOSA-N 426.421 3.348 0 50 IGAA CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819985 XCDYILNOTXZMEI-NQSCKRDGSA-N 428.554 3.439 0 50 IGAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc(OC)c1 11709442 KVSZMECJSHKDLZ-KRWDZBQOSA-N 426.517 3.382 0 50 IGAA CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1 12379441 RTNXRRHJYCJASG-UHFFFAOYSA-N 449.292 3.212 0 50 IGAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C3CCN(C(C)C)CC3)C2)c1 14745712 XTZFCSSCLNQCLR-XMMPIXPASA-N 431.621 3.253 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)NCc2cc(F)ccc2C)(c2ccccc2C)C1=O 14980815 CKIYCQIAQLWAHX-VWLOTQADSA-N 440.515 3.182 0 50 IGAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(Oc2ccccc2Cl)CC1 15067250 YHHLIXSJNCKUPD-OAQYLSRUSA-N 441.959 3.101 0 50 IGAA CN(Cc1ccno1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 15068213 QAFHEDGWTXLOIM-UHFFFAOYSA-N 436.560 3.045 0 50 IGAA C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2 20783487 NGJYNOFNGXYQAR-CYBMUJFWSA-N 447.436 3.384 0 50 IGAA O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1 22130670 CHRFTRJOEIJJQR-UHFFFAOYSA-N 440.433 3.136 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1F 169758033 GNSIJWOXUQRUQN-LJQANCHMSA-N 429.835 3.303 0 50 IGAA NC(=O)c1ccc(NS(=O)(=O)c2c[nH]nc2-c2cc(F)c(Cl)cc2Cl)cc1 170610538 BPLOPBXKUWDREE-UHFFFAOYSA-N 429.260 3.422 0 50 IGAA Cc1nc(CCNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)cs1 225704622 LNMNRZWDECGWRK-UHFFFAOYSA-N 435.756 3.036 0 50 IGAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2cc[n+]([O-])cc2)O3)c1 299772091 XRQZMOSQQZBDOM-LJQANCHMSA-N 438.867 3.161 0 50 IGAA C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCCC2(CCN(C)CC2)C1 799179370 JVSWPACYCDLFOY-OAHLLOKOSA-N 438.494 3.187 0 50 IGAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cccc(-c2ccc(O)cc2)c1 828916638 SECBYEZZTVJRGI-KJIXGKQBSA-N 439.559 3.357 0 50 IGAA CC[C@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1OC 1471279059 DBAUGUHZXZOFMT-QSFXBCCZSA-N 427.419 3.082 0 50 IGAA C[C@@H](CCO)C1(CNC(=O)c2cn([C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nn2)CCC1 1875334021 VFJLUXTXYPSDAV-JENIJYKNSA-N 449.596 3.205 0 50 IGAA CCOc1ccc([C@@H](CO)NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 2325860434 IHCLLCDHZCGGLY-OAQYLSRUSA-N 433.512 3.075 0 50 IGAA O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 1051333 AZLCVUAHHBCHTD-UHFFFAOYSA-N 448.911 3.022 0 50 IGAA Cc1ccccc1CSCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 2818188 GHHZWXWHSPFKAK-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCC2(CC1)OCCO2 2874452 BNBPTWKEOCOWKA-UHFFFAOYSA-N 432.402 3.394 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cccc(SC)c3)cc2)CC1 12194310 JQGNPWPGRNBZND-UHFFFAOYSA-N 428.554 3.355 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccc(F)cc1 32094485 CFXOKBVREGICGS-QGZVFWFLSA-N 430.907 3.338 0 50 IGAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1=O 102453673 DXRKULYOZXKAEF-CJAUYULYSA-N 445.604 3.311 0 50 IGAA COc1ccc([C@H]2CCCN2C(=O)CC[C@H]2N=C(O)N(c3ccccc3)C2=O)c(OC)c1 252507956 WYAXIEZIHGKXSC-WOJBJXKFSA-N 437.496 3.477 0 50 IGAA COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)C2=O)c1 252537427 LDSDGAWHUCYGMI-MRUHUIDDSA-N 447.413 3.316 0 50 IGAA COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)c(OC)c1 263615358 BZRFILDBSDLZGX-IBGZPJMESA-N 428.876 3.150 0 50 IGAA Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 299769305 WMDQLFFWLLDOCL-UPXASZCJSA-N 447.627 3.188 0 50 IGAA O=C([C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)N1CCO[C@H](c2cccc(O)c2)C1 484920703 SDGLRRCSGNEEPD-JTAQYXEDSA-N 442.512 3.022 0 50 IGAA CC(C)C(=O)C(F)(F)C(=O)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952891613 AXQVHQOADKDROP-INIZCTEOSA-N 432.349 3.024 0 50 IGAA CC(C)(C)OC(=O)Cn1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1=O 1353428149 JSDVSMDTKWJMMP-UHFFFAOYSA-N 440.418 3.061 0 50 IGAA O=C(CC1CCN(Cc2ccccc2)CC1)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529180666 HNYQVHHZNRPQQF-AHKZPQOWSA-N 436.596 3.103 0 50 IGAA COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)N=c2cc(C)n(Cc3ccccc3)[nH]2)C1 1875337113 UBHUTHYVAUKFIX-FGZHOGPDSA-N 432.524 3.472 0 50 IGAA C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1875341165 IUAVXXNBLFOPFC-AWEZNQCLSA-N 438.919 3.442 0 50 IGAA Cc1cc(C(=O)NC2([C@H]3CCCN(C(=O)c4cc5cc(O)ccc5[nH]4)C3)CC2)cc(O)n1 1875358690 GBZBEPGBGWQNIH-KRWDZBQOSA-N 434.496 3.097 0 50 IGAA C[S@](=O)Cc1cc(NC(=O)Nc2cccc(Cn3cccnc3=O)c2)ccc1Cl 2325731307 CMVDTWYXABHARX-LJAQVGFWSA-N 430.917 3.468 0 50 IGAA COc1ccc(C)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O 877055 IRTLTNJXEWZDSR-UHFFFAOYSA-N 430.570 3.251 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2)cc1C 1157336 DCIVJMQRDLIDOW-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)CN2CCCC2=O)CC1 11878924 VJGFCEVYRSXFHJ-UHFFFAOYSA-N 440.462 3.042 0 50 IGAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2COc4ccccc4O2)C3)n1 11977443 YKWCDPDUKISWGB-DYESRHJHSA-N 435.455 3.159 0 50 IGAA CCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2cn3cc(C)sc3n2)c(=O)[nH]1 12151256 CJZRRFRIGSBZBL-UHFFFAOYSA-N 435.553 3.345 0 50 IGAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(Cc1cccn1-c1ccccn1)CC2 14535823 UXNRBFIMOXKLOA-UHFFFAOYSA-N 446.477 3.281 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCCn2cncn2)CC1 14950096 IFQDEYUHIXFCKZ-DEOSSOPVSA-N 439.604 3.287 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@H](CO)C4)c(C)c23)c1 14989764 XQCVFTWOTKBOJU-INIZCTEOSA-N 426.542 3.465 0 50 IGAA CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(CN4CCOCC4)c3)CC2)cc1 19739699 YZNWGKKZWZHHGV-UHFFFAOYSA-N 437.540 3.161 0 50 IGAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nc(-c3ccccn3)cs2)n1 61718960 BHLHGUCTJPLOFK-UHFFFAOYSA-N 437.456 3.215 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 100552511 LLLFTDZJUCBQCR-QDGJQWLKSA-N 433.460 3.270 0 50 IGAA O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772933 NYLAVJDRGKPHMB-CYBMUJFWSA-N 436.472 3.136 0 50 IGAA CCOc1cc(CN2CCC(NC(=O)c3cncc(Br)c3)CC2)ccc1O 170605917 AZCWJQPMXYBKCG-UHFFFAOYSA-N 434.334 3.343 0 50 IGAA O=C(OCc1nnc(-c2ccco2)o1)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 760863096 JCXQXYSJPOZZFI-UHFFFAOYSA-N 430.376 3.091 0 50 IGAA C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc([C@@]5(C)NC(=O)NC5=O)c4)cc3c2C1 1321334825 PBMNTBKHAHIGBO-DLUDVSRJSA-N 430.508 3.277 0 50 IGAA O=C(c1ncccc1O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857702033 XDNKFHWQAYLASI-FQEVSTJZSA-N 437.540 3.416 0 50 IGAA CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1Cl 2325819643 LWGTYVZTXBRXIV-HOCLYGCPSA-N 449.960 3.186 0 50 IGAA Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C 640121 LEZZZYXWWOQIFT-UHFFFAOYSA-N 428.333 3.109 0 50 IGAA CCc1ccc(CN(C(=O)c2nc(SC)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 8612041 ZKWRRLPWHQXBOW-HNNXBMFYSA-N 439.990 3.244 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)N[C@H]2CCc3ccccc32)(c2ccccc2C)C1=O 12098435 JMPJLPZNUMUWRC-NVQXNPDNSA-N 434.536 3.222 0 50 IGAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)[C@@H](C)c4ccco4)[nH]c3=O)nc2s1 12242349 BZBWCBBDVCGSEG-AWEZNQCLSA-N 425.514 3.109 0 50 IGAA O=C(C1CCN(CCCc2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13942351 KZAALOHMUSGXCR-UHFFFAOYSA-N 449.595 3.404 0 50 IGAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCOCC4)c3n2)cc1 19212154 RLSZJIJKKNVVLR-UHFFFAOYSA-N 429.471 3.094 0 50 IGAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c(C)c1 20449018 LIBAEBBXUXFPQE-UHFFFAOYSA-N 439.510 3.204 0 50 IGAA c1ccc2[nH]c(CN3CCC[C@@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)nc2c1 20993291 NOFBLLUBGAIBSF-HXUWFJFHSA-N 433.556 3.074 0 50 IGAA Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1 95579919 DZFZXPPHBWCXPQ-UHFFFAOYSA-N 445.483 3.473 0 50 IGAA investigational CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C2=C1C(=O)OC2 169758196 JCTHXZQBFRNPOI-JOCHJYFZSA-N 435.480 3.218 0 50 IGAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccccc2Cl)cc1Br 226608695 VSQOTXBYWTYMIQ-KBXIAJHMSA-N 436.693 3.014 0 50 IGAA COc1cccc2c1OC[C@H](NC(=O)C1(c3ccc(S(C)(=O)=O)cc3)CCCCC1)C2 824801241 DPXZEMFWNIHJAP-LJQANCHMSA-N 443.565 3.421 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)CN1Cc1cccnc1 952988195 BYZOXNKOBLVMKG-JOCHJYFZSA-N 443.551 3.150 0 50 IGAA CC[C@H](NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C 2325722314 KKJMYWRMFBTNQA-GGAORHGYSA-N 437.584 3.286 0 50 IGAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3n2)cc1 815399 OTTXTXCDQWKBEW-HNNXBMFYSA-N 427.455 3.263 0 50 IGAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1128512 OJGCTACPZDPHHN-UHFFFAOYSA-N 428.857 3.005 0 50 IGAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2857972 FXHGIOCNLQMNOB-UHFFFAOYSA-N 445.541 3.089 0 50 IGAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 6144487 VTHBFZXBAQADEY-UHFFFAOYSA-N 425.348 3.277 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c(C)c1 11697267 LFEFLPHSELSOHY-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA COc1ccccc1-n1cc(CNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)cn1 12093408 HLJYVFYRYRLBPB-JOCHJYFZSA-N 446.551 3.369 0 50 IGAA CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(OC(F)(F)F)cc2)CC3)CC1 12281662 TVPNVWZJYUIXGB-IBGZPJMESA-N 425.495 3.351 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O 14889430 YVLMNUKAPYQXDU-JOCHJYFZSA-N 448.972 3.483 0 50 IGAA O=c1c(CN[C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1Cc1ccccc1Cl 14984148 MEDKPOIMSBJQQB-GOSISDBHSA-N 434.920 3.119 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 15071421 IILFUSSUCXRVFV-IBGZPJMESA-N 426.586 3.289 0 50 IGAA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)N1CCOCC1 100156206 NJESEIRNEWVGCI-FOVJLYNBSA-N 439.895 3.481 0 50 IGAA Cn1cnnc1[C@H](CO)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 1453807774 UUCTZNDDPWFGJD-IBGZPJMESA-N 425.439 3.024 0 50 IGAA O=C(N=c1ccn(-c2ccccc2Cl)[nH]1)N1CCN(C(=O)c2ccccc2F)CC1 1857531557 RFQZREXIPCDVMB-UHFFFAOYSA-N 427.867 3.077 0 50 IGAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[C@@H](c4nc(C)no4)C3)cc2)cc1 1857799282 UWKJDDSGNQTJAY-QGZVFWFLSA-N 426.498 3.117 0 50 IGAA Cc1c(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)c3cnc(Cl)s3)C2)sc2nccn12 2325876129 LHGJRJUXCZLWEL-QJPTWQEYSA-N 435.962 3.095 0 50 IGAA O=C(CS[C@H]1CC(=O)N(CCc2ccccc2)C1=O)Nc1ccc(Br)cc1 1209409 UUUMUVJUZBKBLM-KRWDZBQOSA-N 447.354 3.491 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCCSCc1ccccc1C)S(C)(=O)=O 2818425 QWFKYCFDYDJYDJ-UHFFFAOYSA-N 436.599 3.128 0 50 IGAA CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 2877469 BWVPTDWWZMBYFW-UHFFFAOYSA-N 442.516 3.393 0 50 IGAA CC(=O)c1ccc(Nc2nc(NCCO)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 2947210 JBYDIXMNHVRPRH-UHFFFAOYSA-N 439.316 3.094 0 50 IGAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)Cn1nc(C)cc1C)C2 12186145 WNZHCQQQBAQTJO-IBGZPJMESA-N 433.508 3.382 0 50 IGAA CCN1CCN(c2nc3cc4c(cc3cc2CN[C@@H]2CCOC(C)(C)C2)OCO4)CC1 12210484 SKNUUFOYEWOCMO-LJQANCHMSA-N 426.561 3.153 0 50 IGAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 12303091 GKWUVVYKPBBMCZ-FQEVSTJZSA-N 436.556 3.071 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCC1 16652347 YGUGXVRRNXQRAQ-UHFFFAOYSA-N 433.555 3.404 0 50 IGAA COc1ccc(Cn2c(=O)c(CNCCc3n[nH]c(C)n3)cc3cc4c(cc32)CCC4)cc1 23430016 MWXWCASARJGYIF-UHFFFAOYSA-N 443.551 3.306 0 50 IGAA COC(=O)c1ccc(-c2nc(CN3CCN(C(=O)c4ccc(OC)cc4)CC3)c(C)o2)cc1 55120306 CDRGWOFTIRJDON-UHFFFAOYSA-N 449.507 3.403 0 50 IGAA Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 170601697 HPSRNKHZBJEUCU-UHFFFAOYSA-N 436.335 3.205 0 50 IGAA C[C@H]1Oc2ccccc2N(CC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1=O 170623572 ZMENBSJMJCHXAW-QRQCRPRQSA-N 428.916 3.426 0 50 IGAA C[C@@]1(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2)NC(=O)NC1=O 225532946 HGBSNDXHECLAIN-VWLOTQADSA-N 445.450 3.041 0 50 IGAA CCN(CC)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263616417 INNVRZKLKRSYRK-FQEVSTJZSA-N 428.508 3.014 0 50 IGAA O=C1C[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)[C@@H]4CC(=O)c5ccccc54)[C@@H]3C2)c2ccccc21 476267080 RVSNHONNBGIYEA-SVCSISOJSA-N 442.515 3.176 0 50 IGAA O=C(CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1)NC1CCCCC1 487230263 MIJAHUKFZIAFMX-RUZDIDTESA-N 435.568 3.400 0 50 IGAA Cc1cc(Br)cc2c1CN(C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)CC2 777725914 KPSUOEBKDRCBAY-HXUWFJFHSA-N 438.387 3.427 0 50 IGAA C[C@@]1(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)Cc2cncc(O)c2)CCc2ccccc2C1 1875361699 ZBPZAJVYKVSCHB-LZTCXMBHSA-N 433.552 3.021 0 50 IGAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1cccnc1 6244953 KEEQISCBBPIAAF-UHFFFAOYSA-N 431.901 3.231 0 50 IGAA CCN(CC)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O 8610891 DIHMEJZSWIRKLX-UHFFFAOYSA-N 445.567 3.248 0 50 IGAA Cc1ccc(-n2c3c(cc(C(=O)NCCCn4ccnc4)c2=O)C(=O)CC(C)(C)C3)cc1 9601226 RLZUKASGXNOQHI-UHFFFAOYSA-N 432.524 3.318 0 50 IGAA CC(=O)c1sc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)nc1C 11905592 NJXVDVPCUZKMQP-UHFFFAOYSA-N 428.539 3.367 0 50 IGAA CN(C)C(=O)CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 12314940 WETDJLUMWNJWTA-UHFFFAOYSA-N 446.939 3.212 0 50 IGAA COc1ccc(CN(C)C(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)cc1OC 12450090 SUMKWMZWLHAGQS-UHFFFAOYSA-N 443.544 3.104 0 50 IGAA NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 12754044 KTDSTSAGQOOCJM-JOCHJYFZSA-N 435.568 3.110 0 50 IGAA Cc1noc(C)c1CCC(=O)N1CC(=O)N(C(C)C)C[C@H](OCc2ccc(F)cc2)C1 14532877 ITAWGBDGSHJQLN-HXUWFJFHSA-N 431.508 3.028 0 50 IGAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccccc1)CC2 14740750 PPRFPTIXEFQXCO-UHFFFAOYSA-N 433.552 3.099 0 50 IGAA CC(C)S(=O)(=O)c1ncc(CN(C)C[C@H]2CCCCN2C)n1Cc1ccccc1F 19799793 ZVQUFCRWKLWPND-LJQANCHMSA-N 436.597 3.169 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 55089540 BWICVVYDJKFJDL-FQEVSTJZSA-N 426.561 3.046 0 50 IGAA O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccs1 101301077 AZVWOTWGCYDHKK-OYUDYFSCSA-N 440.908 3.449 0 50 IGAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nn2)n1 169778182 VXZDQLGWDQOGSG-CYBMUJFWSA-N 436.394 3.437 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)C1 170605699 KFPIZXGAXGSXDU-IEGUWTFLSA-N 445.585 3.093 0 50 IGAA Cc1c(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCCC3 253387633 JHIQHSBOQBRWOJ-WKILWMFISA-N 427.497 3.366 0 50 IGAA biogenic Cc1ccc(Cl)cc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 263615981 GIRWJCZNZZBRBA-UHFFFAOYSA-N 440.862 3.395 0 50 IGAA Cc1ccc(C)c(OC[C@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1C 485864272 PKAIQHSTTDGULV-OAHLLOKOSA-N 430.496 3.044 0 50 IGAA COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(C)c1=O 824134592 PHGHQGYXEJLPKM-INIZCTEOSA-N 425.437 3.141 0 50 IGAA biogenic Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 1506419055 WHVINWJYWDZXMH-AWEZNQCLSA-N 435.502 3.243 0 50 IGAA COc1ccc([C@@H](CC(=O)NCCNc2ncccn2)c2ccc3cccnc3c2O)cc1 1776111707 MCUIFYJBXZCSQO-OAQYLSRUSA-N 443.507 3.489 0 50 IGAA COc1cnc2nc(NC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)sc2c1 1875354686 LLIUXNSOXLCFTB-VBKZILBWSA-N 444.513 3.368 0 50 IGAA CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(=O)n(C)c2ccc(Br)cc12 2325826553 FOPRRZKUWGFOCT-OAHLLOKOSA-N 437.334 3.493 0 50 IGAA CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 790685 IOJCZLFTUWEBBW-UHFFFAOYSA-N 440.525 3.474 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 1196018 PUJJLAXSEQPJAU-PZHBDVNGSA-N 448.544 3.115 0 50 IGAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCCC4=O)c3n2)cc1 2770143 MTVPSHQZIGKWJR-UHFFFAOYSA-N 443.454 3.085 0 50 IGAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(c2cccc(Cl)c2)CC1 10327478 WEKDHUFBRRUABT-UHFFFAOYSA-N 428.945 3.251 0 50 IGAA CCCCn1c(CN(C[C@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)CCCC(C)C 12316532 JEHRFHSVYBJSIH-LJQANCHMSA-N 440.654 3.382 0 50 IGAA CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(Cl)cc2)NC(=O)c2ccccc2)CC1 13124974 PMFXJNDHYQMQMN-SILNSSARSA-N 441.915 3.412 0 50 IGAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 13828184 FBVFZWUMDDXLLG-HDICACEKSA-N 426.586 3.374 0 50 IGAA biogenic,world O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(F)c1)N1CCOCC1 52596108 YFRLRZZZCLYVPJ-NQIIRXRSSA-N 440.544 3.296 0 50 IGAA COc1cccc(Nc2nc(N)nc(CN3CCN(c4cccc(Cl)c4)CC3)n2)c1 54147040 CZHZKKPZCJOXPS-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)c2cc(Br)ccc2F)c1 170593806 LVOPUSTYKVPKKZ-MRXNPFEDSA-N 435.293 3.427 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 239165168 NPGAHEBVAVBTOL-NMAAHNCWSA-N 448.302 3.163 0 50 IGAA CC1(C)OB(c2ccc([C@]3(N4C(=O)c5ccccc5C4=O)C[C@](C)(O)C3)cc2)OC1(C)C 382646681 ZFXOGKGVGVKIQC-SOAUALDESA-N 433.313 3.022 0 50 IGAA COc1cc(CN2CC[C@H](NC(=O)c3cc(C)nc4c3cnn4C(C)C)C2)cc(OC)c1 446389964 CYOHODZSEGRXDW-SFHVURJKSA-N 437.544 3.342 0 50 IGAA Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(CCN(C)C)c3-c3ccccc3)C2=O)cc1 764571531 DHIYVBBKMRQMBY-QHCPKHFHSA-N 445.567 3.346 0 50 IGAA C[C@H](NC(=O)COC(=O)/C=C/c1ccc(I)o1)[C@@H]1C[C@H]2CC[C@H]1C2 788931481 DPMJJXCODOLJED-NNRBJKAJSA-N 443.281 3.382 0 50 IGAA NCc1nc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)co1 1857706283 ONEDQMVMQUJPSS-FQEVSTJZSA-N 426.561 3.235 0 50 IGAA COc1ccc(COC[C@@H](O)CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 2325711044 OBOZEZKNUMJVPA-NRFANRHFSA-N 431.492 3.342 0 50 IGAA O=C(Cc1ccc(C(=O)O)cc1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 2325870723 MCGQKFHHBMZRLI-SFHVURJKSA-N 434.414 3.426 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 631549 ZRNBMWLDVDVVBG-BXBHGGAKSA-N 444.965 3.432 0 50 IGAA O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccco1 2875703 RBXDKMUZGBQEPZ-UHFFFAOYSA-N 446.912 3.380 0 50 IGAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(C(=O)c2ccc(C)cc2C)CC3)CC1 12125006 UHKFQVZUIXMCMN-OAQYLSRUSA-N 441.572 3.283 0 50 IGAA Cc1ncccc1C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccn(C)n2)CC1 12217368 CJPAGAWPBZQWGA-DEOSSOPVSA-N 445.567 3.359 0 50 IGAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1cccc(OC)c1)CC2 14534570 ZFCVVIHEEYAHOZ-UHFFFAOYSA-N 434.540 3.257 0 50 IGAA Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C 103298500 POERAARDVFVDLO-QGZVFWFLSA-N 432.572 3.417 0 50 IGAA investigational O=S1(=O)C[C@H]2CN[C@H]1[C@H]1[C@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 104309660 FEFYYVWOHFNCLG-BAWLOBLBSA-N 429.541 3.424 0 50 IGAA NC(=O)CSc1ccccc1NC(=O)CN1CCN(C2CC2)c2ccc(Cl)cc21 170599861 SIEPHOCUYRCUDA-UHFFFAOYSA-N 430.961 3.345 0 50 IGAA C[C@H]1CN(Cc2ccc(F)cc2)CCN1[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 225610098 JWAPOVIXOLWCAB-PMACEKPBSA-N 440.563 3.196 0 50 IGAA COc1ccc(OC)c(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)c2)c1 239309903 HXOZSKZMRXEFMR-SJAIHNDCSA-N 436.464 3.092 0 50 IGAA O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 239402555 QUFHQSMIKAABJB-IYVPYFHTSA-N 426.494 3.221 0 50 IGAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c3CO2)cc1 263616904 LDCVHMBFAGWANK-HSZRJFAPSA-N 447.539 3.137 0 50 IGAA CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N=C1O 328594787 BPUJWOWQMKPIKK-HTAPYJJXSA-N 446.525 3.230 0 50 IGAA CCN1CCN(CCOc2ccc(CN3CCO[C@@H](c4ccc(F)cc4)C3)cc2)CC1 823116390 VROXGYPTYHCLQC-RUZDIDTESA-N 427.564 3.416 0 50 IGAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3nn(CC)cc3Cl)cc2)s1 2765843 DUYWLYDWYZXABO-UHFFFAOYSA-N 440.938 3.023 0 50 IGAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)n1 11697298 PXNFSTSEZYGRCK-UHFFFAOYSA-N 444.948 3.088 0 50 IGAA CC(=O)Nc1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc1 12126700 NLOYOBIORMPCSH-FQEVSTJZSA-N 429.590 3.424 0 50 IGAA CC(=O)c1ccc(N2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cc1 12304186 CNXQFAHETLWREJ-UHFFFAOYSA-N 435.513 3.216 0 50 IGAA O=C(CCc1nc2ccccc2[nH]1)N1CC(=O)N(Cc2ccccc2)C[C@H](OCC2CC2)C1 14532192 FBYZKWMBYIYQQB-NRFANRHFSA-N 446.551 3.162 0 50 IGAA O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(Cc1ccccn1)CC2 14539916 RNUBVNHOUNJJLO-UHFFFAOYSA-N 444.564 3.271 0 50 IGAA COc1cccc(CN2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccccc3)C2)c1 14746478 UTCDAKNWWQUEMG-RUZDIDTESA-N 438.568 3.351 0 50 IGAA CC[C@@H](C)CC(=O)N1CCC([C@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 14879179 PTSNDHCTHTXKMK-QRQCRPRQSA-N 434.606 3.369 0 50 IGAA CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1 14882926 ZZFWNPCYIVZFTE-QFIPXVFZSA-N 440.544 3.269 0 50 IGAA COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 17098845 YDSYHZIGQNPHIS-GHMZBOCLSA-N 434.495 3.454 0 50 IGAA CCCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccccc3o2)n1C[C@@H]1CCCO1 20351965 RQQCLYMVQXRIFG-KRWDZBQOSA-N 432.546 3.019 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCCc1ccccc1 55153740 GWXSEMBFIVWTDN-HXUWFJFHSA-N 433.474 3.145 0 50 IGAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67614155 VSHGNMPGAJESIK-UHFFFAOYSA-N 449.902 3.242 0 50 IGAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCCC3CCCC3)c2)CC1 77405957 WCYYHVJPVVLJCY-HSZRJFAPSA-N 432.605 3.371 0 50 IGAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)CC1 245247245 SNVMXCWJUBUMHQ-QAQDUYKDSA-N 434.496 3.398 0 50 IGAA O=C1N[C@H](CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587980 NSTGDDGPHCMWBV-UXHICEINSA-N 431.496 3.147 0 50 IGAA Cc1ccc(NC(=O)C2(CNC(=O)c3cn(C)nc3-c3cnn(C)c3)CCCC2)cc1C 444186090 QUFOVWRNWKFRNE-UHFFFAOYSA-N 434.544 3.366 0 50 IGAA CN1CC[C@@H](Sc2ccccc2NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1=O 1875259342 SYSTVIWPGAOHQH-TZIWHRDSSA-N 443.544 3.161 0 50 IGAA Cc1cccc(CNC(=O)c2ccc(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)cc2)c1 1875270673 KLHFUWBPYMXTKH-UHFFFAOYSA-N 448.504 3.289 0 50 IGAA O=C(NCc1cnc(O)nc1O)c1ccccc1C(=O)c1ccc(O)c(-c2ccccc2)c1 2325851757 IGFRYONWGCNHCL-UHFFFAOYSA-N 441.443 3.421 0 50 IGAA Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)n3nc(C)cc3C)c2C)cc1 644909 RWUMQCFIEYTEHZ-UHFFFAOYSA-N 447.582 3.487 0 50 IGAA NC(=O)C1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)CC1 1165740 BEBTXVMSFUTTNW-UHFFFAOYSA-N 440.569 3.287 0 50 IGAA CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1 2852578 IJYPFWBUXQRELM-UHFFFAOYSA-N 436.961 3.238 0 50 IGAA CC[C@@H](O)CNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1S[C@@H](c1ccccn1)C2 11909719 BJCSAWSZXUIOHD-OPAMFIHVSA-N 435.549 3.431 0 50 IGAA COc1cc(CNCCc2cccnc2)ccc1OC[C@H](O)CN1CCCCCCC1 11937116 MXNXRLUQZBZGHH-HSZRJFAPSA-N 427.589 3.428 0 50 IGAA O=C(CN1CCCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12386233 MBDMKZBWKYZFQE-SANMLTNESA-N 439.644 3.359 0 50 IGAA C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 14986894 HTYAHQDIINXDJZ-QGZVFWFLSA-N 439.510 3.425 0 50 IGAA Cc1ccn(CC(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 55308750 QSMWYOACRZGQHO-FQEVSTJZSA-N 435.494 3.024 0 50 IGAA O=C(OCC(=O)c1cccs1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239302507 FJKXRGSDWAUEKN-NQDKFLQJSA-N 433.485 3.345 0 50 IGAA CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)c1nc2ccccc2[nH]1 252538420 NATJFQFPHWOFRI-SPLOXXLWSA-N 449.511 3.194 0 50 IGAA C[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)C(=O)Nc1ccc2c(c1)OCCO2 468499744 ATABOWSHGYUCFC-KZULUSFZSA-N 447.417 3.301 0 50 IGAA Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(-n2cc(Cl)cn2)n1 470314317 RMMXXQCACGKQDR-UHFFFAOYSA-N 432.933 3.341 0 50 IGAA Cc1nc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)nn1-c1n[nH]c(C(F)(F)F)n1 474710171 JYCSBIBPDNGYKG-UHFFFAOYSA-N 445.409 3.041 0 50 IGAA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Nc2ncccn2)cc1 1857533220 IEFJGOASHQCPJK-UHFFFAOYSA-N 433.468 3.092 0 50 IGAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCC[C@@H](OC(F)F)C1 1875258463 KVGVYWBJSZSJDV-ZIAGYGMSSA-N 437.365 3.104 0 50 IGAA Cc1nc([C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1 1875260079 PJAWRJAZFIKEFX-CXAGYDPISA-N 435.406 3.250 0 50 IGAA CC1(C)C[C@H]1C(=O)N1CCN(CCNc2ncnc3c(-c4ccccc4)nsc23)CC1 1875326615 QHIJQJSPQVMPOI-KRWDZBQOSA-N 436.585 3.356 0 50 IGAA O=C(NCC1(c2ccncc2)CC1)c1ccc(C(=O)NCC2(c3ccncc3)CC2)s1 2325726861 DOJONQOTLQAPGC-UHFFFAOYSA-N 432.549 3.461 0 50 IGAA O=C(NC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2[nH]c(O)nc12 2325878419 OMBBPLOMMPWXJN-NSHDSACASA-N 434.296 3.165 0 50 IGAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 652771 QIAADLDIVNJOHH-UHFFFAOYSA-N 442.463 3.203 0 50 IGAA COC(=O)C1=CN(c2ccc(C(=O)OC)cc2)C=C(C(=O)OC)C1c1ccccc1OC 1132094 RRVOVUAIDZKFLN-UHFFFAOYSA-N 437.448 3.199 0 50 IGAA CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccc(OC)cc2s1 8396938 IPHUSRZSUJIEBD-QGZVFWFLSA-N 441.509 3.385 0 50 IGAA CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 9119055 AJNGJMCEIZEBNM-UHFFFAOYSA-N 443.544 3.054 0 50 IGAA CC[C@@]1(C2CCN(CCC(C)C)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O 11786925 MWLFNKPQQACEER-CYFREDJKSA-N 429.561 3.285 0 50 IGAA CC(C)Cn1cc(C(=O)NC2Cc3ccccc3C2)c(=O)c(C(=O)N2CCCCCC2)c1 11909025 AGEUTPVMOVCDEP-UHFFFAOYSA-N 435.568 3.418 0 50 IGAA CCCCn1c(CN2CCN(C/C=C/c3ccccc3)CC2)cnc1S(=O)(=O)CC 20539259 AHKKHZWCOPTLAE-FMIVXFBMSA-N 430.618 3.308 0 50 IGAA COC(=O)C[C@@H](NCc1cc2cc(C)ccc2nc1OCc1cccc(F)c1)C(=O)OC 20999411 MMJCWVGSOIRNBR-OAQYLSRUSA-N 440.471 3.456 0 50 IGAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cccc(C(F)(F)F)c1 169755605 WUQPIKCAVJBGIV-UHFFFAOYSA-N 442.397 3.313 0 50 IGAA COc1cc(OC)c(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCC4)cc1Cl 169778270 RDTIVLLDHGZVLZ-UHFFFAOYSA-N 430.892 3.152 0 50 IGAA COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)c2)cc1 195388494 MXPJBCSKVPHJGA-KNPYFFGGSA-N 442.471 3.283 0 50 IGAA Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 252517358 GNGOGENXRXJQPQ-CIEVZJJWSA-N 448.629 3.233 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@H](C)[C@@H]4[C@]34C=C[C@H]2O4)cc1 257372946 IBWVDLQGQPPIOV-ZTGRRCFUSA-N 432.476 3.027 0 50 IGAA biogenic COc1ccc(-c2nn3ccn(Cc4cccc(Br)c4)c(=O)c3c2CO)cc1 263618113 RHMDAFJWNGFXLI-UHFFFAOYSA-N 440.297 3.475 0 50 IGAA O=C(NC[C@@H]1CCCCO1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 328592428 GICYUJFWKRCZQU-INIZCTEOSA-N 440.924 3.257 0 50 IGAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952894429 QXMXSUYBYRNZST-LJQANCHMSA-N 428.374 3.354 0 50 IGAA COc1ccc(CC(=O)N(c2cccc(O)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1875264883 QTYJAVNETZWXRP-UHFFFAOYSA-N 427.478 3.374 0 50 IGAA COc1ccccc1[C@H](CNC(=O)[C@@](C)(O)C1CCC1)NC(=O)[C@@H](F)c1ccc(F)cc1 1875344445 LAOGAQJLOXBGPV-PTLVVNQVSA-N 446.494 3.370 0 50 IGAA CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(C)s1 2841504 DSVNGXALXPYLBS-UHFFFAOYSA-N 430.559 3.032 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccs1 6172367 SAJAOJGNWLUDKU-IUYQLWOBSA-N 430.938 3.123 0 50 IGAA Cc1c(C(=O)N(C)[C@@H]2CCOC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 11979240 FAXJBTVCFBJHAS-CQSZACIVSA-N 426.498 3.201 0 50 IGAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCC[C@H]2CCN(C)C)c1=O 14992338 YOJRGVCJUBAMKA-FQEVSTJZSA-N 446.636 3.227 0 50 IGAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 19731331 DVPIEXPWFXWCBD-UHFFFAOYSA-N 437.540 3.228 0 50 IGAA C[S@@](=O)c1ccc(C(=O)O[C@H]2CCCC[C@H]2OC(=O)c2ccc([S@](C)=O)cc2)cc1 252502980 UWHJCVZOGAXNFA-MNVPHMDFSA-N 448.562 3.486 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1 263617537 OGWPMHZFEHDFIU-QFIPXVFZSA-N 435.503 3.268 0 50 IGAA Cc1cc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)c(-n2cccc2)s1 1448225504 GEPQDVVGCWRQFG-UHFFFAOYSA-N 441.937 3.348 0 50 IGAA CNC(=O)CN(Cc1cc(-c2cccs2)n(C)n1)C[C@H](c1ccc(C)o1)N1CCCC1 1875303586 DWDIVHBRCSKBDX-HXUWFJFHSA-N 441.601 3.435 0 50 IGAA C[S@](=O)(=NC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 2332238888 PBWKVWZSYYSQMA-JFYDIMOCSA-N 444.597 3.078 0 50 IGAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 856985 ZYFUQAFQKIWUKY-UHFFFAOYSA-N 429.929 3.242 0 50 IGAA Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 1130017 WFFKBFWGAIONAW-MRXNPFEDSA-N 426.498 3.300 0 50 IGAA COc1ccc(OC)c([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)O)c1 9260469 LSSWKNBHPHCVBE-GOSISDBHSA-N 442.468 3.264 0 50 IGAA CO[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 11816025 ZURLONQLJNWPIB-UUOWRZLLSA-N 430.520 3.183 0 50 IGAA C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cccc3c2C(=O)N(C2CCCC2)C3=O)CC1 12150078 XRFVYPQBXIZBPC-SFHVURJKSA-N 447.535 3.341 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)cc2)cc1 101877889 DKCRLGKADKVTAO-ZECSIRQKSA-N 445.471 3.437 0 50 IGAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 138559056 KFBWCIFAXUWRNB-IPMKNSEASA-N 426.314 3.293 0 50 IGAA COc1cccc(CCC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 169777244 QKMXMXFUARXTLF-UHFFFAOYSA-N 438.503 3.106 0 50 IGAA O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 245285139 WADVTMGOWRZZCC-SHTZXODSSA-N 430.505 3.425 0 50 IGAA CN(Cc1ccccc1OCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)CC1CCCC1 1875327166 SPBBQKKKSUOBQC-UHFFFAOYSA-N 449.511 3.478 0 50 IGAA COc1cccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 1072195 YTSRLBUAOXFMKH-GFCCVEGCSA-N 436.249 3.291 0 50 IGAA COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)cc1 1078142 GAEWPTGJNQYCLI-UHFFFAOYSA-N 433.555 3.499 0 50 IGAA O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1078654 BUHNQBHMLNBOPJ-MRXNPFEDSA-N 437.359 3.166 0 50 IGAA Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1 8439747 CDKYDQLSGOAOLH-UHFFFAOYSA-N 430.860 3.200 0 50 IGAA COCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 8721843 WNOXKSGXLCSZSF-UHFFFAOYSA-N 445.368 3.337 0 50 IGAA Cc1cccc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)n1 11821733 ALZIFGFMUAPVIT-UHFFFAOYSA-N 430.980 3.378 0 50 IGAA CC(=O)Nc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc1 12126706 NLOYOBIORMPCSH-HXUWFJFHSA-N 429.590 3.424 0 50 IGAA Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)nc(C)n1 14532424 STISIZSSJJEQTJ-QFIPXVFZSA-N 436.556 3.296 0 50 IGAA COc1ccccc1Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)N(C)C)c1 15001156 RDEGXUIIXUZBFP-UHFFFAOYSA-N 437.540 3.227 0 50 IGAA O=C(CCc1cccnc1)NCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 19742327 SAERJFLRPJCWHT-UHFFFAOYSA-N 446.580 3.195 0 50 IGAA O=C(CCn1cccn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55310770 MEYSZYZATLRMHL-FQEVSTJZSA-N 435.494 3.105 0 50 IGAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 253413188 UBUPZNXIQKMDAM-HXUWFJFHSA-N 444.959 3.421 0 50 IGAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC1)C2 463533672 FLFPIVIZEHWAMG-WAIKUNEKSA-N 448.519 3.448 0 50 IGAA C[C@@H](Cc1ccccc1Br)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 477211525 TYKQOOCAHIPJAI-AWEZNQCLSA-N 437.359 3.379 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c[nH]nc2C2CCCCC2)cc1OC 1529179960 AEYOHJOQJBRGPB-IFMALSPDSA-N 429.517 3.049 0 50 IGAA COc1cc2c(cc1OC)C1(CCN(Cc3ccc(OCC(=O)O)cc3)CC1)OCC2 1704302383 IRDAZKOLCBPAQR-UHFFFAOYSA-N 427.497 3.231 0 50 IGAA Cc1nsnc1C(=O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857702503 LYRHQKMIUBZWOJ-IBGZPJMESA-N 442.585 3.475 0 50 IGAA Cc1csc(C[C@@H](C)n2cc(C3(F)CN(C(=O)[C@@H]4CC5(CCCC5)CO4)C3)nn2)n1 1875338303 SNDNLIKZLPFXOY-CVEARBPZSA-N 433.553 3.203 0 50 IGAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2ccc(C3CCC3)cc2)cc1C 1875388267 TWNLQWRJEZDYPM-JTHBVZDNSA-N 442.581 3.011 0 50 IGAA CCc1nsc(N2CCC([S@@](C)(=O)=NC(=O)Cc3cc(F)ccc3OC)CC2)n1 2332238866 OOIBALLFEGZWPD-GDLZYMKVSA-N 440.566 3.084 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1C 647135 JDZXOFUYCFMXGR-MRXNPFEDSA-N 425.279 3.347 0 50 IGAA CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)sc2c1CCCC2 1128290 GHKWBJLWIQFFPU-UHFFFAOYSA-N 436.555 3.452 0 50 IGAA CN(Cc1c(Br)cnn1C)C(=O)c1ccnn1COc1ccccc1Cl 2800278 SLFXWHGTPWMTFS-UHFFFAOYSA-N 438.713 3.341 0 50 IGAA CS(=O)(=O)Oc1ccc(Br)cc1/C=C1/N=C(c2cccs2)OC1=O 2824114 ZBYITHJWFMGJMN-DHZHZOJOSA-N 428.285 3.194 0 50 IGAA COc1ccccc1NC(=O)c1sc2ncn(CC(=O)NC3CCCC3)c(=O)c2c1C 9004930 NBOUWTDYCQBSCW-UHFFFAOYSA-N 440.525 3.086 0 50 IGAA Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c1 12449364 ZEZIPJCTVOQUNP-KRWDZBQOSA-N 434.544 3.351 0 50 IGAA CC(=O)N1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1 12760134 OKVINDQSWCANTM-UHFFFAOYSA-N 449.595 3.467 0 50 IGAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2ccc(O)cc2)C3)cc1 14534244 RVTVMGFGRZHJCE-UHFFFAOYSA-N 434.540 3.100 0 50 IGAA O=C(/C=C/c1ccccn1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19800342 XAZCSHYPKDFAGI-SWDTZWKESA-N 446.595 3.458 0 50 IGAA CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19809738 FOVYWCLWYCRZRK-FQEVSTJZSA-N 426.557 3.270 0 50 IGAA O=C(Cn1ccc2c(Br)cccc21)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 110980647 SDFBNYCBIHCRDD-GJZGRUSLSA-N 426.314 3.211 0 50 IGAA COC(=O)CCCC[C@@H]1SC[C@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1 239203133 RUKOTNUTYIZDQC-JAXLGGSGSA-N 440.565 3.432 0 50 IGAA CC1CCN(c2nc(O)c3c(n2)NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)C3)CC1 253537494 GRRUWUFYGIFGHT-CYBMUJFWSA-N 429.908 3.212 0 50 IGAA Cc1nc2sccn2c(=O)c1CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1 1875255455 YHRKSXWMRDZKNW-UHFFFAOYSA-N 435.553 3.067 0 50 IGAA CCCC[C@@H](C(=O)N[C@H](CO)c1ccc(-c2ccccc2)cc1)N1CCCS1(=O)=O 1875344013 BLZIXGVBAFGAGN-YADHBBJMSA-N 430.570 3.098 0 50 IGAA COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@H]3C2=O)cc1 668117 DQKFZBXGCNIGIL-LMGFAJPXSA-N 425.440 3.331 0 50 IGAA Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2O 4214700 PMXMIIMHBWHSKN-IBGZPJMESA-N 426.492 3.081 0 50 IGAA biogenic,fda O=C(c1nc(N2CCCC2)nc2c1CCCC2)N(Cc1cccnc1)[C@@H]1CN2CCC1CC2 12208046 GUHXVFCGTNMBHZ-HSZRJFAPSA-N 446.599 3.087 0 50 IGAA COc1cc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)ccc1O 12242566 RSDSBMBYIDASOQ-APWZRJJASA-N 438.553 3.291 0 50 IGAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C[C@H]1CC=CCC1)CC2 14748328 HSZFQQKLIQQREU-FQEVSTJZSA-N 426.561 3.073 0 50 IGAA Cc1nn(C)c(C)c1CNCc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O 15067517 MWSQZXDGWKGHDO-UHFFFAOYSA-N 425.552 3.267 0 50 IGAA COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 170624006 UPTDIRMGUBVISL-JOCHJYFZSA-N 434.496 3.201 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3c(Cl)cccc3S(C)(=O)=O)C[C@H]21 230216112 MOLUFXUUTZOSTR-CKEIUWERSA-N 428.982 3.479 0 50 IGAA O=C(COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)c1)NCCO 242302157 YPXVNBOHNSRHCY-OAQYLSRUSA-N 449.532 3.227 0 50 IGAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 952975037 BTYNJNDXCGRKIM-UHFFFAOYSA-N 431.558 3.100 0 50 IGAA C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc21 1859515279 PYMRQUDFYCZAII-NSHDSACASA-N 432.461 3.100 0 50 IGAA COc1ccc(NC(=O)c2cccc(NC(=O)c3ccn(C)n3)c2)cc1N1CCCCC1=O 2325781660 XTSSIWBHRDGGDG-UHFFFAOYSA-N 447.495 3.450 0 50 IGAA CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ccc(N(C)Cc2cnn(C)c2)nn1 2325825500 RWRNYOUOSJXMTM-HNNXBMFYSA-N 439.589 3.090 0 50 IGAA CO[C@](C)(C(=O)N1CCC[S@](=O)(=NC(=O)c2ccc(C)o2)CC1)c1ccccc1F 2332238833 NOJBWLVAPWASJP-URAOTHONSA-N 436.505 3.129 0 50 IGAA COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(c2ccc(Cl)cc2)C1 1213915 SQBIDZGSWLVWJR-SFHVURJKSA-N 437.677 3.323 0 50 IGAA CC(C)CNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)C1 11913536 QQEFHLVTKXQJAL-JKSUJKDBSA-N 440.569 3.489 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 12160710 WLNIKLNMKWGVOT-NTKDMRAZSA-N 427.545 3.117 0 50 IGAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2 12243619 ARAXDWQZQYKHLF-HSZRJFAPSA-N 443.551 3.259 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCCN2CCCC2=O)c1 12313859 BJMJUYPRTUZENF-UHFFFAOYSA-N 443.588 3.223 0 50 IGAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 14886613 HXSJKOWKWWVJBX-GRTQGXPSSA-N 445.995 3.266 0 50 IGAA COC(=O)[C@H](CCSC)NC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 15078129 DEOKEZNHRSJZGW-AWEZNQCLSA-N 435.527 3.196 0 50 IGAA COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3)CC2)n1 54147201 QQBUFZVKKZRGOF-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1ccc2ncccc2c1 55090719 FBPNHUGNAUFSPX-OAQYLSRUSA-N 440.906 3.034 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)cc1C 169758074 QOJBFUUESNUADP-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA O=C(c1cccc(Cl)c1F)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593339 MBAWPIMSUUTDDS-FQEVSTJZSA-N 429.923 3.428 0 50 IGAA Cc1ccc(C(=O)N2CCN(C(=O)C3(OCc4ccccc4)CCOCC3)CC2)cc1F 435064137 DRFKCTAAGMHTPE-UHFFFAOYSA-N 440.515 3.185 0 50 IGAA NC(=O)c1ccc(-c2nc(COC(=O)[C@@H]3CCCCN3Cc3ccccn3)cs2)cc1 790080894 YFMKGRPANDNUDV-FQEVSTJZSA-N 436.537 3.402 0 50 IGAA O=C(c1ccc2ncnn2c1)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875242062 LTJULAYQQRSLMT-FCHUYYIVSA-N 428.448 3.413 0 50 IGAA O=C(CCC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1)N1CCOCC1 1875258451 CQGXDPLGPMAVCB-NRFANRHFSA-N 430.932 3.041 0 50 IGAA Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301117 ADSIXSRHZOTEGK-MRXNPFEDSA-N 446.422 3.425 0 50 IGAA Cc1cc(N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)ccc1Br 2325732484 PEVHMIFIOIJJRO-UHFFFAOYSA-N 437.768 3.414 0 50 IGAA CCc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)[C@H]3CCC(=O)N(CC)C3)C2)cc1Cl 2325864639 URYAPDBUZISTJD-RBUKOAKNSA-N 433.980 3.272 0 50 IGAA COc1cc2nc(-c3ccc4c(c3)C(=O)N(Cc3cccnc3)C4=O)oc(=O)c2cc1OC 692629 CLCGKLGNWCRJQC-UHFFFAOYSA-N 443.415 3.063 0 50 IGAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)nc(C)n1 702677 PAAJOCQNIBDJBA-CQSZACIVSA-N 444.488 3.439 0 50 IGAA Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccco2)n3C)c1 8606526 HFFPICXGBGHERU-UHFFFAOYSA-N 432.480 3.465 0 50 IGAA CCC(=O)N1CCc2c(sc(S(=O)(=O)Nc3cccc(C)c3C)c2C(=O)OC)C1 11790038 VNTNFXVRDMVVQM-UHFFFAOYSA-N 436.555 3.247 0 50 IGAA CCN1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1 11819095 QKMAYWSENUDWRE-QFIPXVFZSA-N 446.661 3.473 0 50 IGAA O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)NCc2ccc(F)cc2F)c1=O 11911286 BVZLMGXHWTWCDZ-UHFFFAOYSA-N 437.446 3.321 0 50 IGAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2COc4ccccc4O2)C3)n1 11977437 YKWCDPDUKISWGB-LAUBAEHRSA-N 435.455 3.159 0 50 IGAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 12753166 MUYQWIWORDJTHP-INIZCTEOSA-N 433.551 3.479 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 16667455 UVFIRIWSXWHAAU-AWXDTPSPSA-N 446.528 3.082 0 50 IGAA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)[C@@H](C(=O)O)C1 19644952 PTRBKSQNEGXMPQ-IRXDYDNUSA-N 446.569 3.485 0 50 IGAA Cc1cc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)no1 22972298 KFTVOUUHVUJJOW-OAQYLSRUSA-N 430.508 3.022 0 50 IGAA O=C(Cn1ccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)n1)N1CCOCC1 487023266 XTIYEBGWVZGUGT-UHFFFAOYSA-N 437.327 3.109 0 50 IGAA O=C(NCc1cc[nH]n1)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 1704309169 NLZQKOLZKFJUJI-URVUXULASA-N 425.533 3.288 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(F)c(Cl)c2)C1 1857688606 SCYXQUKBHCIOAW-SELNLUPBSA-N 437.987 3.308 0 50 IGAA O=c1occ(CN2CCCCC2)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1 2084292155 ZFPSIAOVVVITLV-UHFFFAOYSA-N 431.964 3.303 0 50 IGAA Cc1c(Cl)cccc1C(=O)NC1CC2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 2325901623 OHXWECPQPBZIMD-UHFFFAOYSA-N 437.927 3.317 0 50 IGAA COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 817107 WJDIUYZKIZGPKC-GFCCVEGCSA-N 427.320 3.251 0 50 IGAA COC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 956415 HSSCSBVAJAHWDH-OAQYLSRUSA-N 428.444 3.319 0 50 IGAA Cc1ccccc1CCN1CCC(CN(C(=O)c2ccc(=O)n(C)n2)C2CCCC2)CC1 12072732 ZBKRHCHNFBCYSJ-UHFFFAOYSA-N 436.600 3.428 0 50 IGAA Cn1c(CCNC(=O)[C@H]2CC23CCN(Cc2ccc4c(c2)CCO4)CC3)nc2ccccc21 12151409 ROERBRLGWDKMJM-OAQYLSRUSA-N 444.579 3.469 0 50 IGAA O=C(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1cccs1 20327051 BMUKMCRPKXKGKO-UHFFFAOYSA-N 437.569 3.059 0 50 IGAA CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)n[nH]1 242273717 YFKPVZVQCJMSNA-NCOADZHNSA-N 447.605 3.476 0 50 IGAA Cc1ccsc1C(=O)N1CCC2(CC1)C[C@](C)(NC(=O)C1CCCCC1)[C@@H](O)CO2 1704311070 WPDBQELOAJHSBT-AVRDEDQJSA-N 434.602 3.268 0 50 IGAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCCC(C)C)cc(c1)-n1ccnc1-2 1857725242 YHSVFIVISQBIRR-UHFFFAOYSA-N 448.523 3.332 0 50 IGAA COc1ccc(C(=O)/C=c2/nc(O)/c(=C/c3ccc(OCC(F)(F)F)cc3)s2)cc1 1875256648 RZWYRDSUOSCTOQ-BJPQZVBLSA-N 435.423 3.291 0 50 IGAA Cc1ccc(CNC(=O)c2cc(C)ccc2S(=O)(=O)NC(=O)c2ccsc2)cc1 1875326527 KGFYVIQKTAAYHZ-UHFFFAOYSA-N 428.535 3.414 0 50 IGAA Cc1ccc(-c2cnc([C@@H]3CCCCN3C(=O)CN(C)c3ncnc4[nH]cnc34)[nH]2)cc1 2325740504 BTZPEOQWCQRRSD-SFHVURJKSA-N 430.516 3.241 0 50 IGAA COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 824365 JLRNHEQLOWBMFS-UHFFFAOYSA-N 432.542 3.348 0 50 IGAA COc1cc(CN(C(C)=O)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C 14990401 JVFHUOFHHWKZBI-SFHVURJKSA-N 431.558 3.099 0 50 IGAA CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NCCCO)CC1 19758242 LLSJZCVPJRFFMB-UHFFFAOYSA-N 431.558 3.010 0 50 IGAA COc1cc(OC)c(C)c(N2Cc3cnc([S@@](C)=O)nc3N(C3CCCC3)C2=O)c1 44126763 GGPBJBAHBCHJBP-PMERELPUSA-N 430.530 3.429 0 50 IGAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 61717742 VXVYXEZQLBNMOF-UHFFFAOYSA-N 426.879 3.052 0 50 IGAA Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(-n2cnc(C)c2C)n1 82230374 VYQUHLNVPVRXTD-UHFFFAOYSA-N 428.899 3.342 0 50 IGAA CCOc1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 96295187 WAAICRUQYYWZIM-HXUWFJFHSA-N 428.916 3.354 0 50 IGAA COC(=O)c1nc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)sc1-c1ccccc1 206234975 BYBIYTQQVHWXCU-MRXNPFEDSA-N 434.481 3.006 0 50 IGAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)NCCn1ccc3ccccc31)C=C2 253400974 FHEUPHHTMCVKJT-UHFFFAOYSA-N 433.508 3.220 0 50 IGAA biogenic CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(C(=O)O)CN(C(=O)OCc4ccccc4)C[C@@H]3[C@H]2C1 383823663 NMANLUQNKQTXFI-MIVHDCIWSA-N 430.501 3.213 0 50 IGAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCO[C@@]2(CCOC2)C1 470197369 ZSKBSXHUHHTIBW-NRFANRHFSA-N 427.551 3.468 0 50 IGAA Cc1cccc([C@H](CC(=O)O[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)NC(N)=O)c1 733436867 JGFNBEVHUQNDFG-ZWKOTPCHSA-N 449.429 3.462 0 50 IGAA CCc1cccc(CC)c1NC(=O)[C@H](C)n1cc(CN2CCCC3(CC3)S2(=O)=O)nn1 2325850792 ICYKNIYREMKETJ-INIZCTEOSA-N 445.589 3.061 0 50 IGAA COc1cccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1 2195901 JLSFWQMVNHBADU-UHFFFAOYSA-N 425.444 3.233 0 50 IGAA Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1 2440959 HHILJTUDCGEUBW-UHFFFAOYSA-N 440.403 3.261 0 50 IGAA Cc1ccc(C2(c3noc(CN4CCC(N5CCNC(=O)CC5)CC4)n3)CCCC2)cc1 12744908 HJAJWXIWEOFVHN-UHFFFAOYSA-N 437.588 3.024 0 50 IGAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(N[C@@H](C)CC(C)(C)O)cnc21 14535941 SKYJWCSNKSTCQF-HNNXBMFYSA-N 448.564 3.415 0 50 IGAA COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1cccc(C)c1 16293624 YTQMGKAELPUWNJ-QFIPXVFZSA-N 433.512 3.448 0 50 IGAA CCN(Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCCN(C)CC2)c1 20449255 JDUYGPYWTWAFRF-XMMPIXPASA-N 441.616 3.095 0 50 IGAA COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@@H](O)CN(C)C(C)C 55199663 VVODPJIQXKIEOV-NRFANRHFSA-N 426.561 3.055 0 50 IGAA CN(C)C(=O)c1ccc(NC(=O)CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cc1 170599745 DKUNDGCAEALTBH-HOJAQTOUSA-N 429.561 3.302 0 50 IGAA C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 252444471 KLQJNVLHZBGAAF-CKEIUWERSA-N 429.380 3.107 0 50 IGAA C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCOCC1 1357410885 DHUSCLKRYPETQU-MRXNPFEDSA-N 446.523 3.338 0 50 IGAA N=c1nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH]c(=Nc2ccccc2)[nH]1 1875352012 QCOJGLYEDOXRMB-UHFFFAOYSA-N 441.451 3.174 0 50 IGAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 703518 CSEYYAYEYPKPPD-IBGZPJMESA-N 426.494 3.270 0 50 IGAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc(OC)c1OC 706358 NGMJGZCWBCTJCM-FQEVSTJZSA-N 426.469 3.126 0 50 IGAA COc1cc(/C=C2\C(=O)NC(=O)N2c2ccccc2)cc(Br)c1OC(C)=O 2752353 WRUQHLKHVCDBON-OQLLNIDSSA-N 431.242 3.480 0 50 IGAA CCN(Cc1ccc(OC[C@H](O)CN(C)C2CCCCC2)c(OC)c1)Cc1cnn(C)c1 11814535 BZTBPGRTYGODNF-HSZRJFAPSA-N 444.620 3.455 0 50 IGAA CN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 11821517 CPCZQAQLRWUBCK-NRFANRHFSA-N 449.599 3.129 0 50 IGAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 12093709 GDVYBKCUBXMPJM-XMMPIXPASA-N 427.545 3.227 0 50 IGAA CC[C@@H](O)C1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12163469 MXSLULFVWYUVQP-KCWPFWIISA-N 448.563 3.380 0 50 IGAA Cc1cccc(SC2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccoc3)CC2)c1 55211444 WNCCGIXQXKOLDR-NRFANRHFSA-N 427.570 3.062 0 50 IGAA COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C(=O)O)C(C)C)cc1 65362564 JLVUNZNHEDANQB-FGZHOGPDSA-N 442.512 3.479 0 50 IGAA biogenic CCCCn1c(N)c(N(C(=O)CN2CC[C@H]3CCCC[C@H]3C2)C2CCCC2)c(O)nc1=O 241897369 TYCUCMYWALTASJ-MSOLQXFVSA-N 445.608 3.119 0 50 IGAA CNc1cc(-n2nc(C)cc2NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)ncn1 253425212 BKTACTXWKOKKNL-ZHACJKMWSA-N 428.500 3.467 0 50 IGAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 409415225 XJPWPPNBGMAUGL-DLBZAZTESA-N 440.887 3.419 0 50 IGAA COCCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1C 952873417 YTMHEYVLPHHHFK-IBGZPJMESA-N 437.540 3.486 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)nn1-c1ccccc1Br 1775988726 DFDTYOCQHZYDHC-FTRWYGJKSA-N 447.377 3.302 0 50 IGAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1 789174 KNTIQJQQPCLTOB-UHFFFAOYSA-N 431.297 3.169 0 50 IGAA CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 1111107 CJUXQYPRYTXJNI-UHFFFAOYSA-N 433.267 3.499 0 50 IGAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 2835637 OXVXYTJOHLDOHD-UHFFFAOYSA-N 433.313 3.270 0 50 IGAA COC(=O)c1c(NC(=S)N[C@H](C)c2ccc3c(c2)OCO3)sc(C(=O)N(C)C)c1C 2858125 POOPZXRWKWBRNB-LLVKDONJSA-N 449.554 3.321 0 50 IGAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 4147396 MHVUSWYJUWBTTL-UHFFFAOYSA-N 439.522 3.490 0 50 IGAA Cc1cccn2c(CNCCN3CCCCC3=O)c(C(=O)N(C)CCc3ccccc3)nc12 11663737 YZMCMGILMULKRU-UHFFFAOYSA-N 447.583 3.060 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1)NCc1ccc(F)c(F)c1 12112390 YBWOCQATRYDYJC-MRXNPFEDSA-N 441.482 3.045 0 50 IGAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)no1 12297997 MSMYKGPQMFFOOF-UHFFFAOYSA-N 426.473 3.249 0 50 IGAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(Cc1cc(C)ccc1C)CC2 14880494 CXGZITFUCBIPMJ-UHFFFAOYSA-N 447.535 3.284 0 50 IGAA O=C(c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1)N1CCOCC1 14980987 MQEFVIGKOWEIMG-UHFFFAOYSA-N 447.539 3.380 0 50 IGAA COc1ccccc1-c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 16392619 WPLFYCSALFFZST-UHFFFAOYSA-N 447.516 3.488 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(s/c(=C/c3ccccc3F)c2=O)=N1 16699984 SGRJGTMARLUSIA-GTENMVSRSA-N 442.537 3.387 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccs1 19911949 VNEMGMWMFOFQMF-IUYQLWOBSA-N 430.938 3.123 0 50 IGAA COC(=O)C1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 55168599 IFXOUFHOVIKBPP-UHFFFAOYSA-N 448.567 3.342 0 50 IGAA CCCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 230089038 PPXYOHXTTKWUHJ-FGZHOGPDSA-N 445.604 3.007 0 50 IGAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1NC(=O)c1ccccc1F 242339106 ZEYLEKCUIJJQPI-STZQEDGTSA-N 426.488 3.388 0 50 IGAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cn2c(n1)SCC2 299774246 FIXLWWRQOMHRIU-OAHLLOKOSA-N 434.949 3.042 0 50 IGAA COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)CC1=O 328595011 INLWCUYKCAKXGV-CYBMUJFWSA-N 440.887 3.335 0 50 IGAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1 494865257 NEEBTHPVAFHDLI-AVZYBRJMSA-N 442.003 3.283 0 50 IGAA Cc1cc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c2cccc(Cl)c2n1 670447931 UFUZGNBADPXIKG-RMIBCPJUSA-N 446.982 3.494 0 50 IGAA CC(C)[C@H](N)c1nc(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cs1 1857683103 CIEPAYVUEKIZCU-INIZCTEOSA-N 435.571 3.263 0 50 IGAA O=C(NCC1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 1875252143 LWOALMMZNQMITP-JOCHJYFZSA-N 428.554 3.050 0 50 IGAA O=C(N=c1[nH]nc([C@@H]2CCCO2)s1)N[C@@H]1C[C@H]1c1c(F)cccc1Br 1875320260 MYCDNFXVJLZLDZ-FXAINCCUSA-N 427.299 3.391 0 50 IGAA CC(C)(Cc1cn([C@@H]2CCCN(C(=O)c3cc4ccncc4cc3F)C2)nn1)C(=O)O 1875356078 SQQXBRRDYKRESA-QGZVFWFLSA-N 425.464 3.096 0 50 IGAA COC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1[C@@H](C(=O)OC)CC2 945164 ODVXWJUBIAJQLY-JTQLQIEISA-N 439.287 3.147 0 50 IGAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1Br 2502866 OOSGUMYFMONKLG-INIZCTEOSA-N 439.331 3.289 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccccc1Br 2969036 MDKUZKDXLWKLEZ-UHFFFAOYSA-N 443.388 3.124 0 50 IGAA COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cccc(-n4cccn4)c2)C3)nn1 12161520 OKPKSMVRDWHNLY-FQEVSTJZSA-N 441.491 3.380 0 50 IGAA Cc1cc(=O)c(C(=O)NC[C@@H]2CCCO2)c(CCc2ccccc2)n1Cc1ccccn1 12217149 HTDMBOWSQMNKEE-QFIPXVFZSA-N 431.536 3.294 0 50 IGAA COCCn1c(CN2CCCC[C@@H]2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C 55168970 JWTCMTDMRSSPTJ-HXUWFJFHSA-N 434.606 3.472 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(Cl)cc4)ccn3n2)c1 169777056 TZPLJWUQRNFDHF-UHFFFAOYSA-N 436.899 3.184 0 50 IGAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCC(c1ccccc1)c1ccccc1 334161191 WFBKHJGXLIFRJA-JOCHJYFZSA-N 431.492 3.429 0 50 IGAA CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1Cc2ccccc2N(C)C1 444538262 BYCAMOYZONPFHK-MBSDFSHPSA-N 432.568 3.276 0 50 IGAA COCCc1ccnc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1 490258560 ZRZIELMZTIUMBF-JOCHJYFZSA-N 432.524 3.320 0 50 IGAA COC(=O)[C@]12C[C@@H]3C[C@H](C[C@](C(=O)OC)(C1)C31SCCS1)C21SCCS1 584904277 USUJXQSLMQPUQO-HMEQZMJYSA-N 432.654 3.491 0 50 IGAA CC(C)(C)c1ccc(OCc2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1 951726866 MPSGQXSTYKDHMB-AWEZNQCLSA-N 449.602 3.201 0 50 IGAA Cn1ccc(N2CCC[C@H](NC(=O)c3cc(-n4cccc4)cc(C(F)(F)F)c3)C2=O)n1 1875320593 GORIDXRQECBIGS-KRWDZBQOSA-N 431.418 3.155 0 50 IGAA Cc1[nH]nc2ncc(C(=O)NCC[C@@H]3[C@H](C)CCCN3C(=O)c3cccc4c3COC4)cc12 1875359668 MGFVEMOWJPAWEJ-IVZQSRNASA-N 447.539 3.357 0 50 IGAA C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 1549363 DWJXYEABWRJFSP-XOBRGWDASA-N 432.467 3.211 0 50 IGAA biogenic,in-vitro Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1S(=O)(=O)NCCO 1824218 TVEMANRHCYGEAP-UHFFFAOYSA-N 448.548 3.488 0 50 IGAA CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccnn2C)c(Cl)cc1Cl 2793876 WHRUYVWTQIJWPM-UHFFFAOYSA-N 433.361 3.030 0 50 IGAA Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(C)c(Cl)c(=O)oc3c2)cc1 2999578 AZFHGQWUZZZHNK-UHFFFAOYSA-N 435.885 3.337 0 50 IGAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1OC 6245005 VSWCGGQQFNAGQG-UHFFFAOYSA-N 427.482 3.176 0 50 IGAA CN(Cc1ccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1)Cc1ccon1 11785197 SHEJMOUIOMUWKK-IBGZPJMESA-N 449.555 3.450 0 50 IGAA O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC[C@@H]1COc2ccccc2O1 12076380 HQHCJSDANXKEHY-QGZVFWFLSA-N 432.480 3.421 0 50 IGAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(CCO)Cc2ccccc2)CC1 12192036 BZGPGUBSFYAZHW-UHFFFAOYSA-N 430.932 3.364 0 50 IGAA C[C@H](Cc1ccsc1)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12218981 JZIKDDZGOSKWMT-MRXNPFEDSA-N 435.549 3.211 0 50 IGAA CCOc1cc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)ccc1OC 12454667 MAQZXQHQYNISKS-LJQANCHMSA-N 427.549 3.149 0 50 IGAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCCc3ccncc3)c2C)n1 15008229 ZZUPCMQVTRUSJB-UHFFFAOYSA-N 428.496 3.404 0 50 IGAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)cc1C 20586414 JKMWDOBEZQGIPW-UNMCSNQZSA-N 430.508 3.192 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCOc3ccccc32)c(C)c1 241124376 JHSWPGOFRIRHKB-PMACEKPBSA-N 428.554 3.405 0 50 IGAA COCc1cc(Cl)cc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)c1 811150965 DHWLKXIXVZUBQJ-UHFFFAOYSA-N 432.723 3.297 0 50 IGAA Cc1nc(C(=O)N2C[C@H]3CN(C(=O)Nc4c(C)cccc4Cl)C[C@@]3(CO)C2)cs1 1772811120 QAZHNUQYOOPABF-VBKZILBWSA-N 434.949 3.012 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c(Cl)c1Cl 810467 FUTMRCBFKCPPFZ-UHFFFAOYSA-N 445.324 3.275 0 50 IGAA Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 1139913 YOSOPUATFLGLNP-UHFFFAOYSA-N 431.558 3.094 0 50 IGAA COCCNC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 1806133 SREOKKUNVPCQJI-UHFFFAOYSA-N 448.541 3.281 0 50 IGAA CCOc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1 2814475 LEDMXXRHWQCMOA-UHFFFAOYSA-N 436.599 3.209 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1OC 8915339 VVCZJTICMGHIIA-FUHIMQAGSA-N 438.402 3.116 0 50 IGAA CCc1ccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3cc(Br)ccc32)cc1 9935460 HKDLDYJSFOAXEM-UHFFFAOYSA-N 430.302 3.147 0 50 IGAA CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)C1 12100097 TVLFXEZAVHZREF-AMGIVPHBSA-N 446.547 3.410 0 50 IGAA CN(C)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12306362 KBNCPJRYVGRRBZ-OAQYLSRUSA-N 449.599 3.129 0 50 IGAA COCCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 13880717 JRHBSKCAVKNTEZ-UHFFFAOYSA-N 445.368 3.337 0 50 IGAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 14733302 NFXBTQOBPUDCGK-INIZCTEOSA-N 425.529 3.435 0 50 IGAA COC[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(C3CCCC3)C2=O)C1 19836588 DJELQQHSUSSZAI-DFBJGRDBSA-N 426.557 3.209 0 50 IGAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCN(CCC(N)=O)CC2)c(C)s1 23358295 WDFPNRXIHPDBAS-UHFFFAOYSA-N 441.576 3.350 0 50 IGAA CCOc1ccccc1CN1CCN(C2CCN(Cc3ccccn3)CC2)C[C@@H]1CCO 23373496 IJJSEWAUGKHGEX-VWLOTQADSA-N 438.616 3.014 0 50 IGAA CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 170605536 UQLPRYWJIYXLTC-OAHLLOKOSA-N 428.327 3.451 0 50 IGAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn2ccnc2)c2ccccc21 263585954 OEPVHCJXWHCQPP-IBGZPJMESA-N 425.533 3.017 0 50 IGAA biogenic CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 726526291 UTQGZMHQFCQECG-NRFANRHFSA-N 447.457 3.207 0 50 IGAA COC(=O)[C@H]1C[C@H]2CN(Cc3c(C)ccc4ncccc34)CC(=O)N2[C@H]1c1ccccc1 1857719804 VVXHWYIWRWNJNZ-OWHZGTRUSA-N 429.520 3.490 0 50 IGAA O=C(c1cc(Oc2ccccc2)ccc1O)N1C[C@H](O)[C@@H](N2CCc3ccccc3C2)C1 2325841444 VHXKLCCABVVJHJ-ZCYQVOJMSA-N 430.504 3.428 0 50 IGAA COc1ccc(C(=O)NC(=S)N(C)Cc2ccccc2)cc1I 676679 DLXJZRCIICCAFT-UHFFFAOYSA-N 440.306 3.447 0 50 IGAA O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 815539 PKHGYKLZBDFCHO-CQSZACIVSA-N 426.897 3.118 0 50 IGAA CCOc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 882329 AZJJJXYMGLQWBZ-UHFFFAOYSA-N 430.570 3.333 0 50 IGAA CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 2876634 NWNSMQDECYBLQW-UHFFFAOYSA-N 441.912 3.024 0 50 IGAA CCOC(=O)C[C@@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccc(OC)cc1 3622661 CWZXOGSPCLGUER-LJQANCHMSA-N 425.437 3.235 0 50 IGAA Cc1nc(SCC(=O)Nc2ccccc2Sc2ccccc2)[nH]c(=O)c1CCO 11905751 IUHSEULCSPCRDC-UHFFFAOYSA-N 427.551 3.495 0 50 IGAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)N1 12154232 OLQGXKNILDHGJA-AREMUKBSSA-N 443.551 3.295 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)c2cc([C@@H](C)Cc3ccc4c(c3)OCO4)no2)o1 12282861 WCRLJECIPITTSM-ZDUSSCGKSA-N 426.425 3.449 0 50 IGAA COc1ccccc1C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 14994949 MOYLDTGMVJZIQA-XMMPIXPASA-N 439.487 3.197 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1OC 15659549 NOQGDMNLWXQGAW-VOSMRYOYSA-N 448.544 3.115 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 17096639 VWIQHAOFMREESV-UHFFFAOYSA-N 429.586 3.449 0 50 IGAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCC(=O)c1ccc(OC)cc1 20208006 UYINVMFVPACQCX-UHFFFAOYSA-N 429.605 3.313 0 50 IGAA COc1ccc(C=O)cc1Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2OC)c1=O 20353623 HDIWHZNBDPQHDO-UHFFFAOYSA-N 445.475 3.042 0 50 IGAA CC(C)Oc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 22752445 DYZQWAQYCZOCDH-UHFFFAOYSA-N 425.558 3.235 0 50 IGAA Cc1nc(-c2c3n(c(=O)n(Cc4ccc(OC(F)(F)F)cc4)c2=O)CCCCC3)no1 169763978 DXHDDDLOUMILPZ-UHFFFAOYSA-N 436.390 3.042 0 50 IGAA C[C@@H]1C[C@H](NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C 252480904 CGANAKFHMFTXPF-NRSPTQNISA-N 431.577 3.182 0 50 IGAA O=C(NCCCO[C@@H]1CCCCO1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 253431609 SOHGOIQZKFQRLQ-HXUWFJFHSA-N 436.505 3.290 0 50 IGAA N=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(NC(=O)C(F)(F)F)c2)N1)OCCCO4 917417758 YDXHYVKOCBSQRS-MRXNPFEDSA-N 446.389 3.195 0 50 IGAA COc1ccc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2cccc(F)c2)C3)c(OC)c1OC 2356143041 SAFYWLCKKVVQFB-ZDUSSCGKSA-N 426.448 3.213 0 50 IGAA O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1c1ccc(I)cc1 947616 PYAHXDFGYXGZGP-UHFFFAOYSA-N 440.624 3.433 0 50 IGAA COc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2N2CCOCC2)cc1OC 1065377 ASWJSZZGOGLOQT-UHFFFAOYSA-N 435.933 3.321 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 1196022 PUJJLAXSEQPJAU-FBHQFGEZSA-N 448.544 3.115 0 50 IGAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)Cc2ncccc2C)c1 11937780 GITTYZZQPVWEBZ-QGZVFWFLSA-N 425.529 3.149 0 50 IGAA COc1ccc(C(=O)NCc2nnc(SC)n2-c2ccc(F)cc2)c(OC)c1OC 12124130 GUSUVXSRBOFACV-UHFFFAOYSA-N 432.477 3.084 0 50 IGAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CSc2ccccc2)C1 12206972 RRZMXNJAMVYKIB-GOSISDBHSA-N 428.554 3.221 0 50 IGAA COc1ccc(Cc2nc3ccc(C(=O)N(C)CCc4cnn(C)c4)cc3o2)cc1OC 12588704 NULWDWWKMYVOQV-UHFFFAOYSA-N 434.496 3.484 0 50 IGAA CCn1cc(CN2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccn3)C2)c(C)n1 14732591 MHWRTKLDSNUVDM-QHCPKHFHSA-N 425.577 3.169 0 50 IGAA CCc1cc2c(cc3c(=O)n(CC(=O)NCCCN4CCCCCC4)nc(CC)n32)s1 15943762 RWMVDXZGKJPUHS-UHFFFAOYSA-N 443.617 3.218 0 50 IGAA COc1ccc(CCN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 23312175 FEZPRYOONSKCOU-OAQYLSRUSA-N 432.568 3.331 0 50 IGAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cc(F)ccc1Cl 169752548 QIMYPIWHMUWANM-UHFFFAOYSA-N 426.835 3.087 0 50 IGAA CCc1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757858 VDNDWEMPBABCMQ-FQEVSTJZSA-N 425.872 3.418 0 50 IGAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1cccc3cccnc13)CCO2 299757261 JPVDAJPFHPYYPZ-QHCPKHFHSA-N 430.552 3.340 0 50 IGAA CC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 299761016 QHGGCDVLYLDKSR-BVZFJXPGSA-N 442.531 3.373 0 50 IGAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)Cc2c(C)nn(C)c2Cl)CC1=O 328595846 GMNVSIBNUYQSDG-GFCCVEGCSA-N 425.316 3.055 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(F)c2Cl)C1 1857706159 BWAFDODBRCRTAW-SELNLUPBSA-N 437.987 3.308 0 50 IGAA CO[C@H]1C[C@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)c2cncn2-c2ccc(F)cc2)C1 1875254767 ROGHELFHFFINAS-AZUAARDMSA-N 432.459 3.399 0 50 IGAA COC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 703380 LQBUHRAWRQNFBN-VXGBXAGGSA-N 426.494 3.283 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CC1 1113456 ZUWLKXYKXDHWQO-YCRREMRBSA-N 428.510 3.488 0 50 IGAA CC(C)(COC(=O)c1ccc(Br)cc1)NC1=NS(=O)(=O)c2ccccc21 1156956 BMIGALIAFXHHLQ-UHFFFAOYSA-N 437.315 3.123 0 50 IGAA COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(=O)cc(-c3ccccc3)oc2c1 9373489 NASAJDYEYOWSPU-UONOGXRCSA-N 426.421 3.341 0 50 IGAA biogenic COc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3ccccc3)CC2)cc1 11966321 WERHTZLTNYBQBU-QHCPKHFHSA-N 433.552 3.286 0 50 IGAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCc4cccc(C)n4)c3C)n2)c1 12079576 NIBRACWTWJDAAL-UHFFFAOYSA-N 444.495 3.288 0 50 IGAA O=C(Cc1ccc(N2CCC(N[C@H]3CCOC3)CC2)cc1)NCCc1cccc(F)c1 12218651 WRMBRCSEFOKFLY-QHCPKHFHSA-N 425.548 3.074 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N(C)C[C@@H]4COCCO4)c(C)c23)c1 19884429 OFCFSUSUUGUSPE-QGZVFWFLSA-N 442.541 3.108 0 50 IGAA CCc1c(C)sc(NC(=S)N2CCN(Cc3cnn(CC)c3C)CC2)c1C(=O)OC 20191458 VERDQGSBKPHERG-UHFFFAOYSA-N 449.646 3.445 0 50 IGAA CO[C@@H](C)C(=O)N1CCC(CN(CC(F)(F)F)C(=O)[C@@H](C)OC)(c2ccccc2)CC1 170600396 BMRSLBVQXUECLU-DLBZAZTESA-N 444.494 3.008 0 50 IGAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H](NC(=O)c4cc5ccccc5o4)C3)ccc2N1C 446621791 XPKIKBMPSFJIRB-QAPCUYQASA-N 446.507 3.244 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c2ccc(F)cc2N1 446639902 UKASZOBZRHKIJU-FUHWJXTLSA-N 435.455 3.419 0 50 IGAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952895330 ZXPJRYICZLLEEX-IBGZPJMESA-N 446.364 3.493 0 50 IGAA CCOC(=O)Cc1cnc(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)s1 1310884279 MUSBYCUFKPTZSK-GFCCVEGCSA-N 444.282 3.406 0 50 IGAA CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc2c(Br)cc(F)cc2[nH]1 1875334791 FDDYYHFCFJOCEI-OAHLLOKOSA-N 428.327 3.451 0 50 IGAA Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3cc(Br)cn3)cn2)cc1 2808292 WSHDTLFMOGPXLK-UHFFFAOYSA-N 430.335 3.117 0 50 IGAA O=C(c1ccco1)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1 11881972 MONMXMWXUDEGRM-DEOSSOPVSA-N 439.487 3.214 0 50 IGAA O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12376249 XASPBKRMCHOBPI-UHFFFAOYSA-N 441.597 3.364 0 50 IGAA COc1ccccc1CN1C[C@@H](C(=O)NCC2(N3CCCCC3)CCCC2)CCC1=O 12432459 UVQPBZIQGNXARS-NRFANRHFSA-N 427.589 3.349 0 50 IGAA Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N[C@H](C)c2nnc(C)[nH]2)c1 12449363 ZEZIPJCTVOQUNP-QGZVFWFLSA-N 434.544 3.351 0 50 IGAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C1CCCCC1)CC2 14534109 PSTLEDRJLCNEJK-UHFFFAOYSA-N 429.561 3.273 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)CN1Cc1ccccc1 32565233 DMVBENLFCFTJJE-RTWAWAEBSA-N 435.490 3.201 0 50 IGAA COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@H](O)CN1CCCCC1 55099926 HHTVQZLDKSITHT-JOCHJYFZSA-N 438.572 3.201 0 50 IGAA CCCSc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 96027674 OBDHBBNQYZEQHH-UHFFFAOYSA-N 438.597 3.404 0 50 IGAA O=C(c1ccc(I)c(O)c1)N1CCCN(Cc2ccccc2)CC1 170595323 MJNYPQNKLCQJNK-UHFFFAOYSA-N 436.293 3.345 0 50 IGAA CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 252515791 NONATOUIECKAPG-WOJBJXKFSA-N 433.474 3.315 0 50 IGAA O=C(N[C@@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1)c1ccccc1 486185714 LRWYCFPKNQZOIH-IFMALSPDSA-N 434.467 3.357 0 50 IGAA COc1ccccc1NS(=O)(=O)c1cc(C(=O)OCCCc2cn[nH]c2)ccc1C 816158064 KHALHLRORGWYJX-UHFFFAOYSA-N 429.498 3.317 0 50 IGAA O=C1[C@@H](N2CCN(c3ncnc4ccsc34)CC2)CCN1c1ccccc1OC(F)F 1875260474 KZRWQASXWKWQME-INIZCTEOSA-N 445.495 3.220 0 50 IGAA Cc1nn(C)c(C(=O)O)c1S(=O)(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 2325829005 XVDRSGIHOSIUPH-UHFFFAOYSA-N 437.827 3.067 0 50 IGAA CO[C@](C)(C(=O)N1CCC[S@@](=O)(=NC(=O)c2ccc(C)o2)CC1)c1ccccc1F 2332238832 NOJBWLVAPWASJP-JRPXNJEYSA-N 436.505 3.129 0 50 IGAA COc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3ccc(OC)c(OC)c3)C[C@@H]2C)cc1OC 656004 LFTQADBBWFWJDL-HOTGVXAUSA-N 442.512 3.096 0 50 IGAA COc1ccc(CCNC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)cc1OC 4291073 QUHZRGVNEZCEQN-UHFFFAOYSA-N 448.519 3.372 0 50 IGAA COc1cccc(CCNC(=O)[C@H]2CC23CCN(Cc2cccc(OCCO)c2)CC3)c1 12217580 BGXMRUSOSFWJNR-XMMPIXPASA-N 438.568 3.027 0 50 IGAA COc1cc(CNCCc2ccncc2)ccc1OC[C@@H](O)CN1CCCCCCC1 12434824 BIUCWEKYXJVDDO-QHCPKHFHSA-N 427.589 3.428 0 50 IGAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NC1CCN(Cc3ccccc3)CC1)C2 14533244 QMGCEUQQGSDEAE-JOCHJYFZSA-N 435.616 3.158 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 16004285 CZWDFJMRMULTRY-UHFFFAOYSA-N 435.571 3.009 0 50 IGAA COc1cccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)c1 169772952 OMFBZCPEAQROER-NSHDSACASA-N 429.274 3.326 0 50 IGAA Cc1ccc([C@H](NC(=O)CCc2nc(-c3cccs3)no2)[C@@H](C)S(C)(=O)=O)cc1 225497976 RYUXONDXGVUNTF-AUUYWEPGSA-N 433.555 3.330 0 50 IGAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 244723758 MGTUTWHRNCGJJN-LEWJYISDSA-N 447.535 3.039 0 50 IGAA CC(C)n1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)c2)n1 408521138 JQRYWZGJKHWYCN-UHFFFAOYSA-N 442.545 3.008 0 50 IGAA O=C(Cn1cc(Cl)c(O)nc1=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 468097886 UQUQFCCWYPIGLH-UHFFFAOYSA-N 443.912 3.412 0 50 IGAA CC(=O)c1cccc(OCCOCCOCCOCCOCCC(=O)OC(C)(C)C)c1 725239162 DXWGGZWWERDAIX-UHFFFAOYSA-N 440.533 3.066 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)C[C@@H]21 754610084 SSPHOLPQKALSPV-CAOSSQGBSA-N 441.594 3.058 0 50 IGAA COc1cccc(N2CCN(C(=O)[C@@H](c3ccc(F)cc3)N3CCCCC3)CC2=O)c1 824782238 YCPIMUZMCSAFRA-HSZRJFAPSA-N 425.504 3.237 0 50 IGAA OC1CCN(c2nc(Nc3ccc4c(c3)CCC4)nc(N3CCC(F)(F)CC3)n2)CC1 1875387177 SIHPNCVPXFRSJC-UHFFFAOYSA-N 430.503 3.301 0 50 IGAA C[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(C)C(=O)[C@@H]2C=C[C@H]1C)c1nc2cc(Cl)c(Cl)cc2[nH]1 2325823853 GIEHTQREGPHRTK-HJSFRDAXSA-N 435.311 3.100 0 50 IGAA CCC[C@@H]1C[C@H](C(=O)N=[S@]2(=O)CCCN(c3nc(C(C)C)ns3)CC2)CCO1 2332238697 HZMMBIGTZFJULT-XWBFJWKOSA-N 428.624 3.462 0 50 IGAA CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 675258 AZQFWKDIIKVBDM-UHFFFAOYSA-N 440.525 3.474 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1 783950 ONCHTKYIAZJMQS-UHFFFAOYSA-N 438.933 3.397 0 50 IGAA Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2ccncc2)cc1 949961 GQXPZCVBAJAMTC-UHFFFAOYSA-N 444.520 3.467 0 50 IGAA CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2cccc(C(=O)Oc3ccccc3)c2)cc1 1125076 LTAMWTDACHBUQH-UHFFFAOYSA-N 446.459 3.337 0 50 IGAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 2849162 WQAVJLQLOVZDCP-UHFFFAOYSA-N 435.933 3.321 0 50 IGAA CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 6530717 GCIQCLMWEVMUSU-FQEVSTJZSA-N 445.567 3.400 0 50 IGAA O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 13943530 XWQIBMUEVAWWJY-UHFFFAOYSA-N 426.226 3.486 0 50 IGAA CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@H]1CCSC1)CC2 14531796 IHLXTICOWICKDP-FQEVSTJZSA-N 427.614 3.414 0 50 IGAA CNS(=O)(=O)c1cc(NCc2ccccn2)cc(C(=O)Nc2ccc3c(c2)CCC3)c1 14743079 GMEASMUAEHLTHF-UHFFFAOYSA-N 436.537 3.343 0 50 IGAA O=C(/C=C/c1ccc(F)cc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 14993426 GAKHTZSCQHAUQI-MECCDNJOSA-N 448.542 3.211 0 50 IGAA Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 40267191 FPIUTHHUXLTCCT-AWEZNQCLSA-N 427.390 3.420 0 50 IGAA Cc1ccc([C@H](NC(=O)CCc2nc(-c3cccs3)no2)[C@H](C)S(C)(=O)=O)cc1 225497917 RYUXONDXGVUNTF-IFXJQAMLSA-N 433.555 3.330 0 50 IGAA COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1OC 238900226 IANOFGIXLFMBEJ-JKIFEVAISA-N 446.472 3.034 0 50 IGAA CCN1CCC(N2C[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C[C@H]2C(=O)OC)CC1 299757456 HRNGWMYKGGQQEW-VWNXMTODSA-N 449.595 3.035 0 50 IGAA O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCc2c[nH]c3ccccc23)C1 809385724 MAJLMDJPPMHTFA-LJQANCHMSA-N 427.526 3.041 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)CC1 1875365016 WUJGPVSLWFRGLR-LEWJYISDSA-N 441.572 3.320 0 50 IGAA COc1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 1078751 FWYGQGLPTCJELU-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA Cn1c2ccccc2c2nnc(SCC(=O)NC3=NN=C(c4ccccc4)CS3)nc21 1122273 URQKMDCSNHEODB-UHFFFAOYSA-N 447.549 3.232 0 50 IGAA COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 1123214 RTAAZSZNSGKEQB-UHFFFAOYSA-N 443.504 3.183 0 50 IGAA COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)cc1 1129546 JMRLZBXYOKWZAY-UHFFFAOYSA-N 445.932 3.138 0 50 IGAA COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(OC)c3)NC2=S)cc1 8399620 SMJRXNVNGASXBL-NVNXTCNLSA-N 448.884 3.083 0 50 IGAA CC[C@@H](C)CN1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CCCN(C)C)C2=O)CC1 11997440 STADMWLPXZBUGI-CLOONOSVSA-N 446.611 3.369 0 50 IGAA CC[C@H](C)CN1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CCCN(C)C)C2=O)CC1 11997443 STADMWLPXZBUGI-DFBJGRDBSA-N 446.611 3.369 0 50 IGAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1[C@@H]1CCN(Cc2ccccc2)C1 12279395 SRRODPDCOZNMTK-XZOQPEGZSA-N 425.548 3.450 0 50 IGAA CN(C(=O)CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCOCC1)C1CCCCC1 14881349 DNQMRDUKDOASFK-XUZZJYLKSA-N 428.621 3.176 0 50 IGAA O=C(CSc1nc(O)c2cc(I)ccc2n1)N1CCCCC1 16393375 XNUPSXXGBZXEOZ-UHFFFAOYSA-N 429.283 3.045 0 50 IGAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 195496163 FFGBLSPSVYZOAE-KLHDSHLOSA-N 430.592 3.143 0 50 IGAA O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 226405217 YOVVHYBLJBTBBX-MAODMQOUSA-N 432.476 3.325 0 50 IGAA O=C1N[C@H](CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587982 NSTGDDGPHCMWBV-WOJBJXKFSA-N 431.496 3.147 0 50 IGAA COc1ccccc1CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)c2ccccc2)CC3)CC1 299768770 KNYCYVHCFYJRHM-HSZRJFAPSA-N 447.579 3.282 0 50 IGAA CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCOC[C@H]2c2cccn2C)cc1 463404784 NLPWPAJZEDGAKG-FQEVSTJZSA-N 425.558 3.421 0 50 IGAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)s1 476768909 SXZHMRNUGPCFAA-LLVKDONJSA-N 434.370 3.101 0 50 IGAA O=C1CO[C@H](C(=O)N2CCC(Oc3cccc(F)c3)CC2)[C@@H](c2ccccc2Cl)N1 1940197897 AKMQRPZROIWAOW-RTWAWAEBSA-N 432.879 3.105 0 50 IGAA O=C(OCCN1CCc2ccccc21)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2ccccc2c1 2325745669 RBDHXYZPYWGTFL-VWNXMTODSA-N 430.504 3.021 0 50 IGAA C[C@@H](NC(=O)[C@@H](N)c1ccccc1I)c1ccc2c(c1)CCC(=O)N2 2325861686 XOXSTFFXPFRWOK-ZMZPIMSZSA-N 449.292 3.053 0 50 IGAA CCCc1nc(C)c(C(=O)N=[S@@]2(=O)CCCN(C(=O)c3cc(OC)cs3)CC2)o1 2332238619 FVUOIXGVGQGQSR-GDLZYMKVSA-N 439.559 3.160 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1 1472267 FAVBSXZCGOMWFZ-UHFFFAOYSA-N 427.482 3.330 0 50 IGAA CC1CCN(C(=O)CSc2nnc(CC(=O)Nc3ccc(F)c(Cl)c3)n2C)CC1 10804020 OIEKHPLOPFTGEG-UHFFFAOYSA-N 439.944 3.139 0 50 IGAA Cc1ccc(C(=O)N2CCC(Oc3cccc(CN(C)CCn4cncn4)c3)CC2)cc1 11880998 SOSWDCFXVSSIQY-UHFFFAOYSA-N 433.556 3.402 0 50 IGAA Cc1csc(SCC(=O)NC[C@@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)n1 11912359 KTKDDBVTEAOBJJ-SFHVURJKSA-N 432.615 3.269 0 50 IGAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(C[C@H]3CC=CCC3)CC2)C1=O 14531350 WZORCDNYRZARDK-QFIPXVFZSA-N 425.573 3.331 0 50 IGAA Cc1ccoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2CC2CC2)C1 14537361 WWPYIYFDLCMYMW-UHFFFAOYSA-N 439.541 3.122 0 50 IGAA COc1ccccc1OCC(=O)NC[C@H]1Cc2c(F)ccc(-c3nc(C)cnc3C)c2O1 14885192 YGRINYDRLBYISW-MRXNPFEDSA-N 437.471 3.407 0 50 IGAA CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CSc1nc(SC)ns1 16447744 XCNDSNCNSDFLJC-UHFFFAOYSA-N 435.556 3.353 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccc(Cl)cc1 32578196 VETUAKACEQTRHX-FPOVZHCZSA-N 437.918 3.114 0 50 IGAA CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65365624 GSVCCEHIJGBFGQ-IBGZPJMESA-N 448.527 3.070 0 50 IGAA CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1=O 242273568 YDYOORRNCVKOJW-ILWGZMRPSA-N 435.568 3.465 0 50 IGAA COc1ccc(Cc2[nH][nH]c(=O)c2[C@@H](CC(N)=O)c2ccc(OC)c3ccccc23)cc1 253413529 VACULYQQPLLDII-FQEVSTJZSA-N 431.492 3.472 0 50 IGAA C[C@@H](NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(F)c1 1323226476 TVNDILDDDDPUPL-DOMZBBRYSA-N 435.883 3.164 0 50 IGAA CC[C@H](C)[C@H](C)C(=O)N1CCC([S@@](C)(=O)=NC(=O)c2ccccc2-n2ccnn2)CC1 2332238997 SYUZVZYSLICLLB-AWDQROCPSA-N 445.589 3.179 0 50 IGAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Br 660628 SCMJZGZZVXWNAP-UHFFFAOYSA-N 429.311 3.108 0 50 IGAA COc1ccc(OCc2cc(C(=O)N3CCC[C@@H](CN4CCCC4=O)C3)no2)c(Cl)c1 12206487 CVFKBESIJARMNV-HNNXBMFYSA-N 447.919 3.390 0 50 IGAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccsc1)CC2 14537272 WVTWNDALWCCRML-UHFFFAOYSA-N 443.569 3.202 0 50 IGAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)c1=O 14986600 KVCBDRVAPHXMQT-KRWDZBQOSA-N 449.555 3.477 0 50 IGAA CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 72115714 OLDZELMGUAXGHH-UHFFFAOYSA-N 435.532 3.340 0 50 IGAA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(N4C(=O)[C@@H]5[C@@H]6C[C@H](C=C6C)[C@H]5C4=O)c3)C(=O)[C@H]12 100698767 JKROXVDDUXEPSC-VRQGMAQHSA-N 428.488 3.090 0 50 IGAA O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccc(O)cc1I 225434621 NJMGQSDRIVGACY-RMKNXTFCSA-N 446.248 3.289 0 50 IGAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5C)CC4)c3CO2)cc1 263616217 HQMLBZHMPYWQRJ-QHCPKHFHSA-N 447.539 3.137 0 50 IGAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(CN2CCCC2=O)cc1 303079906 UIMLOHLVLZBARJ-JOCHJYFZSA-N 441.959 3.266 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 334159677 IXLFYPLDMWWGNU-FPGHNAPASA-N 427.545 3.169 0 50 IGAA CS(=O)(=O)c1cccc([C@@H](NS(=O)(=O)c2c(F)cccc2F)c2ccccc2)c1 462602766 NAERPXJZFPGQST-IBGZPJMESA-N 437.489 3.436 0 50 IGAA Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 478603678 NPMMSWFKCXLKQM-SJBKTWHCSA-N 445.523 3.316 0 50 IGAA Cc1cc(C)c(-c2cc(NC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n[nH]2)cc1C 918388364 DNMPKXXISDIPAJ-RUZDIDTESA-N 443.507 3.334 0 50 IGAA O=C([C@@H]1C[C@H]1c1cccs1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 1857798538 MCTVDBBTDBBIHI-MRVWCRGKSA-N 444.372 3.423 0 50 IGAA O=C(O)C[C@@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1nccs1 2325877098 IYMRBOVODJYOBA-HWPZZCPQSA-N 445.444 3.225 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 639855 YYWWYQWOTBHZIY-UHFFFAOYSA-N 437.521 3.418 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 844264 PREJBSGFXZTVGK-KRWDZBQOSA-N 447.285 3.492 0 50 IGAA CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCCc3cn[nH]c3)c21 11789450 QWOUPWJQRPGGAH-UHFFFAOYSA-N 446.511 3.386 0 50 IGAA COc1ccc(C2(C(=O)NCCc3nnc(SC[C@@H]4CCCO4)n3C)CCCC2)cc1 12245710 UNBNLPHXYATNCC-IBGZPJMESA-N 444.601 3.266 0 50 IGAA CCN1CCC[C@H]1CNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 14975718 BGLNCHCOIDMHPL-VWLOTQADSA-N 426.649 3.272 0 50 IGAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2cccc(Cl)c2)CC1 15441245 YTSYYUSZLFRQBI-UHFFFAOYSA-N 433.895 3.438 0 50 IGAA O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1 95920765 XRDVXQQZLHVEQZ-UHFFFAOYSA-N 427.432 3.375 0 50 IGAA in-vitro O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)CC3 238120681 KBHUFSBZJPINIK-IBGZPJMESA-N 445.519 3.232 0 50 IGAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)C(=O)[C@@H]1C=CC=CC1 239030882 CNFNVPVYNITYEO-YXZVJQAVSA-N 443.499 3.491 0 50 IGAA COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239119568 IVNLTUWZWTUYRR-CLZKWMEGSA-N 442.515 3.298 0 50 IGAA CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 239287337 CQAILSXGLKOREC-APDHKMKFSA-N 447.572 3.476 0 50 IGAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 788355866 SQUUZORPUHKIAU-JSGCOSHPSA-N 447.406 3.470 0 50 IGAA COc1cc(CN2CCC3(CC2)C[C@](C)(O)CCO3)ccc1OCCN1CCCCC1 1704309635 ZXZFPUQQCYHHNL-XMMPIXPASA-N 432.605 3.456 0 50 IGAA Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(I)c(C)n1 1066863 WSEXNJDQLVEIGU-UHFFFAOYSA-N 441.294 3.195 0 50 IGAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 2877509 ZAYFLNRUJQQMIM-UHFFFAOYSA-N 438.571 3.374 0 50 IGAA COc1cc(OC)c(S(=O)(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 8834292 MMBHRFGGSCSQEW-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA CC(C)C(=O)NCCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2 11814168 MCTMZCUWRYAYOB-UHFFFAOYSA-N 447.583 3.230 0 50 IGAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 12296960 KTJKIOWZFACJIX-OXYJHPMESA-N 447.645 3.152 0 50 IGAA biogenic O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 16648433 BRICEOXIBAARQQ-KRWDZBQOSA-N 441.553 3.148 0 50 IGAA C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 19742788 PZIBVVQHOFLDKP-LCJWNIEWSA-N 436.947 3.302 0 50 IGAA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1 22780037 ZITMZPGZZPLVEV-JOCHJYFZSA-N 436.462 3.395 0 50 IGAA CCSc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 96027677 HNLHCQXSJOKROF-UHFFFAOYSA-N 438.597 3.404 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccc(F)cc2)cc1 101468311 HYVPPESETJPGFW-CKJXQJPGSA-N 432.517 3.334 0 50 IGAA O=C(OCCn1ccccc1=O)c1cc(I)ccc1Br 170593410 FNUQJRFNCIVYQQ-UHFFFAOYSA-N 448.054 3.072 0 50 IGAA C[C@@H]1CN(CCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)CCO1 170605515 KJXBJKQQVTUNNF-SJORKVTESA-N 427.574 3.418 0 50 IGAA CCOc1ccc(-c2nnc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)o2)cc1 170609124 HUEGHKXKZOZPRD-UHFFFAOYSA-N 429.433 3.261 0 50 IGAA O=C(Nc1cccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c1)[C@@H]1Cc2ccccc2O1 732773323 PFMARWOHYXQZJW-GGAORHGYSA-N 447.535 3.246 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncc(Cl)cc1F)C2 1857682595 KKTFHWSZMAUGKD-QLVMHMETSA-N 425.932 3.135 0 50 IGAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)n1 1857798828 CFROBDNROIISHI-OAHLLOKOSA-N 446.916 3.462 0 50 IGAA Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 754704 YCTSZLPKRQVAJX-UHFFFAOYSA-N 431.491 3.327 0 50 IGAA COC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1 2998902 GGOAADSSHQCIFW-UHFFFAOYSA-N 446.485 3.447 0 50 IGAA Cc1cccc(CN2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@H]4CCCO4)C3=O)CC2)c1 11913626 NFOVGRGHQRCQEM-ATIYNZHBSA-N 448.567 3.228 0 50 IGAA CCn1nc(C)cc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 12028592 PYVCGUNSWOTWNU-GOSISDBHSA-N 442.560 3.177 0 50 IGAA COC(=O)CCNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1S[C@@H](c1ccccn1)C2 12151895 VSFCWPQTQGCMDS-OAQYLSRUSA-N 449.532 3.223 0 50 IGAA Cc1cc(CN(C)C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)on1 12190411 GIHSZXXOAJKHIV-OAQYLSRUSA-N 449.429 3.210 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 12192048 DKHGYGPVKROLOX-NRFANRHFSA-N 438.547 3.131 0 50 IGAA O=C(CCC1CCN(C(=O)CCc2cccnc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12308185 ORCPXPGNWBYMIR-VWLOTQADSA-N 448.611 3.424 0 50 IGAA COCCn1c(CN(C)CC23CC4CC(CC(C4)C2)C3)cnc1S(=O)(=O)CC1CC1 12447007 DBWMDOOJIFIPSO-UHFFFAOYSA-N 435.634 3.361 0 50 IGAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2c(C)noc2C)n1 13642321 DJZWVFZUSBJRGZ-UHFFFAOYSA-N 427.530 3.423 0 50 IGAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCc2ccncc2)c1=O 15001964 IDYUITIJRORZLN-UHFFFAOYSA-N 438.572 3.497 0 50 IGAA COc1ccc(CN(C)C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)c2cccnc12 19224315 ZYYJBBOGQMQAFF-UHFFFAOYSA-N 435.509 3.412 0 50 IGAA O=c1c(CNCc2cnn(-c3ccccc3)n2)cc2ccc(F)cc2n1C[C@@H]1CCCO1 20271865 SDVMOAKECGTEJX-QFIPXVFZSA-N 433.487 3.190 0 50 IGAA COC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1 39455516 WJJKFWUSJWONMW-UHFFFAOYSA-N 447.538 3.310 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@@H]1CCCN12 136641404 WFDQUOKRUGEQJS-MSZDEVHKSA-N 429.520 3.149 0 50 IGAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 138556121 QWMQBMFYQUXOQU-IPMKNSEASA-N 426.314 3.293 0 50 IGAA CC[C@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 170601373 IBOYQIPUYYYNPI-SFHVURJKSA-N 435.373 3.059 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]3CC[C@@]2(OC(C)=O)C(=O)COC(C)=O)C1 253503637 XGYKXXRAKKQWDL-OMDYBNMGSA-N 446.540 3.392 0 50 IGAA CN(Cc1ccco1)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 263615856 FOLGGYSXULKGHM-QFIPXVFZSA-N 448.523 3.258 0 50 IGAA O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 478926489 WALMZCXAPTVPRT-SCLBCKFNSA-N 426.416 3.392 0 50 IGAA O=c1c(-c2nc(-c3nc[nH]n3)nn2[C@@H]2CCCc3ccccc32)cccn1[C@@H]1CCSC1 1875340469 CRWFYSHHLHISQO-VQIMIIECSA-N 445.552 3.496 0 50 IGAA COC(=O)[C@H]1CC(=O)N(CCC(C)C)C12CCN(Cc1cccc(OC)c1OC)CC2 11880619 DCJJWMAKHPLRLT-LJQANCHMSA-N 432.561 3.106 0 50 IGAA CN(C[C@@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O 12325497 MPVZYEJUIKPGFQ-CYFREDJKSA-N 440.565 3.363 0 50 IGAA COc1cc(CN2CCC(CCO)CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12749568 OXQLBDTVNAGBKM-QHCPKHFHSA-N 434.621 3.294 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1 14998652 RXXRHSSUETZKOW-LEWJYISDSA-N 435.446 3.482 0 50 IGAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 19644973 INOGNAOBZREAQB-VKYMVXLJSA-N 446.569 3.175 0 50 IGAA CN1c2c(occ([C@@H]3NCCc4c3[nH]c3ccccc43)c2=O)-c2ccccc2S1(=O)=O 96028129 WRFWOOWVISDSDF-IBGZPJMESA-N 433.489 3.162 0 50 IGAA COCCn1ccc2c(C(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)cccc21 206242843 QULXXQGTSBWGJD-OAQYLSRUSA-N 432.480 3.097 0 50 IGAA O=C([C@H]1CC12CCN(Cc1ccc(CO)o1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 299764932 XBRIDNWXBIUPKK-CIFMFNLYSA-N 449.595 3.232 0 50 IGAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)nc1 464315773 FTVYJFLFOGMVHU-AWEZNQCLSA-N 436.965 3.277 0 50 IGAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C 487585833 GAHPXHDUGFOYHE-IAGOWNOFSA-N 429.524 3.363 0 50 IGAA COc1cccc(C2=NO[C@H](C(=O)Nc3ccccc3C(=O)NCc3cccnc3)C2)c1 791551991 HDQXWARHBRONKQ-QFIPXVFZSA-N 430.464 3.152 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1OC 1529134301 SLGYHLJJROBWIO-RTBURBONSA-N 425.403 3.297 0 50 IGAA O=C(c1cc(-c2ccccc2)no1)N1CC[C@H]2CC[C@@H](C1)N2c1cc(=O)n2ccccc2n1 1875359110 UQOUQXOSSKNAFY-MOPGFXCFSA-N 441.491 3.233 0 50 IGAA Cc1ccc2nc(CN3CCC(n4nnc(-c5ccc(Cl)cc5)n4)CC3)cc(=O)n2c1 1875362421 DGYJAYVKEAYDTR-UHFFFAOYSA-N 435.919 3.147 0 50 IGAA CCc1noc(C)c1C(=O)N=S1(=O)CCC2(CC1)C[C@@H](NC(=O)CC(C)C)CCO2 2332238343 MOTJCIGLFPHICI-MNJKJBDOSA-N 439.578 3.028 0 50 IGAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2)C(C)C)cc1 627618 JAWMRJQIEPUDBW-OAQYLSRUSA-N 429.494 3.318 0 50 IGAA biogenic Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(C)c(Cl)c(=O)oc3c2)cc1 627621 PUNGNBOVEUDPDA-ZDUSSCGKSA-N 435.885 3.336 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cncc(Br)c1 864971 CZRLHGWLMYKKSC-UHFFFAOYSA-N 439.316 3.354 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)c3c(C)oc4nc(C)nc(N5CCOCC5)c34)CC2)c1 8596923 OUBLISYNXZXRKJ-UHFFFAOYSA-N 449.555 3.255 0 50 IGAA Cc1ccn(CCC(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)n1 14534099 KDQZBMUQPMSKCE-HSZRJFAPSA-N 438.572 3.171 0 50 IGAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)CN1Cc1ccccc1 19770961 UYFROQDVYALWQS-RPWUZVMVSA-N 446.551 3.094 0 50 IGAA CCOc1ccc(NC(=O)CN2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 20176795 VPEDVKCNLVWRLV-UHFFFAOYSA-N 435.524 3.256 0 50 IGAA O[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 22892124 INLPHMONCSGNOQ-DQEYMECFSA-N 430.552 3.241 0 50 IGAA CC(C)N1C[C@@H](NCc2cccc(Cl)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 23362415 GUTHJYKYBYCVRD-SFTDATJTSA-N 443.975 3.369 0 50 IGAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 33933495 PGCKAJIVIJLFNR-HDMKZQKVSA-N 442.777 3.173 0 50 IGAA CC(C)NC(=O)CCN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72128946 RDPJDHXGVVVUJJ-HXUWFJFHSA-N 426.527 3.207 0 50 IGAA Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 82230599 VXJMSWAEWNFNRG-UHFFFAOYSA-N 434.569 3.471 0 50 IGAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 170623200 QLVSFRKMADKHQU-QFIPXVFZSA-N 425.435 3.097 0 50 IGAA COc1ccc(Nc2nnc(SCCC(=O)NC(=O)NCC(F)(F)F)s2)cc1 170656098 XRCHKXQACVZSIK-UHFFFAOYSA-N 435.453 3.161 0 50 IGAA CC(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1 225659329 LBQVYFPWQFWQIA-IBGZPJMESA-N 426.538 3.434 0 50 IGAA CC(C)c1ccc(N2C(=O)[C@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)N=C2O)cc1 252488719 IXLFYPLDMWWGNU-WXVUKLJWSA-N 427.545 3.373 0 50 IGAA COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCCCCC3)n1C)CC2 253414751 YMABSTUXBKNNPZ-UHFFFAOYSA-N 441.572 3.042 0 50 IGAA biogenic CC1CCN(C(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)CC1 263618799 VPRRXLMGJOLPOS-QFIPXVFZSA-N 436.556 3.265 0 50 IGAA O=C(c1ncn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCCC2)CC1 263618950 WGIFKXYVIGNSJH-NRFANRHFSA-N 440.519 3.158 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccccc2OC)[nH]n1 409413059 ARKMUCMONBPIJB-PGRDOPGGSA-N 426.561 3.438 0 50 IGAA biogenic Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)cc1 468479185 MSUXVYSZGPPZBL-KRWDZBQOSA-N 433.508 3.104 0 50 IGAA COCCOc1cccc(C(=O)OCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)c1 761388052 CVMBSTIPIQCIMU-UHFFFAOYSA-N 431.466 3.127 0 50 IGAA CC(C)(C)OC(=O)NC[C@H]1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCO1 775842296 IWNLAROPZVHOCH-HNNXBMFYSA-N 442.438 3.481 0 50 IGAA CCc1cc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)nc(N2CCOCC2)n1 1529125978 HIBJTKAJTWNWFL-UHFFFAOYSA-N 443.979 3.062 0 50 IGAA O=S(=O)(CCn1c(-c2cnccn2)cs/c1=N\c1ccc(F)cc1F)CC1CC1 1875255788 KEZVKMYSLQMACH-CLCOLTQESA-N 436.509 3.342 0 50 IGAA COc1ccc(-c2nc(C[C@@H]3COCCO3)n(-c3cncc(Br)c3)n2)cc1 1875341434 SRFFGPVMYXCWAL-QGZVFWFLSA-N 431.290 3.058 0 50 IGAA Cc1ccc(C(=O)N[C@]2(C(=O)O)C[C@@H](O)C2(C)C)cc1-c1cn(CC2CCCCC2)nn1 1875353743 FGGVJLUKUMBZMW-YKSBVNFPSA-N 440.544 3.178 0 50 IGAA Cn1ncc(Cl)c1CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1snc2ccccc12 2325823872 GPDBTOPVARMBCG-XJKSGUPXSA-N 445.976 3.331 0 50 IGAA Cc1cc(Br)ccc1NCC(=O)N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1 2325861474 RHHYKTDFBPSKTN-AEFFLSMTSA-N 427.726 3.034 0 50 IGAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCCc2scnc21)c1ccc(F)cc1F 2325877733 YWXYVBHMUZCUCR-UOVPBQLFSA-N 449.523 3.240 0 50 IGAA CC(C)[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)O 6190674 MOEKOUAXLWEPGK-WQJNHMDYSA-N 445.313 3.445 0 50 IGAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)nn1 11969200 VBBZNRJDBRAAKX-MRXNPFEDSA-N 425.455 3.496 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)C1 12034477 KXIKWMOYXNSYBL-MRXNPFEDSA-N 439.541 3.423 0 50 IGAA O=C(NCC1(O)CCCCC1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 12036746 ZGMBKXXSIPFCOC-UHFFFAOYSA-N 429.561 3.015 0 50 IGAA COc1ccc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1 12449384 BMCIPXTWFYIZMK-OAQYLSRUSA-N 435.528 3.183 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 12454728 IZLCUAGXXUTFJT-MRXNPFEDSA-N 436.434 3.298 0 50 IGAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)[C@H]3CC=CCC3)CC2=O)cc1 14749827 XRZIKHZTBZOZCG-UPVQGACJSA-N 449.551 3.203 0 50 IGAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)c1=O 15006536 KPLZFIIVLDEYIV-GOSISDBHSA-N 438.450 3.243 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 16393505 VEOIRRVAKJAQGO-UHFFFAOYSA-N 432.951 3.180 0 50 IGAA COC[C@@H](C)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(OC)c2)C1 39337746 ATQGKTNMLRZUAB-HYBUGGRVSA-N 426.557 3.002 0 50 IGAA COc1cc2nc([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)[nH]c(=O)c2cc1OC 170596413 JSLZDXRARPEWRJ-LLVKDONJSA-N 444.285 3.223 0 50 IGAA CCCN(C)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263615893 FUDASIKWYDLXTI-HXUWFJFHSA-N 428.508 3.014 0 50 IGAA CN(CCc1cnn(C)c1)[C@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 299796580 OVNHWZTUIRLKMI-IBGZPJMESA-N 433.581 3.272 0 50 IGAA Cc1nc(C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)nn1-c1c(Cl)cccc1Cl 1775988991 XWEDEOFPRQATIM-FUHWJXTLSA-N 438.359 3.241 0 50 IGAA O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 1875257976 WGHSDCZZRHFHIL-UHFFFAOYSA-N 446.898 3.272 0 50 IGAA O=C(C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 2325816950 WLWNNCJPFYWXRK-IYBDPMFKSA-N 444.478 3.488 0 50 IGAA CCOc1nc(C(=O)N2CCC[S@@](=O)(=NC(=O)CCc3ccc(C)cc3C)CC2)co1 2332238712 JFCSWLVYJKNNPV-HKBQPEDESA-N 447.557 3.163 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)CC[C@H]2CCCCO2)CC1)c1ccc2ncsc2c1 2332239094 WQEDUBBEPHNTTD-BJLXPSRBSA-N 449.598 3.486 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1Cl 823057 CDBXSRLWIQXIFX-DPWKNNTCSA-N 442.924 3.353 0 50 IGAA O[C@@H]1[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H](OCc2ccccc2)[C@@H]1O 966668 LKYYQOVISQEXFK-ZWZZYCPGSA-N 440.536 3.337 0 50 IGAA CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 6268054 RQDANZXNXNSMRG-UHFFFAOYSA-N 437.521 3.283 0 50 IGAA NC(=O)C1CCN(C(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 8442725 OOFIMMUCVFCOJU-UHFFFAOYSA-N 442.463 3.352 0 50 IGAA Cc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2s1 8606930 NBDITBSLYBTNQY-UHFFFAOYSA-N 438.440 3.208 0 50 IGAA Cc1cccc(Cc2c(C)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]c2=O)c1 9614661 KCXCQFWDZDOGPA-UHFFFAOYSA-N 432.524 3.028 0 50 IGAA COc1ccc(Cc2nnc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)s2)cc1 10060221 UGYFMLHIDWQEFU-UHFFFAOYSA-N 426.498 3.221 0 50 IGAA Cc1nc[nH]c1CN1CC(=O)N(C(C)C)C[C@H](OCc2ccc(OC(F)(F)F)cc2)C1 14747154 DQKJDCGBOANEHC-GOSISDBHSA-N 440.466 3.255 0 50 IGAA CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65364336 FMGPQIMMDPIHNC-KRWDZBQOSA-N 436.541 3.003 0 50 IGAA COc1cccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)c1 239331253 KIYKRKYHJQZHAT-ZVVFGRKBSA-N 434.529 3.418 0 50 IGAA COc1ccc(N2C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3C2=NC(=O)N3C)cc1 253471231 OFYBIZNUENRYNQ-OXJNMPFZSA-N 439.468 3.074 0 50 IGAA CCOC(=O)c1cc2c(Br)cnc(O)c2n1S(=O)(=O)c1ccc(C)cc1 306145181 CSJSYCDLYBRDCX-UHFFFAOYSA-N 439.287 3.227 0 50 IGAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1C 914455942 CSVDFASTLFSSMJ-UHFFFAOYSA-N 449.536 3.297 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(N)=O)c1cccc(F)c1 1875317853 KPWXQIIKYWQQSS-FPOVZHCZSA-N 441.503 3.393 0 50 IGAA O=C1CCN(C[C@@H]2CC[C@@H]2c2ccccc2)C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)N1 1875329091 DHDYKJVWEOUTCK-CAOCKLPOSA-N 442.563 3.385 0 50 IGAA COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 857962 KLMWPADUWHHRIJ-UHFFFAOYSA-N 432.542 3.266 0 50 IGAA CCOc1ccccc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 972357 MVDYYQIURUYUOM-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA Cc1c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(=O)n(-c2ccccc2)n1C 1102102 NOZMMDYWOJZDBP-UHFFFAOYSA-N 447.520 3.448 0 50 IGAA CC1CCN(Cc2nnnn2CCCC(=O)NCc2scnc2-c2ccccc2)CC1 12298703 DISGPYGGBPQRGG-UHFFFAOYSA-N 439.589 3.125 0 50 IGAA Cc1nccn1CCN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12433776 NBGNGTMJTACRDZ-UHFFFAOYSA-N 433.556 3.402 0 50 IGAA O=C1CC[C@H](CC(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)N1 12713548 WFZJBXMQUBKJQF-HSZRJFAPSA-N 439.600 3.155 0 50 IGAA COc1ccc(CN2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccccc3)C2)cc1 14540538 WDRVSPWHMGXJPF-RUZDIDTESA-N 438.568 3.351 0 50 IGAA CC1=C/C(=N\N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C(=O)O)cc3)S2)CC(C)(C)C1 15746667 YLXKJNWCJDIKFN-WTJYETQFSA-N 428.514 3.423 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1OC 17094861 IILRUOUWETXBCX-UHFFFAOYSA-N 426.494 3.435 0 50 IGAA O=C(CC[C@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1 252510234 ZFFJXCZDBKPSHO-QZTJIDSGSA-N 447.413 3.113 0 50 IGAA COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409415049 SAHUXLQJUMGPKJ-DENIHFKCSA-N 440.588 3.398 0 50 IGAA biogenic O=C([C@H](O)CNCC1CCCCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308529 JWELHTDUYPCLGC-RUZDIDTESA-N 433.596 3.431 0 50 IGAA NC[C@H]1CN(C(=O)CCOc2ccc(Br)cc2F)CC[C@H]1C(F)(F)F 2325862975 PCLNRSJNGUPLSP-CMPLNLGQSA-N 427.236 3.343 0 50 IGAA CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O 682145 OHZZSBXCQQOWSZ-UHFFFAOYSA-N 437.521 3.265 0 50 IGAA COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCC(C)C)cc(Br)c1O 821061 CICKAZYHTFIMRA-HNNXBMFYSA-N 427.295 3.333 0 50 IGAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSc1ccccn1 6348643 FPMGEVAFVTULFZ-UHFFFAOYSA-N 445.541 3.325 0 50 IGAA COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(OC)c(F)c2)CC3)c1 11882065 OQIOSWQDWDGJAA-FQEVSTJZSA-N 440.515 3.444 0 50 IGAA COc1cc(CN(C)CCc2cn[nH]c2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12075364 BUCIZGPABLBYMQ-QFIPXVFZSA-N 430.593 3.097 0 50 IGAA Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)cnn1C 14533256 YCBMUGQXUSWGKE-UHFFFAOYSA-N 431.540 3.311 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(C/C(C)=C/c2ccccc2)CC3)cc1 14976384 ATMHXVAQMJHBCS-CZIZESTLSA-N 445.567 3.221 0 50 IGAA COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)CN1CCSCC1 15064865 YCVCVMKNNDRDDT-NRFANRHFSA-N 434.577 3.221 0 50 IGAA N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 22048966 HBPTXDXGWDVDON-BVSLBCMMSA-N 425.554 3.302 0 50 IGAA in-vitro O=C(/C=C/c1cccnc1)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 23144771 DEAKOTSJUWQLGD-MYHFBWBUSA-N 446.595 3.458 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 76882965 FOBDFBNYWFOKPP-FQEVSTJZSA-N 430.545 3.116 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(O)cc3)C2=O)c(OC)c1 137335877 WVDKNKYAZHNKRD-RJGXRXQPSA-N 446.459 3.461 0 50 IGAA CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1 203005669 ALKJNCZNEOTEMP-UHFFFAOYSA-N 437.552 3.296 0 50 IGAA in-man CSCC[C@H](NC(=O)CCCn1c(C)cc(O)cc1=O)c1nc2ccccc2n1C 263587100 CBBRGXAFMPETEQ-SFHVURJKSA-N 428.558 3.140 0 50 IGAA C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cnc(N2CCOCC2)c(Br)c1 467430196 PCGYWCZXTLYSFK-OXQOHEQNSA-N 446.393 3.398 0 50 IGAA CN=c1ncc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)c[nH]1 1857704525 VZANOJTVKGQZLF-QFIPXVFZSA-N 437.588 3.042 0 50 IGAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 2325708145 KZHPVGBBYHFDQJ-UHFFFAOYSA-N 448.591 3.110 0 50 IGAA Cc1c(C(=O)N2CCC(c3n[nH]cc3NC(=O)OC(C)(C)C)CC2)cnc2ccnn12 2325820075 ZLUQCSWAHWJLNT-UHFFFAOYSA-N 425.493 3.128 0 50 IGAA CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1146725 ILBDIRPOJORSDP-UHFFFAOYSA-N 429.420 3.069 0 50 IGAA COc1ccc(OC)c([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)c1 2080819 XMRPVVBADBRUIO-OAQYLSRUSA-N 426.469 3.296 0 50 IGAA COc1ccc(NC(=O)CSc2nc(N)c3cc4c(nc3n2)CCCC4)c(OC)c1 2265325 ZXMMRNFSPTWYMX-UHFFFAOYSA-N 425.514 3.234 0 50 IGAA CCN1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1 11819096 QKMAYWSENUDWRE-JOCHJYFZSA-N 446.661 3.473 0 50 IGAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2cn(C)c4ccccc24)CC3)CC1 12024973 NBKRDNFJSXFZRJ-OAQYLSRUSA-N 438.572 3.081 0 50 IGAA CC(=O)c1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 12380210 RVDPCLOFTDEJQK-UHFFFAOYSA-N 425.304 3.056 0 50 IGAA COc1cccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)c1 12745038 SLVOAYANTSXUMY-DEOSSOPVSA-N 431.536 3.198 0 50 IGAA Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1F 14754241 BHBQALHJMBZNIV-IBGZPJMESA-N 428.552 3.106 0 50 IGAA O=C(NCc1ccncc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl 16527192 LUPUMDJMSCWSJT-UHFFFAOYSA-N 428.341 3.493 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)CC1 19841842 UZJBXFNISTUSCH-NRFANRHFSA-N 425.577 3.228 0 50 IGAA Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 20779051 DVSQWQKULQAMSA-UXHICEINSA-N 430.618 3.272 0 50 IGAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c1 65363893 IRSQNMMDWXWCNO-SFHVURJKSA-N 448.527 3.452 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100552503 GBHRMHTUHMCRIN-WWLNLUSPSA-N 433.460 3.270 0 50 IGAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cccc(Cl)c1 169752455 SDRSFEKDJHSKMO-UHFFFAOYSA-N 426.835 3.087 0 50 IGAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C3=C2C(=O)OC3)cc1 169757953 WERCKQBQWHLQCD-SBUREZEXSA-N 433.508 3.010 0 50 IGAA O=C(COc1ccc2cc(Br)ccc2c1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 170634327 TWWTWYGLFYBFBA-CQSZACIVSA-N 445.235 3.261 0 50 IGAA Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)c1 239338735 LCMJWXXEEMUGQV-GGPKGHCWSA-N 426.513 3.151 0 50 IGAA aggregator Cc1ccccc1-c1noc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)n1 263617017 LRXHMVJTWSUTRB-UHFFFAOYSA-N 431.427 3.201 0 50 IGAA Cn1cnnc1Sc1ccc(CN2CCC(=O)N(Cc3cccc(Cl)c3)CC2)o1 299759573 USIYQFSHEBSYKV-UHFFFAOYSA-N 431.949 3.447 0 50 IGAA CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)ccc21 328589314 BRWDDWYTBHXTOI-UHFFFAOYSA-N 432.395 3.341 0 50 IGAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 484285909 RZFAQWUTFPHTDI-QGZVFWFLSA-N 436.560 3.345 0 50 IGAA O=C(CN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1)Nc1ccc2nc(O)[nH]c2c1 756035207 RMRJQCSFBUYYEZ-FQEVSTJZSA-N 443.507 3.255 0 50 IGAA COc1cc(Cl)c(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1OC 790818358 NAPCOIDOSZBPKD-UHFFFAOYSA-N 448.722 3.167 0 50 IGAA COCCc1noc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)n1 824462322 GOVITPHGKOYJRV-CQSZACIVSA-N 436.490 3.039 0 50 IGAA O=C(NCc1csc(-c2cnccn2)n1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 827758198 UMCUSEFRRKYYTD-UHFFFAOYSA-N 441.944 3.422 0 50 IGAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2c[nH]c(=N)nc2-c2ccccc2)CC1 2356146414 FCTCYRRCLDQTEB-UHFFFAOYSA-N 430.508 3.269 0 50 IGAA O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)cc1 754582 WPTNFLHXWLUIGA-UHFFFAOYSA-N 430.372 3.136 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2C)cc1 1099387 TZFGUKROBKAAJJ-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 1129390 BQXYKQBDCYOMSQ-UHFFFAOYSA-N 446.550 3.017 0 50 IGAA COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 1154937 ILSLCIONOGMJCD-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA CC(C)CN1CCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)[C@@H](C)C1=O 11813848 XDVQHFCAMADHOD-IBGZPJMESA-N 431.540 3.245 0 50 IGAA CO[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 11816024 ZURLONQLJNWPIB-KOSHJBKYSA-N 430.520 3.183 0 50 IGAA CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cnsn1)C2 11912537 PHRCHNKTRSSKDN-UHFFFAOYSA-N 439.566 3.092 0 50 IGAA COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)COc3ccc(C)cc3)C2)cc1 12040921 TWPNMRSEQYFGST-QPPBQGQZSA-N 436.552 3.465 0 50 IGAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)Cc2nonc2C)CC1 12313927 BTXKJGMMXSISHR-UHFFFAOYSA-N 439.434 3.354 0 50 IGAA COc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 12382143 LLLNAUMSORGACA-UMSHPIDHSA-N 428.460 3.221 0 50 IGAA CC(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 12382586 BEMUBGJYCACCDD-UHFFFAOYSA-N 439.375 3.207 0 50 IGAA CC(C)n1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccncc3)C2)cn1 14542398 LAMLZSUXOFBDMF-JOCHJYFZSA-N 439.560 3.062 0 50 IGAA O=C1CN(Cc2cccc(O)c2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 14741723 BDEJUNGGDVSWQJ-RUZDIDTESA-N 431.536 3.260 0 50 IGAA CCOc1ccc(CN2C[C@@H](NC(=O)c3cc4ccccc4cc3O)C[C@H]2C(=O)OC)cc1 14960124 ATIUXIBBDNBQMW-REWPJTCUSA-N 448.519 3.490 0 50 IGAA COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 15070919 SNSBCCQUNWYOFE-LAQIPUCWSA-N 435.528 3.251 0 50 IGAA COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)N2CCOCC2)cc1 16115318 KOFZHBTUNBUBEY-XMHGGMMESA-N 445.313 3.087 0 50 IGAA Cc1c(Cl)ccc2c(C(=O)NN3CCN(C)CC3)cc(-c3ccc4c(c3)OCO4)nc12 17102829 XXWTXIRDSKXXNK-UHFFFAOYSA-N 438.915 3.485 0 50 IGAA CC(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19721055 BCYKTEHHHVSNRY-NRFANRHFSA-N 449.551 3.040 0 50 IGAA Cn1c(=O)n2n(c1=O)[C@H]1C3[C@H]2[C@H]2[C@H]1[C@@]1(c4ccccc4)C3(c3ccccc3)[C@]21c1ccccc1 216418660 SBJLQVSJKNLARL-OBPKVPJVSA-N 445.522 3.161 0 50 IGAA COCc1c(C(=O)N(C)[C@H]2CCOC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 299797339 NLSBYYCUYPYJJR-HNNXBMFYSA-N 427.530 3.015 0 50 IGAA C[C@H](CO)N1CCCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 470086325 ICABHTJUWCOFPC-LJGDZFJRSA-N 449.595 3.082 0 50 IGAA COCc1cnc(NC(=O)NCCC(=O)N(C)Cc2ccccc2Br)s1 488273131 OSRGOWAHRZZAHH-UHFFFAOYSA-N 441.351 3.222 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)[C@]2(C)CC2(Br)Br)n1 2091106 JRVAFYWVSBUKBD-NSHDSACASA-N 426.130 3.083 0 50 IGAA Cc1cc(OCn2ccc(C(=O)Nc3cnn(C)c3C(=O)NCC(C)C)n2)ccc1Cl 2729275 GYZVLVNRXSHQKS-UHFFFAOYSA-N 444.923 3.253 0 50 IGAA C[C@@H](O)c1ccc2c(c1)OCCOCCOc1cc([C@@H](C)O)ccc1OCCOCCO2 4577316 ISLLPVQOHVRQEY-QZTJIDSGSA-N 448.512 3.055 0 50 IGAA Cc1occc1-c1nnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 9289632 VCRLKQRXXXJHPA-UHFFFAOYSA-N 425.470 3.167 0 50 IGAA O=C1C[C@](CC(=O)N2CCCC[C@H]2CO)(c2ccc(-c3ccccc3)cc2)C(=O)N1C1CC1 11784240 XKNTXCXESCGMPV-WNCULLNHSA-N 446.547 3.276 0 50 IGAA O=S(=O)(Nc1ccc(N2CCC(NCCc3cnccn3)CC2)cc1)c1ccccc1 11785270 GIHINJJPYBTXDG-UHFFFAOYSA-N 437.569 3.079 0 50 IGAA CCN1C[C@H](CN(C)C(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)CC1=O 12431606 KMFSRXXAQUBWIR-AWEZNQCLSA-N 428.514 3.112 0 50 IGAA COC(=O)CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12432769 JWDJXSNMNORJRS-FQEVSTJZSA-N 426.517 3.152 0 50 IGAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cnn(-c3ccccc3)c1)CC2 14535407 BFQZXZROENCOOI-UHFFFAOYSA-N 443.551 3.344 0 50 IGAA CN(Cc1nc2ccccc2s1)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 14754466 GSTYMXWLKXOAMP-OAHLLOKOSA-N 441.626 3.208 0 50 IGAA O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(-c2ccsc2)nc1N1CCOCC1 19758886 PAYAIMHDBCUSGY-QGZVFWFLSA-N 437.521 3.217 0 50 IGAA Fc1ccccc1N1CCN([C@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)CC1 19789582 VXXOSVXNNHSAGF-DEOSSOPVSA-N 437.607 3.472 0 50 IGAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2c(F)cccc2F)CC3)c1 20212084 LCKOAJFNNINWSP-HNNXBMFYSA-N 441.482 3.114 0 50 IGAA CC(=O)c1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 23359816 GRARBKVUTQWUHX-OAQYLSRUSA-N 441.597 3.462 0 50 IGAA CCCN1CCC(N2C[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@H]2C(=O)NCC)CC1 23362815 WOFRLQKBVMQPIS-CTNGQTDRSA-N 440.554 3.248 0 50 IGAA COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100637131 NFQIKDHKJJPOFD-YHURMRGJSA-N 446.503 3.061 0 50 IGAA COc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1 169754945 YVNMFACNSSTCRF-UHFFFAOYSA-N 430.302 3.372 0 50 IGAA COc1ccc(CCCC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc1 225445855 BNPXEWRPEZWGOG-FQEVSTJZSA-N 431.330 3.480 0 50 IGAA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)N1CCOCC1 229985303 NJESEIRNEWVGCI-CTUHWIOQSA-N 439.895 3.481 0 50 IGAA CCOC[C@H](C)Oc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(C)nn2C)CC1 1857670959 JYAPZFZXEIGXQL-SFHVURJKSA-N 427.545 3.237 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(c3cccc(C)c3)CC2)C1 1857703419 LKJFMIVORYPJOG-NMVJMZGASA-N 425.617 3.313 0 50 IGAA CC[C@@H]1COC(C)(C)CN1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301866 UHVIIRMXKPTCQN-CJNGLKHVSA-N 429.439 3.290 0 50 IGAA CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(=O)n(C)c2ccc(Br)cc12 2325826552 FOPRRZKUWGFOCT-HNNXBMFYSA-N 437.334 3.493 0 50 IGAA O=C1O[C@H](C(=O)NCc2c[nH]nc2-c2cccc(F)c2)Cc2ccc(Br)cc21 2325862432 UABOYIRESKFIQN-KRWDZBQOSA-N 444.260 3.376 0 50 IGAA CCn1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c(=O)c2ccc(C)nc21 651893 SGIBOUVTSJPDAO-UHFFFAOYSA-N 444.285 3.283 0 50 IGAA CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1215045 YERULVNDORMQHU-UXHICEINSA-N 425.481 3.450 0 50 IGAA CC1(C)[C@H]2CC=C(CN3CCc4nnc(CCNC(=O)C5CCCCC5)n4CC3)[C@@H]1C2 11815395 IGPXOOYXYFAFDN-SFTDATJTSA-N 425.621 3.368 0 50 IGAA Cc1nnsc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)/C=C/c2cccs2)C1 12049684 MXYUODRHILLTRL-AATRIKPKSA-N 439.566 3.140 0 50 IGAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)Cn2nc(Cl)ccc2=O)C1 12298877 ORDDATHHRZLLTM-MRXNPFEDSA-N 429.883 3.051 0 50 IGAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2cccnc2OC)C1 12584846 MXCSFBNMBBUIAX-HXUWFJFHSA-N 440.588 3.015 0 50 IGAA COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c(OC)c1 15856085 UHFWUBIKQGHSDA-UHFFFAOYSA-N 441.547 3.404 0 50 IGAA Cc1ccc(C)c(CN[C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(C(C)C)C2)c1 20782787 WIOCUHJUEXHNEY-GOTSBHOMSA-N 437.584 3.332 0 50 IGAA Cc1nc(N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)cc(-n2ccnc2)n1 67604845 YJEONXPOJYOKRR-UHFFFAOYSA-N 445.552 3.365 0 50 IGAA O=C(O)CCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 169743907 JIXXNEUKRWLXPD-ZWOKBUDYSA-N 427.611 3.424 0 50 IGAA N#Cc1ccc(NC2CC2)c(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c1 170619886 MWHYNORIHQUACP-UHFFFAOYSA-N 436.287 3.394 0 50 IGAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 426197556 DDEFRRNYTHUBKL-MJORMVTCSA-N 448.394 3.380 0 50 IGAA C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4n[nH]c5c4CCCCC5)CC3)cc2NC1=O 476013751 RBFWNZNWRCSIFV-CQSZACIVSA-N 436.512 3.133 0 50 IGAA C[C@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc2ccccc2c1 753203956 NEPLYFPDLOBHQQ-KRWDZBQOSA-N 433.533 3.237 0 50 IGAA O=C(Nc1nnc(/C=C/c2ccco2)s1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 765352643 OVTJGNCKMPGJSH-HMOMSXHPSA-N 440.481 3.012 0 50 IGAA CC(=O)N1CCC(CC(=O)NCc2cccc(Cl)c2)(N2Cc3ccccc3C2=O)CC1 952963050 NWTIWCOOUURVMD-UHFFFAOYSA-N 439.943 3.383 0 50 IGAA COCCNc1nc2cc(C(=O)N3CCC([C@@H](O)c4cccs4)CC3)ccc2n1C 1506428564 PPRQIFPYULAGHK-HXUWFJFHSA-N 428.558 3.279 0 50 IGAA NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)O1 1875261445 CCGRKDVRNCCVRM-FGTMMUONSA-N 439.409 3.266 0 50 IGAA Cc1ccc(C(=O)N[C@@]2(C(=O)O)C[C@@H](O)C2(C)C)cc1-c1cn(CC2CCCCC2)nn1 1875353741 FGGVJLUKUMBZMW-HYBUGGRVSA-N 440.544 3.178 0 50 IGAA Cn1c(=O)c2c(nc(SCCc3ccccc3)n2CCCc2ccccc2)n(C)c1=O 637312 IAUSPDAJSINSMA-UHFFFAOYSA-N 434.565 3.401 0 50 IGAA COc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc(OC)c1OC 1071590 BVFJLVJFYWDCGE-UHFFFAOYSA-N 428.466 3.013 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1OC 1130694 QJXXPPHBQUEKHB-UHFFFAOYSA-N 433.267 3.418 0 50 IGAA CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2979403 MGRQOXDGPFSPSD-UHFFFAOYSA-N 432.498 3.406 0 50 IGAA CCOc1ccccc1N(CC(=O)NCCSCc1cccc(C)c1)S(C)(=O)=O 2992087 UBMJYBKRPDODMH-UHFFFAOYSA-N 436.599 3.209 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 8443447 HCJQPLWOMYAYDA-AWEZNQCLSA-N 445.335 3.088 0 50 IGAA Cn1c(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)nc2ccccc21 12433701 XVKRQUAXHGIJOJ-UHFFFAOYSA-N 432.524 3.283 0 50 IGAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@H](c1ccccn1)C(F)(F)F)C2 12508496 ITWVQXXQDLBJAN-BJOHPYRUSA-N 426.420 3.052 0 50 IGAA Cc1nnsc1C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12579495 SMLDRVIYHYTFQJ-JOCHJYFZSA-N 440.613 3.347 0 50 IGAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CSc3ccccc3)C2)cc1 12596013 UYAKORXILYOFJU-QGZVFWFLSA-N 434.583 3.004 0 50 IGAA COc1ccc(CNCCCOC(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1 14970170 NOGZQWDPNOBRQK-HSZRJFAPSA-N 430.589 3.472 0 50 IGAA CCn1c(C(=O)OC)c(NC(=O)[C@H]2CCOC2)c2cc(NCc3cccs3)cnc21 19838340 MXKGXJCIQXIOGF-ZDUSSCGKSA-N 428.514 3.491 0 50 IGAA CCOc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1 65365771 GFBRZRMLWDYYEM-UHFFFAOYSA-N 435.532 3.340 0 50 IGAA COc1ccnc(CN(c2ccc(Br)cc2Cl)S(C)(=O)=O)c1OC 170613201 LGPXJNCVSIHPTK-UHFFFAOYSA-N 435.727 3.481 0 50 IGAA CC(C)C[C@H](NC(=O)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(C)C)C(=O)O 252347099 VNXKVADPEPIJHY-QXAKKESOSA-N 446.548 3.469 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]3[C@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@H]24)cc1 252694123 IBWVDLQGQPPIOV-VKHNTTHASA-N 432.476 3.027 0 50 IGAA Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)cc2)c1 408518879 GYFYKBGVKFFHPH-UHFFFAOYSA-N 427.464 4.004 0 50 IGAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CC=C(c2cccc3ccccc23)CC1 437244489 MFRYLBPOZUNCKL-UHFFFAOYSA-N 434.477 3.067 0 50 IGAA Cc1ccc(C)c([C@@H]2CN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@@H](C)CO2)c1 461275192 CTDHRLBCNQNMOJ-MBSDFSHPSA-N 445.519 3.229 0 50 IGAA Cc1sc2nc(CCNC(=O)COCc3nc4cccc(C)c4[nH]3)nc(O)c2c1C 827841251 NBLLIQMIOQVQLR-UHFFFAOYSA-N 425.514 3.074 0 50 IGAA COc1cc(-c2onc(N3CCCO[C@H](CN4CCCCC4)C3)c2C(=O)O)ccc1F 1704303990 DXCFMLJAQQIKOM-MRXNPFEDSA-N 433.480 3.269 0 50 IGAA O=C([C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1)N1CCCC[C@H]1c1nncs1 1875358262 PFHVMUCMWBAKIZ-PMACEKPBSA-N 437.573 3.227 0 50 IGAA Cn1cnc2ccc(C(=O)Nc3cccc(COc4ccc5c(c4)OCO5)c3)cc2c1=O 2325821297 CHIXVAJPJCAHNE-UHFFFAOYSA-N 429.432 3.494 0 50 IGAA CN(Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1)Cc1ccc2ncccc2c1 11667691 IHZYGRSGGHYGBC-DEOSSOPVSA-N 435.568 3.063 0 50 IGAA CCOC(=O)N1CCN(c2nc(CN3CCCC[C@H]3COC)nc3c(C)cccc23)CC1 11838689 QUCHFQGNHULLCE-IBGZPJMESA-N 441.576 3.218 0 50 IGAA Cc1cc(CNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)nn1C 11874318 ZEEZCSVOWHRSJK-UHFFFAOYSA-N 430.556 3.207 0 50 IGAA Cc1occc1C(=O)Nc1cnn(CC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)c1 11912641 LTLSMNSGTVKGSH-QFIPXVFZSA-N 433.443 3.477 0 50 IGAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c(OC)c3OC)C2)cc1OC 11933069 DMUWKSJFHKHGOH-MRXNPFEDSA-N 443.496 3.465 0 50 IGAA O=C(NCCn1ccc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 11937873 BCPACKWGFMKLNQ-UHFFFAOYSA-N 428.452 3.219 0 50 IGAA CCn1cc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c(C)n1 12036228 RQJFPFXZYBZENK-PKTZIBPZSA-N 442.629 3.294 0 50 IGAA O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12202637 DYYKJQWOZXDYEK-FQEVSTJZSA-N 426.586 3.166 0 50 IGAA CC(C)c1ccc(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n2)cc1 13960009 LEPWQSQLVPIZRR-LJQANCHMSA-N 428.386 3.464 0 50 IGAA CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C2CCN(C)CC2)CC1=O 14536947 RMGAZTVNZADKNT-HXUWFJFHSA-N 443.510 3.117 0 50 IGAA O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)nn1 14975316 IAJHKDBOGYGDTQ-LJQANCHMSA-N 434.544 3.056 0 50 IGAA COC(=O)[C@@H](CNC(=O)c1csc(C(C)C)n1)Oc1ccc(Br)cc1 241774094 RNAIYCRQYALNEQ-CQSZACIVSA-N 427.320 3.379 0 50 IGAA O=C(NCc1ccc(F)cc1F)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263616117 HDYLXASIEPJISF-UHFFFAOYSA-N 425.483 3.419 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 888088230 NIIYAGOWCIKFTN-HJNYFJLDSA-N 440.588 3.396 0 50 IGAA Cc1ccc(-c2cnc([C@H]3CCCCN3C(=O)CN(C)c3ncnc4[nH]cnc34)[nH]2)cc1 2325740503 BTZPEOQWCQRRSD-GOSISDBHSA-N 430.516 3.241 0 50 IGAA O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1128360 NUGSGYLTEWRFCE-INIZCTEOSA-N 427.295 3.380 0 50 IGAA COc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)Cl)cc3)n2)cc1OC 3617225 IGOBEPFZNYRZQC-UHFFFAOYSA-N 439.806 3.164 0 50 IGAA COC(=O)c1ccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 8609421 GXLZDTRIWOFEHT-UHFFFAOYSA-N 441.484 3.342 0 50 IGAA CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(C(=O)c1ccno1)CC2 12165066 AGUCYEUSDOTOPN-RTWAWAEBSA-N 435.480 3.331 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NCCCn3cccn3)CCC(=O)N2)c2ccccc12 12167044 KRGKLUKWCNSMDN-VWLOTQADSA-N 434.540 3.223 0 50 IGAA COc1cc(/C=C/CN2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)ccc1O 14543046 MRBPTSGODBIFJF-JXMROGBWSA-N 446.551 3.419 0 50 IGAA O=C(C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)c1ccco1 15063908 MNRKNDYKBFMSPX-GOSISDBHSA-N 435.446 3.294 0 50 IGAA COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 17012239 XLOGBRLPHLSPDU-UHFFFAOYSA-N 429.952 3.400 0 50 IGAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 17070395 JBLHIKLDSMTWOU-UHFFFAOYSA-N 436.555 3.463 0 50 IGAA CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)CC1 59749673 BAIFKZJQRRQXFU-UHFFFAOYSA-N 431.562 3.250 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ncc(C(C)(C)C)o3)CC2)cc1 170600160 HUDYAFADYRHFGO-UHFFFAOYSA-N 433.574 3.183 0 50 IGAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCC[C@@H]3O)ccc2Cl)C1 240465951 GBRIIWUWTCNKIC-KYJSFNMBSA-N 428.982 3.042 0 50 IGAA C[C@@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C\c3ccc(Br)cc3)c1=O)=N2 390834948 VAMGFOPDCFDPRZ-JMWOSGIGSA-N 427.323 3.222 0 50 IGAA COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 788354159 MXRILNSLZJXRDG-TZMCWYRMSA-N 447.406 3.470 0 50 IGAA O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 1326836120 PPCDBVBXSKQOOV-IRXDYDNUSA-N 446.492 3.131 0 50 IGAA CCOc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 1473223072 KMUOPWJLSRQCHI-UHFFFAOYSA-N 433.455 3.163 0 50 IGAA O=S(=O)(c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1)N1CCOCC1 1875391237 PHOQCBBRJZVDAZ-UHFFFAOYSA-N 438.431 3.413 0 50 IGAA COc1cc2[nH]c(=NC[C@H]3CCN(C)[C@H]3c3cccc(Cl)c3)[nH]c(=N)c2cc1OC 2325731535 VQUQBEMLSAZVAA-VLIAUNLRSA-N 427.936 3.240 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1=O 2325819875 SRXJLVCVHMEPBL-CJNGLKHVSA-N 438.908 3.035 0 50 IGAA O=C(C1CCN(Cc2cccs2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 4725557 HDYXNGCKLXXSSY-UHFFFAOYSA-N 427.570 3.033 0 50 IGAA COc1ccc(OC)c(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 8683682 SNQLLEQYGQNOIK-UHFFFAOYSA-N 441.547 3.404 0 50 IGAA CN1C(=O)C[C@@](CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)(c2cccc(F)c2)C1=O 11782376 WXSBYQCFCYZNON-IVCQMTBJSA-N 449.482 3.390 0 50 IGAA O=C(C1CCCCC1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 12035696 AHHRSJRJUJYKGZ-UHFFFAOYSA-N 432.524 3.107 0 50 IGAA COC[C@@H]1CCCCN1C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12200054 WEXMHVIRYOPVHE-SFHVURJKSA-N 430.545 3.116 0 50 IGAA Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)[C@H]1CC=CCC1)C2 14980710 DGHPEASUZIMOMG-FQEVSTJZSA-N 439.581 3.251 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC 23374878 CWELYUUSTIQUIL-JOCHJYFZSA-N 428.573 3.214 0 50 IGAA COC(=O)c1nc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)sc1C 238899896 HFNDEZWFAZLWRH-SHTZXODSSA-N 440.525 3.393 0 50 IGAA Cn1c(=O)n2n(c1=O)[C@@H]1[C@H]3[C@@H]4[C@@H]2[C@H]1[C@]1(c2ccccc2)[C@@]4(c2ccccc2)[C@]31c1ccccc1 248054177 SBJLQVSJKNLARL-QRBMMJSUSA-N 445.522 3.161 0 50 IGAA Cn1cc(C(=O)NC[C@H](O)c2ccccc2F)c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 253392910 KRABVNSIYPMNNW-BEFAXECRSA-N 446.523 3.137 0 50 IGAA CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCc2ccco2)c2ccc(OC)cc2)c1O 253496616 XOGVHEHVLIPPLS-QGZVFWFLSA-N 440.452 3.110 0 50 IGAA CCN(CCN(C)C)[C@H]1CCc2c(sc3ncn(Cc4ccccc4OC)c(=O)c23)C1 299784279 JHFMCYOYGMZZDU-SFHVURJKSA-N 440.613 3.256 0 50 IGAA C[C@@]1(c2ccc(CNC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)cc2)NC(=O)NC1=O 440146563 FVKJDWZGQNUIAX-UIOOFZCWSA-N 446.551 3.321 0 50 IGAA C[C@@](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)(C(=O)O)c1cccc(Br)c1 776649892 PQGFFLSYHKZVHQ-SZNDQCEHSA-N 445.313 3.456 0 50 IGAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 952971089 WVKUXORKBNFWLP-GOSISDBHSA-N 434.496 3.455 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3cc(F)cc4c3OCOC4)CCSCC2)o1 1776111425 WBXJOVOBEYXJMG-UHFFFAOYSA-N 449.500 3.131 0 50 IGAA O=C(C[C@@H]1C[C@H]2C=C[C@H]1C2)N[C@@H](Cc1cc(I)ccc1F)C(=O)O 2325876174 MBWXLDZCRKJXBD-YWDSYVAPSA-N 443.256 3.145 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(C)c1 1112126 QVXBWGJUPAPWBX-UHFFFAOYSA-N 444.553 3.422 0 50 IGAA COCCN1C=C(C(=O)OC)C(c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1 2805640 KYOYMLXIQXZEGD-UHFFFAOYSA-N 437.492 3.425 0 50 IGAA COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(Cl)c2)c1 9158978 ZXIARIKHAWFJIS-UHFFFAOYSA-N 435.871 3.005 0 50 IGAA CN1CCC(CCNCc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)CC1 12314771 VBDXXWFJXUCULH-RUZDIDTESA-N 425.617 3.380 0 50 IGAA O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)Cc1c(F)cccc1Cl)CC2 14969202 IASRSOVSRDDPFI-SFHVURJKSA-N 429.923 3.404 0 50 IGAA CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 33989667 DRPNUICIWHCOON-HQUSFCFYSA-N 432.557 3.409 0 50 IGAA in-vitro CC[C@@H](C(=O)N[C@@H](O)C(Br)(Br)Br)c1ccccc1 71769938 LZWBNLDBCJFZAX-KOLCDFICSA-N 443.961 3.453 0 50 IGAA CCn1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)c(C(=O)NC2CCCC2)n1 225695633 GWOLHPRCLHZMIN-LNMJFAINSA-N 428.533 3.207 0 50 IGAA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCCN21 248343101 ZNIAEOAOTYSHDY-XMODTWTHSA-N 435.911 3.388 0 50 IGAA O=C(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 481519925 PEJIJRSBKTZFQJ-NRFANRHFSA-N 435.524 3.208 0 50 IGAA CCCC(=O)Nc1ccc(C)c(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)cc2)c1 952992129 ZEOFILRSLKFBBR-QFIPXVFZSA-N 436.556 3.371 0 50 IGAA O=CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(CO)(c2ccccc2)CC1 1875257730 DBWDAOMPVNZRLT-FQEVSTJZSA-N 435.351 3.203 0 50 IGAA COc1cccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c1 2753084 WUDZIRJVQZARIF-UHFFFAOYSA-N 447.516 3.488 0 50 IGAA Cc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)cc1OCC(=O)Nc1nncs1 2868661 BPFRGYGBVQPCEH-UHFFFAOYSA-N 444.966 3.128 0 50 IGAA Cc1cc(C)cc(N(CC(=O)NC[C@H](O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 4019019 OIOBYFMUFLYXMW-QHCPKHFHSA-N 438.549 3.349 0 50 IGAA O=c1/c(=C/c2ccc(I)cc2)sc2nc(-c3cccs3)nn12 8433310 MAAZZFUHJBFKIE-WQLSENKSSA-N 437.287 3.032 0 50 IGAA C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 12024210 IWTNHUQIBCFQIG-CQSZACIVSA-N 429.446 3.245 0 50 IGAA Cc1nonc1CNC1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 12242823 HFWCCWKGVODQOC-UHFFFAOYSA-N 431.540 3.335 0 50 IGAA COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)CN1CCSCC1 12458585 WMFHMCORGWAOTA-OAQYLSRUSA-N 428.598 3.263 0 50 IGAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2 14539921 WZADCTULPKGAPX-XDJHFCHBSA-N 438.528 3.023 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2CCc2ccc(O)cc2)n1CCOC 15062448 COSDOZCGKXVFAQ-IBGZPJMESA-N 435.590 3.016 0 50 IGAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cnc(N3CCOCC3)s2)CC1 19229482 KZNZHQIXNMMFMZ-UHFFFAOYSA-N 429.586 3.368 0 50 IGAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCNC(=O)c1nc(C2CCCCC2)no1 20352651 XSPMUPNNNWTQEK-CQSZACIVSA-N 434.924 3.393 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)CC1 20538750 FTMWWCLVAOJTSB-VWLOTQADSA-N 440.632 3.383 0 50 IGAA O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cncc(F)c2)CC1 225502251 USEHZZRQJFLIHQ-QHCPKHFHSA-N 432.499 3.036 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cccc(F)c3)CC2)cc1)N1CCC[C@@H](CO)C1 299755335 HQZSSQBZBBZALV-OAQYLSRUSA-N 439.575 3.471 0 50 IGAA O=S(=O)(N1CCCCC1)N1CCCN(C2CCN(c3cccc(Cl)c3)CC2)CC1 952975523 KLVUHHVYPSOCGT-UHFFFAOYSA-N 441.041 3.047 0 50 IGAA C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CNc1ccc(C(N)=O)cc1)OCCO3 1875257379 NXFNYPPVMXWITN-INIZCTEOSA-N 435.524 3.384 0 50 IGAA O=C(Cc1ccccc1)NC1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)CC1 1875260009 NGBQHYHFIRUOES-UHFFFAOYSA-N 447.539 3.317 0 50 IGAA CC(C)[C@H](C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1)N1CCCCC1 2332238367 OTLUTDGPTDRBRE-HBJGLNSASA-N 449.661 3.016 0 50 IGAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 810378 BFNFMJDMWNUACU-UHFFFAOYSA-N 435.505 3.223 0 50 IGAA Cc1ccc(Cn2ccc(NC(=O)c3ccn(Cn4cc(Br)cn4)n3)n2)cc1 2784648 FYCZCSCFDBETKF-UHFFFAOYSA-N 440.305 3.153 0 50 IGAA Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccccn1 9426724 ZOZYEOAQXKYKMW-UHFFFAOYSA-N 429.473 3.025 0 50 IGAA O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCc1ccco1 9473069 YFUWNWFMZBDQKE-UHFFFAOYSA-N 440.569 3.274 0 50 IGAA CC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccc(F)cc4Cl)nn3)CC2)cc1 11821793 VPPRTEHQKSUIFS-UHFFFAOYSA-N 441.894 3.284 0 50 IGAA COCC(=O)Nc1cnn(-c2ccc(C(=O)N[C@H](C)c3cnn(-c4ccccc4)c3)cc2)c1 12457484 SZHHERNVUYCIFZ-QGZVFWFLSA-N 444.495 3.134 0 50 IGAA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)C1 13949252 JWQFVHYTQHSGEP-KBPBESRZSA-N 444.525 3.432 0 50 IGAA Cc1cc(-c2cc3c(n(Cc4cccnc4)c2=O)CCN(C(=O)[C@H]2CCOC2)C3)ccc1F 14749483 YKXIFFXMPLPXKZ-FQEVSTJZSA-N 447.510 3.327 0 50 IGAA CCOC(=O)[C@H]1CCCN(C(=O)c2c(CC)n(Cc3ccccc3OC)c(C)cc2=O)C1 14955209 VOGCYVDVJXAJDB-IBGZPJMESA-N 440.540 3.191 0 50 IGAA COC(=O)[C@H]1CCCCN1Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 55168934 BXXRUPBIULXTSD-HXUWFJFHSA-N 433.574 3.041 0 50 IGAA CCOC(=O)CC[C@@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 170620154 QIXQOYVIDWYVFY-DEOSSOPVSA-N 430.464 3.109 0 50 IGAA O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1ccccc1 239339135 LSZSGCWNNKJEJT-ZNHHMURHSA-N 427.456 3.284 0 50 IGAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 240465940 GBPLDBPHLYYSBS-WDYCEAGBSA-N 435.540 3.342 0 50 IGAA CCc1c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)cc(C)n1CCN1CCCCC1 299790598 BMCPPIBNMBIUAW-UHFFFAOYSA-N 441.572 3.152 0 50 IGAA COCCN(Cc1ccc2c(c1)OCO2)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 303456514 KCCUGBPPMWZRMW-UHFFFAOYSA-N 435.406 3.058 0 50 IGAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(=N)O)ccc3N3CCCCC3)ccc21 328592951 DTSCYBBFPCZSEW-UHFFFAOYSA-N 442.541 3.270 0 50 IGAA CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 481638704 ITBHMQNCTCRYQG-OAHLLOKOSA-N 446.960 3.080 0 50 IGAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 730019363 ROJDVFULBGDMGR-IBGZPJMESA-N 433.959 3.397 0 50 IGAA COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3N3C(=O)N[C@@H](C)C3=O)n2)cc1 952968067 JNEFVKVKXZDOIT-AWEZNQCLSA-N 449.467 3.151 0 50 IGAA Cc1cc(Br)ccc1NCC(=O)N[C@@H](CO)[C@@H](O)c1ccc(Cl)cc1 2325861477 RHHYKTDFBPSKTN-WMZOPIPTSA-N 427.726 3.034 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 1109959 LISFLEHJHDEQHC-UHFFFAOYSA-N 430.526 3.380 0 50 IGAA CCOC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1C1(C(=O)OC)CCCC1 1136959 HAUHDNOLRMMLSN-GJZGRUSLSA-N 425.275 3.364 0 50 IGAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)cc1 1883345 JDLNLTCTMGSZII-FBHQFGEZSA-N 448.544 3.195 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Cl)c(C(F)(F)F)nn1C)CCC3 2776863 GEPCDCNHCNSQTO-UHFFFAOYSA-N 431.827 3.045 0 50 IGAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 11664400 OGDVFRYUNOWBLM-UHFFFAOYSA-N 439.434 3.465 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCCN2CCCCC2=O)C1 14977458 KZKZRCGKZORAHQ-DEOSSOPVSA-N 432.536 3.333 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccsc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 15008600 YHVNSYXWFPVLKW-XXBNENTESA-N 446.617 3.175 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1cccc(-n2cccn2)c1 299767770 OCGWUHKRXXZOSY-HSZRJFAPSA-N 431.540 3.211 0 50 IGAA CCCCn1c(=O)nc(O)c2c1nc(CN1CCC[C@@H]1CC(=O)c1cccs1)n2CC 468285073 CEIBIWMKKCWNJK-OAHLLOKOSA-N 443.573 3.418 0 50 IGAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 488892996 HBOCMXCPKLPCPK-CQSZACIVSA-N 438.454 3.003 0 50 IGAA Cc1cnn(C2CCCC2)c1NC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 1529172433 LXAKXHGSYHOOFH-GOSISDBHSA-N 425.533 3.234 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@]3(CC2)CN(C)C(=O)O3)ccc1F 1704316138 WTHCADDMJNGMBM-QFIPXVFZSA-N 446.479 3.002 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nc(C(C)C)cs2)C1 1857704418 RAENEXDIFNSPEU-JXALWOEJSA-N 448.677 3.138 0 50 IGAA CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)Nc2nc3c(s2)Cc2ccccc2-3)C1 1875263123 UURVOUQINFWCMZ-UKRRQHHQSA-N 442.541 3.026 0 50 IGAA COC(=O)[C@@H]1c2ccccc2C2(CC2)CN1C(=O)c1[nH]c2c(OC)cccc2c(=O)c1C 1875342957 AZJCLLYXYUCOEI-NRFANRHFSA-N 432.476 3.247 0 50 IGAA CS(=O)(=O)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1875390408 QTYZSJNCACFZTA-UHFFFAOYSA-N 441.353 3.088 0 50 IGAA Cc1cc(C(=O)Nc2ccc3c(c2)C[C@H](O)C3)cc(C(=O)Nc2ccc3c(c2)C[C@H](O)C3)c1 2325743990 ZIBDOURWJKAGKK-JWQCQUIFSA-N 442.515 3.419 0 50 IGAA CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 780447 NMWIWYNLKNLMAD-UHFFFAOYSA-N 432.542 3.306 0 50 IGAA COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1Br 955877 DQHNFGMWTPJUMX-QGZVFWFLSA-N 441.289 3.372 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2Cl)cc1 1134447 DJMKJWQVZPMILY-SFHVURJKSA-N 436.961 3.135 0 50 IGAA O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 2556585 RNFLNNQAFRFTFE-QHCPKHFHSA-N 444.487 3.337 0 50 IGAA in-vitro O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1Br 5942094 GLHSVBHNNCSJNU-CYBMUJFWSA-N 429.270 3.476 0 50 IGAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NC1CCN(Cc3ccccc3)CC1)C2 14531262 KZTNRZVHUFYYOV-QFIPXVFZSA-N 435.616 3.251 0 50 IGAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccs1)CC2 14534851 RFKJJGPQUBNUJM-UHFFFAOYSA-N 443.569 3.202 0 50 IGAA COc1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 16361067 QJIOGFIWGRFQOI-UHFFFAOYSA-N 449.598 3.017 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(s/c(=C/c3ccccc3)c2=O)=N1 16700403 KGFJSDLCACNZER-YWFITGJYSA-N 438.574 3.496 0 50 IGAA Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1 20782858 JXEOTBPZPSZBJN-QHCPKHFHSA-N 432.572 3.475 0 50 IGAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 170594683 BHWNNHXXQJCHSI-GCJKJVERSA-N 427.570 3.408 0 50 IGAA CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)c1nc2ccccc2[nH]1 206242083 CGDOKFAPPCBMNJ-RNODOKPDSA-N 434.475 3.445 0 50 IGAA O=C(NCc1ccc(F)cc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263617321 NEIIDZJEPISSDY-INIZCTEOSA-N 425.483 3.419 0 50 IGAA COc1ccccc1/C=C(/C(=O)N1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 778326734 QRTJHFBNQKJYDT-DYCNOPEISA-N 436.552 3.186 0 50 IGAA O=C1N[C@@H](CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C(=O)Nc2ccccc21 828320663 YPTFQMTUNGLPCY-KDOFPFPSSA-N 434.521 3.143 0 50 IGAA biogenic O=C(CCc1cn[nH]c1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857703341 ZWULDLCWIINIIT-JOCHJYFZSA-N 438.572 3.357 0 50 IGAA O=C(N[C@@H]1CCCc2cnccc21)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 2325876269 OXXAYEINFAOTNM-FGZHOGPDSA-N 439.512 3.434 0 50 IGAA COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3cccnc3)C(=O)[C@H]12 842038 YFQQDGIOGNNYHE-YKUCYRFJSA-N 440.499 3.247 0 50 IGAA CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl 1787047 TZKGOHHWPJOSJK-ZDUSSCGKSA-N 426.753 3.372 0 50 IGAA Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC(=O)O)ccc12 2575517 OTPFOMJAYSBYOD-IBGZPJMESA-N 436.464 3.022 0 50 IGAA Cc1cccc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@H]4CCCO4)C3=O)CC2)c1 11913625 NFOVGRGHQRCQEM-GJZUVCINSA-N 448.567 3.228 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 12160696 WLNIKLNMKWGVOT-YADARESESA-N 427.545 3.117 0 50 IGAA CCN(CC)C(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 12201688 OBGHXFHZZOFYIM-LJQANCHMSA-N 431.577 3.352 0 50 IGAA O=CN1CCCN(C(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)CC1 12315110 HCXKNXQYJZHCHH-UHFFFAOYSA-N 433.980 3.430 0 50 IGAA O=C(C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1)c1ccco1 12429540 PSXINAGKSNTSOR-HSZRJFAPSA-N 436.552 3.349 0 50 IGAA COCCOC1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 12437423 HCYQBDASUMISEJ-UHFFFAOYSA-N 434.577 3.214 0 50 IGAA CCOC(=O)N1CCC(N2CCCN(c3nc(C)c4cc(OCC)ccc4n3)CC2)CC1 12451677 GKTPKMCIQHHTKD-UHFFFAOYSA-N 441.576 3.470 0 50 IGAA O[C@H](COc1ccc(-c2ccc(OC[C@H](O)CN3CCCC3)cc2)cc1)CN1CCCC1 13425555 VZXZHBUESVWXPP-PSWAGMNNSA-N 440.584 3.025 0 50 IGAA CC1=NN(C(=O)COc2cc(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@](O)(C(F)F)C1 13959749 KWVFXXZSRABUNA-KRWDZBQOSA-N 432.349 3.140 0 50 IGAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C2Cc4ccccc4C2)C3)cc1 14543242 XQHDBIGATGVQQU-UHFFFAOYSA-N 444.579 3.362 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1 14981179 WWYGOZMIKJPFNH-UHFFFAOYSA-N 440.548 3.185 0 50 IGAA CCOC(=O)[C@H]1CCCN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)C1 20534178 WKNFYGUGTMTJEM-FQEVSTJZSA-N 434.540 3.382 0 50 IGAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67612328 BVPXQHWSNGBBFO-UHFFFAOYSA-N 449.902 3.242 0 50 IGAA O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 101960901 AZVWOTWGCYDHKK-MBZVMHRFSA-N 440.908 3.449 0 50 IGAA CC(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)CC1 169755678 BJTRHMHNQNNOJH-LJQANCHMSA-N 429.952 3.074 0 50 IGAA O=C(c1ccc2ncccc2c1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593337 AJEQXXUAVAXSBG-DEOSSOPVSA-N 428.536 3.184 0 50 IGAA COc1ccc(CN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)[C@@H]2CCS(=O)(=O)C2)cc1 225394978 OLDMDSVNBSUCDP-QGZVFWFLSA-N 430.501 3.454 0 50 IGAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)CC1 238900545 JLAIWEISRLXEKT-VVPTUSLJSA-N 425.529 3.210 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239439981 ZZTQHWCRWRIIJJ-HIMMBKLNSA-N 429.314 3.138 0 50 IGAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCN2C[C@H]3CC[C@H]2C3)CC1 247791718 OTFOCALPPAEXNE-GMAHTHKFSA-N 449.599 3.492 0 50 IGAA COc1ccccc1N1CC[C@H](NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1=O 465267301 SRFZLALSNANMAJ-INIZCTEOSA-N 444.413 3.435 0 50 IGAA CCCc1ccc(N2C[C@@H](c3nc(CC(=O)NCc4ccc(OC)cc4)no3)CC2=O)cc1 771164277 XCGWTXQEBAWQJC-IBGZPJMESA-N 448.523 3.410 0 50 IGAA C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782735153 CGWXCIGLSXMNHY-ZBEGNZNMSA-N 434.411 3.329 0 50 IGAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)C1 1857706908 BDDWNDLVUAURRD-MRXNPFEDSA-N 425.554 3.030 0 50 IGAA O=S(=O)(Nc1cccnc1)c1ccc(NS(=O)(=O)c2ccsc2Cl)cc1 1875317139 OWFIRPZXBLAVSE-UHFFFAOYSA-N 429.932 3.398 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O 2325819668 MLNYUHDOCVBFHP-OBTMHIKCSA-N 446.491 3.163 0 50 IGAA Cc1cc(Br)ccc1CS(=O)(=O)NC[C@@H](C(=O)O)c1ccc(F)cc1 2325876811 BRTAJCPWOAMCCR-MRXNPFEDSA-N 430.295 3.184 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3CS[C@H](c4cc(OC)c(OC)c(OC)c4)N3C2=S)cc1 9892255 DSOSBTOLLPMFES-MGPUTAFESA-N 446.550 3.469 0 50 IGAA Cc1cccc(C(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)N(CCN(C)C)C3=O)CC2)c1 12034741 IJZJKDQMWKZDFB-RUZDIDTESA-N 442.604 3.136 0 50 IGAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCSCC3)cnc2n1C[C@@H]1CCCO1 14532841 IPVDIRVXONEPFF-INIZCTEOSA-N 432.546 3.268 0 50 IGAA COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(CC3CCCCC3)CC2)C1=O 14533152 MMZDNZHVQLICMO-UHFFFAOYSA-N 441.572 3.081 0 50 IGAA O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3cccnc3)CC2)N1Cc1ccccc1 14732740 AZIFQEIDBJZOHF-UHFFFAOYSA-N 441.535 3.476 0 50 IGAA COc1ccc(C2(C(=O)Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3)CCOCC2)cc1 16286615 UADGHVFQTZSOJA-JOCHJYFZSA-N 438.524 3.291 0 50 IGAA CCN(CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)C1 19609052 NVTVDQKCYJMZBD-IBGZPJMESA-N 436.597 3.169 0 50 IGAA O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO1)NC1CCCCC1 19641426 OKZANNDOWOJIKP-QGZVFWFLSA-N 444.557 3.394 0 50 IGAA Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1 20353551 ASIDBENHQFCSDO-UHFFFAOYSA-N 434.883 3.456 0 50 IGAA Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 20915693 FBNXMSLBYLIFBC-XMMPIXPASA-N 449.595 3.465 0 50 IGAA CCN1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CC1 20997450 GGMZSXFXRHADJF-UHFFFAOYSA-N 437.975 3.324 0 50 IGAA Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 22340329 VWMCXNLFGMSBCB-UHFFFAOYSA-N 431.491 3.327 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 55089542 BWICVVYDJKFJDL-HXUWFJFHSA-N 426.561 3.046 0 50 IGAA O=C(N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)C1(O)CCCC1 72145298 DMMDTKRZQIAOIL-LJQANCHMSA-N 425.495 3.124 0 50 IGAA CC(C)[C@H](C(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 248340582 VAQARYNIEZMZRC-YNSGVOSJSA-N 440.540 3.278 0 50 IGAA O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263617322 NEIIDZJEPISSDY-MRXNPFEDSA-N 425.483 3.419 0 50 IGAA O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 427648104 OHJGOXZIKUTFHJ-QFIPXVFZSA-N 444.535 3.152 0 50 IGAA Cc1nc(C(C)C)nc(O)c1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 747217281 BAZFGTOIPGJYCN-UHFFFAOYSA-N 434.500 3.261 0 50 IGAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc4c(c3)CCC(=O)N4C)C2)cc1 775922214 SLWKOJJBAYEKAG-FQEVSTJZSA-N 441.597 3.095 0 50 IGAA CC(C)n1c([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886024554 AATHGXKEJZESCG-TZIWHRDSSA-N 445.523 3.422 0 50 IGAA COc1ccc2cc1OCCCCN(CC(C)C)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704323769 UHFJXRZYKIEMCC-BHIFYINESA-N 429.605 3.467 0 50 IGAA COc1csc(C(=O)NCc2cnn3c2CN(c2ccc(C(F)(F)F)cn2)CC3)c1 1775997283 DUVZMEHLLYHJLS-UHFFFAOYSA-N 437.447 3.317 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccncc3)CCN(Cc3ccccc3)CC2)o1 1776111747 OGHJSSBNCJQOIE-UHFFFAOYSA-N 447.535 3.289 0 50 IGAA Cc1cc(C(=O)N2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)nn1C 1857702225 FNWBLVGDBGQIER-OAQYLSRUSA-N 438.572 3.357 0 50 IGAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@@]2(=O)CCCN(C(=O)OC(C)(C)C)CC2)cc1 1875373611 IBOXEVUMJAUEKH-SSEXGKCCSA-N 435.546 3.084 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@H]1c1cccs1 1207612 CACOFQDRRSAHIY-MJSCBBHESA-N 430.576 3.230 0 50 IGAA CC[C@H](c1nc2ccccc2c(=O)n1CCCn1ccnc1)N1C(=O)c2ccccc2C1=O 2340982 KTYZROKVOSNJLP-OAQYLSRUSA-N 441.491 3.431 0 50 IGAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCCC4=O)c3n2)cc1 2770385 MKJOCSQSKYMWMT-UHFFFAOYSA-N 427.455 3.385 0 50 IGAA CCn1cc(Cn2cc(NC(=O)CCS(=O)(=O)c3ccc4ccccc4c3)cn2)cn1 2809357 QUGLZDQXTDERLV-UHFFFAOYSA-N 437.525 3.104 0 50 IGAA CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cc1 2868699 MQXXPRKMVCZAIJ-UHFFFAOYSA-N 430.460 3.349 0 50 IGAA O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)/C=C/c1cc(F)cc(F)c1)CC2 11913280 IRKZJRFLBJPZIS-FNEOHHHZSA-N 425.479 3.361 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1)N1CCN(c2ccccn2)CC1 12430086 QJLINNAPJPSQSY-GOSISDBHSA-N 442.510 3.341 0 50 IGAA O=C1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H](OCC2CC2)CN1Cc1cccnc1 14530404 PERAJMXILKXUPP-QHCPKHFHSA-N 431.540 3.111 0 50 IGAA O=C1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H](OCC2CC2)CN1Cc1cccnc1 14741667 YIUGODLLWGIDTL-QHCPKHFHSA-N 449.530 3.250 0 50 IGAA COCCN1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1 14968829 IWKQMYDMRFLSHO-KRWDZBQOSA-N 431.046 3.202 0 50 IGAA CCOC(=O)CCNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 14988840 HAFVJGTYHUYBSB-UHFFFAOYSA-N 425.514 3.260 0 50 IGAA COC(=O)CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 20294636 TXFJUKMWZJJAOP-AZUAARDMSA-N 427.511 3.097 0 50 IGAA COc1ccc2ccccc2c1CN1C[C@@H](n2cnnn2)C[C@H]1C(=O)N1CCCCCC1 64137209 MZGDUTICXSGMKQ-UGKGYDQZSA-N 434.544 3.053 0 50 IGAA CCNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 100578103 AHFRUIGGNIFVPP-HXUWFJFHSA-N 441.553 3.122 0 50 IGAA O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC1(C(=O)O)CCOCC1 431875973 RRKRGQNUNVGIFR-LJQANCHMSA-N 444.915 3.199 0 50 IGAA COCCS(=O)(=O)Cc1cccc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)c1 1875257935 XDILLVOUCPYQOU-QFIPXVFZSA-N 442.537 3.256 0 50 IGAA Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@@]3(C(N)=O)CCOc4ccccc43)c12 2325748743 CKNTUKNIBYMRLB-DEOSSOPVSA-N 446.438 3.230 0 50 IGAA CC(=O)Oc1cccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)c1 2533442 QLDGDLMCFOVESF-MHWRWJLKSA-N 442.294 3.054 0 50 IGAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3n2)cc1 6240014 KDVBQXNQIMMYBR-UHFFFAOYSA-N 444.417 3.440 0 50 IGAA CCCN(CC1CC1)C(=O)[C@@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 11839982 PCHNNVZAVQYEFW-GOSISDBHSA-N 444.601 3.207 0 50 IGAA COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(OC)cc3OC)CC2)c1 12454388 XFMHOMIJRISIPR-UHFFFAOYSA-N 428.529 3.123 0 50 IGAA COc1cc(CN2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc(OC)c1 12509499 DGGFRAUEOWUJCT-HXUWFJFHSA-N 425.529 3.042 0 50 IGAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1ccc(OC)cc1)CC2 14535636 XDFDDJRGIZJZLE-UHFFFAOYSA-N 434.540 3.257 0 50 IGAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1(c3ccccc3)CCOCC1)C2 14535971 XCZQBBAVOKMJJF-NRFANRHFSA-N 436.600 3.334 0 50 IGAA Cc1c(CN2CCC3(CC2)C[C@H]3C(=O)NCC2(c3ccccc3)CCOCC2)cnn1C 14885483 JXFNLLFJSOTLEF-QHCPKHFHSA-N 436.600 3.195 0 50 IGAA O=C(COc1ccc(F)cc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 16605034 CWQTZHYWNOHETR-UHFFFAOYSA-N 425.438 3.240 0 50 IGAA Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 20779047 DVSQWQKULQAMSA-WOJBJXKFSA-N 430.618 3.272 0 50 IGAA O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(N2CCCNC2=O)c1 241634644 PNZPNCXEFMPOMM-UHFFFAOYSA-N 442.535 3.407 0 50 IGAA C[C@H]1CN(CCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CCO1 252585704 KJXBJKQQVTUNNF-DLBZAZTESA-N 427.574 3.418 0 50 IGAA CCOC(=O)C(C)(C)c1csc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2C)n1 253427332 RDXYQTVJKHDGFI-UHFFFAOYSA-N 431.493 3.323 0 50 IGAA COC(=O)c1cn(CCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)cc2c(=O)[nH]nc1-2 263588073 OTAMKHKYVQTWLH-UHFFFAOYSA-N 434.374 3.394 0 50 IGAA Cc1cc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)ccc1F 435125917 HTKCEVKJUCONKG-QGZVFWFLSA-N 448.564 3.343 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 886025647 PSQROBAOCYRKDI-LEWJYISDSA-N 446.507 3.201 0 50 IGAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)n1 1857798827 CFROBDNROIISHI-HNNXBMFYSA-N 446.916 3.462 0 50 IGAA COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3c(C)n[nH]c3C)c3ccccc32)cc1OC 1120550 AUFPNAAGWWMQPX-XMMPIXPASA-N 435.480 3.051 0 50 IGAA CCOC(=O)c1sc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1C 6162766 TXRUCBFCQRXTQF-UHFFFAOYSA-N 440.525 3.227 0 50 IGAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nn2)n1 11697268 ZRYVENQRVCLSDQ-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA O=C1CN(C(=O)c2cccnc2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14542342 MQMFMHNGKZRQBD-DEOSSOPVSA-N 447.510 3.333 0 50 IGAA O=C(CCc1ccco1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C2CCCCC2)CC1 14970966 JMGCPBQQOHJIHQ-QFIPXVFZSA-N 427.589 3.318 0 50 IGAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1cccc(Cl)c1 14981627 MGNIUSBINNOSMU-FPOVZHCZSA-N 438.915 3.072 0 50 IGAA CCCN1CCC(N2C[C@@H](NCc3ccc(OC)c4ccccc34)C[C@H]2C(=O)NC)CC1 23362982 MCWCAZHTLYQNEH-RDPSFJRHSA-N 438.616 3.001 0 50 IGAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC5CCCC5)CC4)c3CO2)cc1 169774493 XTYJWRRZNBBPAQ-JOCHJYFZSA-N 436.556 3.374 0 50 IGAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O 207900372 QQWIQRRKEOUHOX-DHIUTWEWSA-N 447.535 3.439 0 50 IGAA O=C1N[C@@H](CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)Nc2ccccc21 253396304 AYYMTGAFTISLNA-FQEVSTJZSA-N 436.899 3.237 0 50 IGAA biogenic COc1cc(Br)c(S(=O)(=O)NC(=O)c2sccc2Cl)cc1OC 253417395 XNYHWOILIMSYNG-UHFFFAOYSA-N 440.724 3.300 0 50 IGAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cnc3c(c2)CCCC3)N1Cc1ccccc1-n1cccn1 1857702814 DFBNKDXPVVNBHD-ZEQRLZLVSA-N 441.535 3.162 0 50 IGAA C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cnc(-c3cnccn3)s2)C1 1875256905 SMZMNTXHIQPFCS-HZPDHXFCSA-N 429.546 3.463 0 50 IGAA NS(=O)(=O)c1ccc(C(=O)Nc2c[nH]c3cc(Br)ccc23)cc1Cl 1875321873 ZHZNSIAEBQVCPG-UHFFFAOYSA-N 428.695 3.484 0 50 IGAA CCOc1cccc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 1133913 SEYZOJMTMGGUQW-UHFFFAOYSA-N 427.267 3.212 0 50 IGAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)cc1 1195883 SKCBYQCCNWGKRK-PGAZUGQPSA-N 439.467 3.155 0 50 IGAA C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 11871156 ZIDZETYQLSMMGV-CYBMUJFWSA-N 447.436 3.384 0 50 IGAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3csc(C)n3)C2)c(OC)c1 12315804 YQGQGFKCYCJTON-MRXNPFEDSA-N 431.558 3.418 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1 12364397 JQTXQZRREKHINI-NRFANRHFSA-N 446.525 3.461 0 50 IGAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NCc1ccccc1C(F)(F)F)C2 14542679 UJRLYXWZCVBELP-QGZVFWFLSA-N 443.473 3.411 0 50 IGAA O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21)Nc1cccc(F)c1 18162398 SVLNVZSARGZAOQ-JKSUJKDBSA-N 436.230 3.064 0 50 IGAA CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 170602415 ULHQVSNSHKJCDR-UHFFFAOYSA-N 437.931 3.442 0 50 IGAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CC[C@@]3(C2)OCc2ccccc23)C1 474451591 ZBTRMCODYJLVBS-CJAUYULYSA-N 430.508 3.073 0 50 IGAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3nc(-c4ccccc4)no3)ccc21 670472343 ZLAGYOQVUJKRCO-CQSZACIVSA-N 426.498 3.075 0 50 IGAA O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765615708 DARSGFSJRZQVDQ-SFHVURJKSA-N 434.414 3.305 0 50 IGAA COc1ccccc1[C@H](CNC(=O)[C@@](C)(O)C1CCC1)NC(=O)[C@H](F)c1ccc(F)cc1 1875344444 LAOGAQJLOXBGPV-LEEZEASISA-N 446.494 3.370 0 50 IGAA COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O 1165493 VZLCNECVCOVCLL-LJQANCHMSA-N 432.498 3.222 0 50 IGAA CN(C)CCCNC(=O)c1ccc(COc2ccc(I)cc2)o1 2781763 JRGKKCOJLODLSN-UHFFFAOYSA-N 428.270 3.145 0 50 IGAA Cc1cccc(CSCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 2988150 FRYODTVPCNVWEU-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1Br 6148196 NGTBOWMMDMSOTI-UHFFFAOYSA-N 425.348 3.277 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)CC(F)(F)F)C1 12302302 JVPHUJCGJMZUPR-INIZCTEOSA-N 429.407 3.045 0 50 IGAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cncs2)CC1)c1ccccc1 12579360 XDJWPCCUSKWBOM-IBGZPJMESA-N 425.514 3.143 0 50 IGAA NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 12754049 KTDSTSAGQOOCJM-QFIPXVFZSA-N 435.568 3.110 0 50 IGAA CCN(CC)C[C@@H](O)COc1ccc(CNCc2c(OC)cccc2OC)cc1OC 14976256 VCHQTZNEARYUDF-LJQANCHMSA-N 432.561 3.084 0 50 IGAA COCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)COc2ccccc2)CC1 14987018 WJWBXSYYRRYFNO-HSZRJFAPSA-N 442.531 3.159 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NC1C2CC3CC(C2)CC1C3 15062532 GQVPTBAAMKFIDU-OHUSKATMSA-N 431.580 3.471 0 50 IGAA COc1cccc(CCC(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778651 ANOMOYXUXWJFND-IBGZPJMESA-N 444.495 3.410 0 50 IGAA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2cccnc2)cs1 170625592 KDVGEMIJIKCXPY-HNNXBMFYSA-N 441.900 3.308 0 50 IGAA COc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)cc1 239174332 PTYLHMPCXAJLKJ-PYSZQBSGSA-N 444.487 3.479 0 50 IGAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1C 245311367 ODGLKQQJSRDQJP-UECWXEIQSA-N 435.911 3.388 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OC 1529185725 PNYARVVIKIOLJQ-NHCUHLMSSA-N 430.888 3.413 0 50 IGAA CC[C@]1(C(=O)NCCc2nc(O)c3c(C)c(C)sc3n2)C[C@H]2CC[C@@H]1N2C(=O)C(C)C 1704313136 GNZRFDQCQSFEIU-SYJLOODJSA-N 444.601 3.488 0 50 IGAA CC[C@H](C)[C@H](NC(=O)Cc1c(-c2ccc(OC)cc2)oc2cc3c(cc12)OCO3)C(N)=O 1857526760 XCZULQGYLWMYOO-XMHCIUCPSA-N 438.480 3.396 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cc(Cl)cc(Cl)c1 2990062 XPRBPIZWCZAQPY-UHFFFAOYSA-N 437.370 3.402 0 50 IGAA O=CN1CCCN(C(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 12185210 CCZCLVVQRQBUAY-AREMUKBSSA-N 433.552 3.016 0 50 IGAA COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2ccncc2)CC3)cc1 14747165 FAWVCVHEJNBMCV-UHFFFAOYSA-N 436.556 3.340 0 50 IGAA O=C(c1ccoc1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 15007216 XYGOAFXIHKEWNC-ILHLOOHCSA-N 433.552 3.380 0 50 IGAA COC(=O)c1ccsc1NC(=O)CSc1nnc(COc2ccc(F)cc2)n1C 17100141 JCMKOFHFERJQRB-UHFFFAOYSA-N 436.490 3.112 0 50 IGAA Cc1c(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@H]4CCCO4)c3n2)cnn1C 20615180 RSIOOJAHCGZMDO-SNVBAGLBSA-N 425.436 3.361 0 50 IGAA COC(=O)c1ccc(-c2nc(CN3CCN(Cc4ccc(OC)cc4)C(=O)C3)c(C)o2)cc1 55037058 SQVPHDOOJGZZHP-UHFFFAOYSA-N 449.507 3.290 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CCC(=O)N2)cc1OC 104303107 ZAVCWBWDBWKTHN-OZAHESQGSA-N 438.568 3.394 0 50 IGAA CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1=O 104378055 GRMJTFIOPFGVEA-TXTKFYIRSA-N 445.563 3.173 0 50 IGAA CC(=O)N1CCN(C(=O)CN(CC(C)C)C(C)(C)c2ccc(Br)cc2)CC1 170601222 FIHIJDKSHDXGCA-UHFFFAOYSA-N 438.410 3.333 0 50 IGAA COc1cc(C[C@@]2(CCC(=O)NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CCC(=O)N2)ccc1F 215910026 NJNORIOEKFEVFN-JTMURSBZSA-N 444.547 3.006 0 50 IGAA CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 225758898 MEPXIYVHUFAFNY-QFIPXVFZSA-N 441.597 3.158 0 50 IGAA COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)c2)c(OC)c1 239403297 RSKYRWYPOSHAMP-RYNGGLMESA-N 436.464 3.092 0 50 IGAA Cc1cc(C)c(NC(=O)Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)c(C)c1 263619544 ZDTCWWSLEZDGTO-UHFFFAOYSA-N 434.471 3.358 0 50 IGAA COCCNC(=O)Cc1c(-c2ccc(OC)cc2)oc2c(OC)c3c(c(OC)c12)OCO3 1848444222 XXZTUKYDIAROIS-UHFFFAOYSA-N 443.452 3.159 0 50 IGAA C[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(C)C(=O)[C@H]2C=C[C@H]1C)c1nc2cc(Cl)c(Cl)cc2[nH]1 2325823855 GIEHTQREGPHRTK-PLNQBOSISA-N 435.311 3.100 0 50 IGAA O=C(C[C@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2 2863280 BJZYENZTGODKCC-AREMUKBSSA-N 445.471 3.344 0 50 IGAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 12208952 PMEADVWFDPCSTI-MRXNPFEDSA-N 445.951 3.107 0 50 IGAA O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCCC1 12247468 FUMHCERRUYJJEV-OALUTQOASA-N 439.556 3.081 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2-c1ccccc1OC 20367426 ZRAJUCJPUACBBG-UHFFFAOYSA-N 445.475 3.008 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc(C(C)=O)c1C 20481487 YQIPTHXSGRFVKR-UHFFFAOYSA-N 443.569 3.192 0 50 IGAA O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1)NC1CC1 44606708 DOLPNGMQVSAVIX-DVTMXPNUSA-N 427.585 3.289 0 50 IGAA in-vitro c1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169746559 CRHIAMBJMSSNNM-UHFFFAOYSA-N 427.135 3.064 0 50 IGAA Cc1c(Br)ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 239128719 KQYQYKJUYMLGLF-QPSDCTRZSA-N 443.341 3.446 0 50 IGAA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(CCO)C(=O)[C@@H]13 252265753 OIKFDHXDOGJMOI-WVHIGHNFSA-N 443.584 3.490 0 50 IGAA Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)c1C 263615023 AEIWENRUYDGPOP-JOCHJYFZSA-N 435.503 3.268 0 50 IGAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCc1nc(-c2ccccc2)cs1 334162262 RBLWGRGBHFPWQC-FUHIMQAGSA-N 430.599 3.195 0 50 IGAA O=C(Cn1c(=O)oc2ccccc21)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 1317967977 BPMNVULNSLZZCS-UHFFFAOYSA-N 434.414 3.478 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(C)cc1 1197453 RJKSSPSAYHXNGN-FBHQFGEZSA-N 448.544 3.115 0 50 IGAA CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)nc1N 2886738 RHTTZLSADWHBEU-HOCLYGCPSA-N 440.550 3.330 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 9043241 BBQFDGCEQVMYSK-ITICKHJUSA-N 436.533 3.299 0 50 IGAA CCOC(=O)CCNC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12093634 UUDUSFVHGZMMPR-LJQANCHMSA-N 437.540 3.458 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1OC 12111690 LETRRQBFANTHGI-GOSISDBHSA-N 436.549 3.171 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(Cc3nc4ccccc4s3)CC2)O1)C1CCOCC1 14887138 MYQNVMAYMYTGNJ-GOSISDBHSA-N 429.586 3.353 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CSc3ccncc3)C2)cc1OC 15077821 UNERVTCVAXXSIH-IBGZPJMESA-N 429.586 3.356 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=N1 16699988 DSADTPFTCSHYBO-GTENMVSRSA-N 442.537 3.387 0 50 IGAA COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(C(=O)c2ccco2)CC1 169681396 XTHHNRYHEDUPDN-QGZVFWFLSA-N 425.529 3.365 0 50 IGAA CC[C@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 241961256 UQRFAYQJHYMTAO-LJQANCHMSA-N 431.489 3.467 0 50 IGAA COc1cc(C=c2sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc(OC)c1OC 254348032 BLYSNKMBMGGWMD-UHFFFAOYSA-N 449.488 3.446 0 50 IGAA O=C(O)CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 299764919 WNKOTRUPBWKXRD-RBBKRZOGSA-N 426.536 3.098 0 50 IGAA O=C(N[C@@H]1CCS(=O)(=O)C1)NC1(Cc2ccc(Br)cc2)CCCCC1 499086678 WMWFXJBVIFLJDE-MRXNPFEDSA-N 429.380 3.181 0 50 IGAA O=C(O)CC[C@@H]1CN(Cc2ccncc2)CC[C@@H]1N1CCN(c2ccccc2F)CC1 1076019226 WNKOTRUPBWKXRD-IRLDBZIGSA-N 426.536 3.098 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 1772492661 CBHAAIFAQOMMAF-WEMPKCCASA-N 442.585 3.396 0 50 IGAA CCO[C@H](C(=O)N1CCCC[C@@H](Cn2cc(-c3cc(C)ccc3C(=O)O)nn2)C1)C1CC1 1875356995 XIFHBIYYSVSMJU-VGSWGCGISA-N 440.544 3.396 0 50 IGAA COc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1OC1CCN(C2CCCC2)CC1 12571283 VYRQWRVVLCFLPG-UHFFFAOYSA-N 426.561 3.487 0 50 IGAA O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)N1N=C(C(F)F)C[C@]1(O)C(F)F 13960077 ADLITXSKTFARDE-INIZCTEOSA-N 438.740 3.133 0 50 IGAA COc1cc(CNCC(C)(C)CN(C)C)ccc1OC[C@H](O)CN(C)C1CCCCC1 14977561 BVJZBIHAEXJSPA-JOCHJYFZSA-N 435.653 3.377 0 50 IGAA Fc1ccccc1N1CCN([C@@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)CC1 19789581 VXXOSVXNNHSAGF-XMMPIXPASA-N 437.607 3.472 0 50 IGAA O=C1C[C@@H](C(=O)N2CCOc3ccc([C@@H](O)c4ccccn4)cc3C2)c2ccccc2N1 20785302 UXMITXMDJTWXQH-NTKDMRAZSA-N 429.476 3.010 0 50 IGAA O=C(NC[C@H](O)c1cccc(Br)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 225737155 VIQHTQQLMQJQSO-DYVFJYSZSA-N 437.721 3.305 0 50 IGAA COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CCCN1[C@H]2C(=O)c1ccc(F)cc1 245325926 HTVROKSUZNDXQZ-XFWGSAIBSA-N 442.874 3.323 0 50 IGAA O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21 475488696 WWJBMQOHKAHQES-JOCHJYFZSA-N 434.517 3.043 0 50 IGAA Cc1cc(C(=O)COC(=O)c2ccc[nH]2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 749955669 LBOSYKQBQHGQIP-UHFFFAOYSA-N 432.480 3.260 0 50 IGAA O=C(c1n[nH]c2c1COCC2)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875250760 FHFXKSBIAQBXNP-FCHUYYIVSA-N 433.464 3.166 0 50 IGAA Cc1c(Cl)cccc1N1CCCN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)CC1 1875254190 WAAHPJVSHLHTHL-OAQYLSRUSA-N 434.989 3.343 0 50 IGAA O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCN2CCC[C@H]2C1 4099263 UFQCGIWAPNSGPX-HNNXBMFYSA-N 441.457 3.434 0 50 IGAA Cn1c(=O)c2c(-c3cccc(Br)c3)n(-c3ccccc3N)cc2n(C)c1=O 9411162 CDRXOIAZLZLYIE-UHFFFAOYSA-N 425.286 3.040 0 50 IGAA Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 14991823 SHXFYCUXIFMZTD-XMMPIXPASA-N 447.535 3.457 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)c1 16086200 IWRATEZHRSTRIC-UHFFFAOYSA-N 449.019 3.022 0 50 IGAA Cc1ccccc1CN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)CC1 19632517 KUTIVMCGIRQHEZ-INIZCTEOSA-N 440.613 3.037 0 50 IGAA COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)c1 169764146 PBHBHNLEPIPEKV-UHFFFAOYSA-N 430.892 3.024 0 50 IGAA CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1c(OC)cccc1OC 253432816 OMPTUXUSIBLYBK-QGZVFWFLSA-N 431.514 3.163 0 50 IGAA O=S1(=O)N=C(NC2CCN(Cc3ccc(Br)cc3)CC2)c2ccccc21 301629681 AWLDDSLACSBOLN-UHFFFAOYSA-N 434.359 3.152 0 50 IGAA O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433578897 SHMIBBJYYOCRLK-NKKJXINNSA-N 440.499 3.467 0 50 IGAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 730409143 VNIYXNLAIYCNNW-MRVPVSSYSA-N 427.322 3.395 0 50 IGAA CSCC[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1c(O)nc2ccccc2c1=O 888090203 IWIPNYZRVVJIDF-QGZVFWFLSA-N 441.509 3.196 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2ccc(C)cc2)C1 1857693112 INVPDNRDFDFDBF-RMTZWNOUSA-N 427.633 3.257 0 50 IGAA Cc1nc(N2CCOCC2)sc1C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C 1857700434 HUEALTLLCWATBY-UHFFFAOYSA-N 429.521 3.160 0 50 IGAA O=C(N[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccnc(N2CCCC2)n1 1875318468 REUJZCREESLRGW-KRWDZBQOSA-N 434.327 3.309 0 50 IGAA C=CC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1nn2c(c1C)OCCC2 1875383428 TYTDPUWNNXZPJJ-LEWJYISDSA-N 436.556 3.130 0 50 IGAA COC(=O)[C@]1(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)CCC[C@@H]2C[C@H]21 2325827100 VECDHNJLPNURGP-OQQHHNTDSA-N 429.542 3.056 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(OC)cc3)S2)cc1 1250681 NOCUNRHGQDMPHN-QGZVFWFLSA-N 427.482 3.311 0 50 IGAA CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1 2881300 GKPNQSDLFSAGJJ-UHFFFAOYSA-N 427.505 3.406 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccc1OC 11784931 KAPXVEBRXRWAEW-XLIONFOSSA-N 440.569 3.069 0 50 IGAA CSc1ncc(CN(Cc2ccncc2)CC2CCN(C3CCN(C)CC3)CC2)cn1 11821260 HNHYOBIWKGHSEA-UHFFFAOYSA-N 440.661 3.402 0 50 IGAA CCC[C@]1(C2CCN(C(=O)Cc3ccccc3C)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11910617 LEJBZVHQXBKIRJ-SQJMNOBHSA-N 441.572 3.046 0 50 IGAA O=C(Cc1ccc(N2CCC(NCCc3cscn3)CC2)cc1)NCc1ccccn1 12245644 GXIFNEAATLMWAI-UHFFFAOYSA-N 435.597 3.198 0 50 IGAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 12854264 YRZXCDVYTIMOIS-UHFFFAOYSA-N 449.576 3.226 0 50 IGAA COc1cc(CNCCCn2ccnc2C)ccc1OC[C@@H](O)CN(C)C1CCCCC1 23338117 GGQDMHINLMTDCD-QHCPKHFHSA-N 444.620 3.384 0 50 IGAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)ccc1OCc1ccccc1 32671052 OKLRFUGPTCCWRJ-JOCHJYFZSA-N 440.496 3.482 0 50 IGAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 241837512 SKTKOJXNUHBLTL-MJBXVCDLSA-N 449.436 3.416 0 50 IGAA O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nc(-c3ccc(Br)cc3)nn12 254772097 VTXHWSDATZPUJZ-UHFFFAOYSA-N 429.255 3.036 0 50 IGAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccnc2)cc1OCC1(C)COC1 299776527 LXIQQWLOPPLJOX-FQEVSTJZSA-N 426.513 3.327 0 50 IGAA CO[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(OCC(=O)O)c(Cl)c3)cccc21 447790010 YDSAEOAGVCRBFZ-OAHLLOKOSA-N 427.862 3.074 0 50 IGAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 1470145962 GAOVKYXJGDRRBQ-MBSDFSHPSA-N 441.915 3.387 0 50 IGAA COc1cc2nc(NCCc3nc(O)c4c(C)c(C)sc4n3)nc(N)c2cc1OC 1529106198 MFHIIKOFTMYAFO-UHFFFAOYSA-N 426.502 3.211 0 50 IGAA NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1F 1875258486 TXQCACWEIWKWBN-HNNXBMFYSA-N 430.423 3.405 0 50 IGAA C[C@H](CCN1CCCC1)NC(=O)C12CCC(C(=O)N[C@H](C)CCN3CCCC3)(CC1)CC2 2325750115 NDIXCSARWRJRIH-URFUVCHWSA-N 446.680 3.308 0 50 IGAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 670485 VUGWBSLTIOVBAU-SNVBAGLBSA-N 431.297 3.224 0 50 IGAA O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccc(Br)c1 1143143 CKJYLWGFRFMBRG-OAHLLOKOSA-N 429.270 3.476 0 50 IGAA C[C@@H](C(=O)Nc1ccc(I)cc1)N(c1ccccc1)S(C)(=O)=O 2993116 NCHPQIOLWCZKMC-LBPRGKRZSA-N 444.294 3.084 0 50 IGAA COc1ccc(-n2ccnc2CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cc1 11935677 WDZZJAWJSUOQJV-SFHVURJKSA-N 448.523 3.252 0 50 IGAA CC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N2CCCC[C@H]2CCO)c1 12333837 GOFHSPDSLGSERF-IBGZPJMESA-N 431.577 3.259 0 50 IGAA O=C(c1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1)N1CCOCC1 12386006 DINZVTBPWGAKFB-BJKOFHAPSA-N 434.536 3.333 0 50 IGAA Cc1cc(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)nn1C 15066353 JURBKKWRCQKHDE-XMMPIXPASA-N 436.600 3.229 0 50 IGAA O=C(c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1)N1CCSCC1 15072723 RVNBKMISWVIBLF-UHFFFAOYSA-N 435.509 3.124 0 50 IGAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(OC)c2OC)c1 16184111 DEKKWUFFKIJOBH-IBGZPJMESA-N 443.525 3.153 0 50 IGAA OCC[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1 19642373 WSHGOYCXHALPAJ-AREMUKBSSA-N 425.592 3.401 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1Cl 23374359 FGNQIPOBFFQOPK-RXVVDRJESA-N 437.918 3.114 0 50 IGAA COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)cc1 104468326 TWTIZBOGIIXAHY-HSZRJFAPSA-N 426.557 3.167 0 50 IGAA CCOc1cc(CN2CCOc3ccc(C4(O)CCN(C)CC4)cc3C2)ccc1OC 299780207 PGLYMFPVWKWTAS-UHFFFAOYSA-N 426.557 3.402 0 50 IGAA COc1ccc2cc(CN(C)C(=O)CN3CCO[C@@H](Cn4nc(C)cc4C)C3)ccc2c1 303306514 JJHBLFWVXJBDQZ-XMMPIXPASA-N 436.556 3.021 0 50 IGAA C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)[C@@H]2CCCC[C@@H]12 461159491 MCKBJPWFKXOLNY-MBPVOVBZSA-N 434.548 3.115 0 50 IGAA COc1cc(-c2onc(N3CCCO[C@@H](CN4CCCCC4)C3)c2C(=O)O)ccc1F 1704303977 DXCFMLJAQQIKOM-INIZCTEOSA-N 433.480 3.269 0 50 IGAA Cc1ccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4nnc(C(C)C)s4)C3)no2)cc1 1857712581 DNVCXHSDRFJPNV-HNNXBMFYSA-N 425.514 3.294 0 50 IGAA O=C(N[C@@H]1CCCC12CCN(C(=O)c1cccc(N3CC=CC3)c1)CC2)c1ccc(O)nc1 1875358692 GCWYLCNKRXLVGL-JOCHJYFZSA-N 446.551 3.368 0 50 IGAA O=C(NC[C@@H]1CC[C@@H](c2ccccc2)C1)NS(=O)(=O)c1ccn(CC(F)(F)F)n1 2325841370 REZWVQGSLRJERI-UKRRQHHQSA-N 430.452 3.017 0 50 IGAA O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 1129234 KYXCNGNFHKLHNJ-WZONZLPQSA-N 446.459 3.035 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)(c2cccc(F)c2)C1=O 11782377 WXSBYQCFCYZNON-LMKMVOKYSA-N 449.482 3.390 0 50 IGAA Cc1oc(-c2ccccc2NC(=O)CCOc2ccccc2)nc1CNC(=O)C(C)(C)O 12161409 VOPSZBULCMCAQY-UHFFFAOYSA-N 437.496 3.445 0 50 IGAA O=C1CC[C@@](CCC(=O)N2CCN(c3ncc4ccccc4n3)CC2)(Cc2cccs2)N1 12205558 RVDOEQLRLCVCJJ-XMMPIXPASA-N 449.580 3.012 0 50 IGAA COCCN(C)Cc1ccc2c(NC(=O)Cc3cccc(F)c3)c(C(=O)OC)sc2n1 12247659 QAIKVRAZNHHLEX-UHFFFAOYSA-N 445.516 3.481 0 50 IGAA CC[C@]1(C2CCN(C(=O)C3CCCC3)CC2)NC(=O)N(CCc2scnc2C)C1=O 14879778 XORBWDZFBBSTEL-JOCHJYFZSA-N 432.590 3.123 0 50 IGAA COC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 16194208 PFIDGQLTMLGNST-UHFFFAOYSA-N 442.468 3.446 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1 23374999 RXEVPPXMXYWWJH-NRFANRHFSA-N 425.577 3.432 0 50 IGAA Cc1ccccc1C(=O)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40392037 PFMLEMATPQWLBV-UHFFFAOYSA-N 428.427 3.246 0 50 IGAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(C(F)(F)F)cc1 169752549 KJPLFYRBEKFTDR-UHFFFAOYSA-N 442.397 3.313 0 50 IGAA C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 241588185 PANIHULFPRBSDF-WHSLLNHNSA-N 442.537 3.358 0 50 IGAA O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433578898 SHMIBBJYYOCRLK-TUACAJSNSA-N 440.499 3.467 0 50 IGAA COc1cccc(CC2(C(=O)N3CC[C@](O)(c4cn(C(C)C)nn4)C3)CCCCC2)c1 813587266 YNHGKYABWBOFKM-XMMPIXPASA-N 426.561 3.481 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2cccc(C)c2)C1 1857687562 YPOFAUOAVZKVHX-RMTZWNOUSA-N 427.633 3.257 0 50 IGAA O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 1875261857 DPRCZVVQXZUXFH-YLJYHZDGSA-N 446.532 3.483 0 50 IGAA CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H](n1cc(C(C)(C)N(C)C)nn1)C(C)(C)C 1875362918 YUTHBXNIJMFLJS-LJQANCHMSA-N 448.999 3.413 0 50 IGAA O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)O)c1c[nH]c2ccc(Br)cc2c1=O 2325877431 RDZYQOSOTAJPFI-GFCCVEGCSA-N 447.260 3.103 0 50 IGAA COC(=O)CCC(=O)NC[C@H]1Cc2cc(-c3cc(OC)ccc3OC)cc(Cl)c2O1 11788551 WYUMWRCSHJMKOP-MRXNPFEDSA-N 433.888 3.397 0 50 IGAA O=C(c1n[nH]c2c1CCC2)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12433314 VIEBNOUFDSPFOL-QHCPKHFHSA-N 448.611 3.399 0 50 IGAA CCOc1ccc2nc(N3CCC[C@H](C(=O)N(CC)CCn4cccn4)C3)nc(C)c2c1 14981520 ZDNCLUBCGOAKMQ-IBGZPJMESA-N 436.560 3.299 0 50 IGAA COc1ccc(CCNc2ncnc3sc(C(=O)NC(C)(C)CO)c(C)c23)cc1OC 15009079 ZMWYQKUMZYFAMS-UHFFFAOYSA-N 444.557 3.172 0 50 IGAA O=C1C[C@H](N2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1cccc(F)c1 15307048 BCOFVANOLQJCBG-SFHVURJKSA-N 447.304 3.204 0 50 IGAA Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(NCc3cccc(F)c3)c12 19865548 ZIUOQKSWRCDTOE-UHFFFAOYSA-N 443.548 3.203 0 50 IGAA CCN(CC)C[C@H](O)COc1cc(CN2CCN(C3CCCCC3)CC2)ccc1OC 20406556 PGQPGJXJRHKVNV-QHCPKHFHSA-N 433.637 3.227 0 50 IGAA Cc1ncn(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)c1C 72446872 OWMCHZMJBSVUJY-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1ccc(C(F)(F)F)cc1 205734360 GGOFGCMPKAWHEZ-UHFFFAOYSA-N 427.430 3.457 0 50 IGAA COc1ccc(OC)c2c1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C)C[C@H]2O 328593493 BCRJXUGHJOEOIR-QLVMHMETSA-N 448.560 3.361 0 50 IGAA C[C@H](NC(=O)NCCNc1ccc(-c2ccccc2)nn1)c1nc(-c2cccc(F)c2)no1 443496502 DSIXYKSFEOVILX-HNNXBMFYSA-N 447.474 3.805 0 50 IGAA CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1Cc2ccccc2N(C)C1 444538263 BYCAMOYZONPFHK-WZONZLPQSA-N 432.568 3.276 0 50 IGAA COCCc1ccnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1 490258564 ZRZIELMZTIUMBF-QFIPXVFZSA-N 432.524 3.320 0 50 IGAA COc1ccc(-n2cccn2)cc1S(=O)(=O)NC1CCN(c2cccc(C)c2)CC1 670447526 PPOJOGIJEXMRKL-UHFFFAOYSA-N 426.542 3.137 0 50 IGAA Cc1cc(C(=O)NC[C@H](O)c2cccc(F)c2)cc(C)c1OCC(=O)N1CCCCC1 743323146 WQFYTKCBGQDANB-NRFANRHFSA-N 428.504 3.297 0 50 IGAA CN1CCC[C@@H](c2nnc3sc(-c4cccc(I)c4)nn23)C1 823771400 BDKWEZNILWWDTE-LLVKDONJSA-N 425.299 3.267 0 50 IGAA O=C(O)[C@@]1(Cc2ccccc2)CN(C2CCN(c3ccc(F)c(F)c3)CC2)CC[C@@H]1O 1704280294 YTDKKDRMPPOLQR-UPVQGACJSA-N 430.495 3.314 0 50 IGAA Cc1cc(C(=O)NCC[C@@H]2c3ccccc3CCN2C(=O)c2ccc(F)c(N)c2)cc(O)n1 1875360270 DGBUSGKIBCQQKP-JOCHJYFZSA-N 448.498 3.377 0 50 IGAA CCOC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1C1(C(=O)OC)CCCC1 1136961 HAUHDNOLRMMLSN-LSDHHAIUSA-N 425.275 3.364 0 50 IGAA CCOc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1 2060851 HRRFPBKQPDKZMB-UHFFFAOYSA-N 436.599 3.209 0 50 IGAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1ccc(F)cc1 12091788 BDVXDWMFNZZISC-XMMPIXPASA-N 433.612 3.430 0 50 IGAA CC(C)CN1CCC(CN(C)C(=O)CCc2nnc(-c3ccc4c(c3)OCO4)o2)CC1 12587967 ZENHZNCSRQQLND-UHFFFAOYSA-N 428.533 3.224 0 50 IGAA CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2(C)CC2)CC1=O 14534426 IHCZWSQWPPKJTA-KRWDZBQOSA-N 428.451 3.350 0 50 IGAA COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)cc(OC)c1OC 22204916 BWOSIQYESMFZDR-JXFKEZNVSA-N 437.521 3.267 0 50 IGAA Cc1ccc(C(=O)Nc2ccc(-n3cnnc3)cc2)cc1S(=O)(=O)N1CCCCC1 170614393 YVJXUSGRLJSQQW-UHFFFAOYSA-N 425.514 3.003 0 50 IGAA CC(C)n1c(CCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)nc2ccccc21 252527482 CQPDWWKQRXSCNI-MMOPVJDHSA-N 429.590 3.002 0 50 IGAA Cc1noc([C@H]2CCCN(c3ncc(Cl)c(N4CCC[C@H](c5nc(C)no5)C4)n3)C2)n1 302003598 YLNJRKVSHZFHKG-GJZGRUSLSA-N 444.927 3.281 0 50 IGAA O=C(O)c1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1N1CCSCC1 741652083 CTCOMZNYHSKBKQ-UHFFFAOYSA-N 432.445 3.156 0 50 IGAA CCOC(=O)Oc1c(OC)cc(-c2nn3c([C@@H]4CCCN(C)C4)nnc3s2)cc1OC 1772491137 YQLWEICRPGKCKT-GFCCVEGCSA-N 447.517 3.215 0 50 IGAA Cc1ncoc1CN(C)C(=O)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)cc1 2325863440 KAECPZFZGHEQSZ-UHFFFAOYSA-N 433.468 3.180 0 50 IGAA C[S@](=O)(=NC(=O)CCc1ccc(Cl)s1)C1CCN(C(=O)C2=CCOCC2)CC1 2332238840 NWOAPYWVDLFARB-MUUNZHRXSA-N 445.006 3.296 0 50 IGAA COC(=O)C1(C(=O)OC)[C@H](c2ccc(OC)cc2)CC(=O)C[C@H]1c1ccc(OC)cc1 638818 RKFWOUJAFUYCGV-SFTDATJTSA-N 426.465 3.267 0 50 IGAA COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccc(Cl)cc2)s1 8588205 LEANCGUAFJOZOX-UHFFFAOYSA-N 438.918 3.278 0 50 IGAA CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1N1CCCC1 10009898 DFFGPJFRMXDQBI-UHFFFAOYSA-N 447.557 3.245 0 50 IGAA CCCc1cc(C(=O)N2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)no1 11787967 GFAPXOAAKAHGRN-DEOSSOPVSA-N 438.528 3.080 0 50 IGAA O=C(NCCCn1cccn1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12054386 PNSXBDSJINPFPZ-HXUWFJFHSA-N 430.556 3.252 0 50 IGAA Cc1c(CN2CCC3(CC2)C[C@@H]3C(=O)NCC2(c3ccccc3)CCOCC2)cnn1C 14885479 JXFNLLFJSOTLEF-HSZRJFAPSA-N 436.600 3.195 0 50 IGAA Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 15072916 GEDSETPNVXUJFE-OAHLLOKOSA-N 439.541 3.117 0 50 IGAA C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20311844 WKFIKLZPYDTLDV-OAHLLOKOSA-N 447.329 3.290 0 50 IGAA C=Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 20998133 UKFTWJAKXJBXAT-HSZRJFAPSA-N 433.552 3.481 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]2CCO)CC1 22913600 PMGWBVBRYPBUCA-NRFANRHFSA-N 448.011 3.131 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CCC(=O)N2)cc1OC 104303103 ZAVCWBWDBWKTHN-TXNPELCJSA-N 438.568 3.394 0 50 IGAA O=C(c1cc(O)ccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 252501944 UMHHRYGBXHKJQF-UHFFFAOYSA-N 449.743 3.499 0 50 IGAA Cc1nc2c(n1[C@H]1CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C1)CCCC2 468442194 JMGJFYBEWNSDPR-KRWDZBQOSA-N 434.462 3.293 0 50 IGAA CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c2ccccc21 1339503205 WPQQAYCNYGHXHK-GOSISDBHSA-N 433.533 3.336 0 50 IGAA CCO[C@H](C(=O)N1CCCC[C@H](Cn2cc(-c3cc(C)ccc3C(=O)O)nn2)C1)C1CC1 1875356793 XIFHBIYYSVSMJU-JTSKRJEESA-N 440.544 3.396 0 50 IGAA COc1ccc2c(c1)OCC=CCOCCCC(=O)N[C@@]13CCC[C@H]1N(CCC3)C2=O 1875369645 ACVSTIMSOAMRFL-ZJSXRUAMSA-N 428.529 3.084 0 50 IGAA C[C@]1(c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)NC(=O)NC1=O 2325822741 LRGNXQLMULJKJF-JOCHJYFZSA-N 427.888 3.078 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1 1128608 TZNPQGWBXPPFNV-UHFFFAOYSA-N 426.498 3.302 0 50 IGAA O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)c1ccccc1Br 1142674 XXAOORWQELFQLE-UHFFFAOYSA-N 427.349 3.267 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CSc2nnc(CC)o2)C1 11709500 SSDYNEIMCUYPSF-JOCHJYFZSA-N 431.558 3.447 0 50 IGAA CCN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 12446608 HSOOQUBTIQXQRP-UHFFFAOYSA-N 429.590 3.117 0 50 IGAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 14536365 VFGNKZKIUHDVHZ-IHPCNDPISA-N 439.968 3.355 0 50 IGAA COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N[C@@H](C)C(=O)OC)cnc2n1CC(C)C 14743126 DBYWTVYRGPDUDS-ZDUSSCGKSA-N 442.472 3.298 0 50 IGAA Cn1c(CCNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1cccc(Cl)c1 14880061 GJHFXAGAXSEEGB-UHFFFAOYSA-N 430.917 3.462 0 50 IGAA CCCCn1c(CN(C)C[C@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)C1CCCCC1 15062235 WTUKFSWINVSICP-GOSISDBHSA-N 438.638 3.090 0 50 IGAA O=C(c1ccccc1NS(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 16474541 BAFQVMSUELKOFA-UHFFFAOYSA-N 435.549 3.445 0 50 IGAA CCOCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 170593372 KXOCNHKNHJBVOC-UHFFFAOYSA-N 444.303 3.363 0 50 IGAA C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC[C@H]1C 229702877 PUODMZKEKAFXMY-UGUYLWEFSA-N 448.054 3.037 0 50 IGAA Cc1sc(NC(=O)CNC(=O)Cc2ccccc2)nc1-c1ccc2c(c1)CCC(=O)N2 467760597 ZMDXHXMVGDLBQE-UHFFFAOYSA-N 434.521 3.301 0 50 IGAA Cc1cc(C)nc(-n2nc(C(=O)N3Cc4ccccc4C[C@@H]3c3nnc(C)o3)cc2C)n1 489985191 YXZHQIQHYRNSBA-HXUWFJFHSA-N 429.484 3.219 0 50 IGAA C[C@H](NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(F)c1 1323226482 TVNDILDDDDPUPL-WFASDCNBSA-N 435.883 3.164 0 50 IGAA CNC(=O)c1ccc(S(=O)(=O)N(Cc2cccc(OC)c2OC)C2CCCC2)cc1 1506399794 JAGIKGCCVMNUSW-UHFFFAOYSA-N 432.542 3.197 0 50 IGAA Cc1ccc(CCC(=O)N=[S@@](C)(=O)C2CCN(C(=O)c3ncoc3C)CC2)c(C)c1 2332238489 AUAKSGRNYCRFOT-PMERELPUSA-N 431.558 3.462 0 50 IGAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCNC(=O)c2ccc(F)cc2)CC1 2356144992 VXBYZUPCGIOHON-UHFFFAOYSA-N 426.488 3.045 0 50 IGAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 669805 GPOHTTTVVGUENF-UHFFFAOYSA-N 426.498 3.084 0 50 IGAA Cc1ccc(S(=O)(=O)N(c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 1242426 XBGMDPTYESCEPH-MRXNPFEDSA-N 442.356 3.264 0 50 IGAA O=C(O)COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 2849881 XETSFKHENDYPEL-UHFFFAOYSA-N 430.416 3.199 0 50 IGAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCc3ccccc3C2)cc1 2859146 OIKHSUDQOUEAEO-UHFFFAOYSA-N 425.539 3.033 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc2c(cc1Br)OCO2 9560017 LJOFAQPWBCXKQA-GFCCVEGCSA-N 442.331 3.352 0 50 IGAA O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(C(=O)CCOc3ccccc3)CC2)N1 12159839 GYMSKFOTUPNLIW-SANMLTNESA-N 449.551 3.295 0 50 IGAA O=C(c1ccc(N2CCC(NCCN3CCCc4ccccc43)CC2)cc1)N1CCOCC1 12218659 KMVJOMJKLYXORI-UHFFFAOYSA-N 448.611 3.170 0 50 IGAA O=C(NCCCn1ccnc1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12305581 GWWKBGOYWRABIO-HXUWFJFHSA-N 430.556 3.252 0 50 IGAA COc1c(C)cc(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)cc1C 12315623 VTVHYFBMCKVFBR-HNNXBMFYSA-N 439.965 3.291 0 50 IGAA COc1ccc(OCc2cc(C(=O)NCCSc3nncn3C)no2)c2ccccc12 12713678 UPXBVONHAPIHAR-UHFFFAOYSA-N 439.497 3.066 0 50 IGAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOc2ccccc2)c1 13602775 SXFPZEAMXCKTRR-FQEVSTJZSA-N 428.510 3.119 0 50 IGAA CCN1CCN(C[C@H](O)COc2ccc(CNCCCC3CCCC3)cc2OC)CC1 22919458 JIVQPEAIKVUNPU-QHCPKHFHSA-N 433.637 3.132 0 50 IGAA CCCCn1c(=O)c(C(=O)Nc2nc(CC(=O)OCC)cs2)c(O)c2ccccc21 100658564 NKVNDUGADJOSPP-UHFFFAOYSA-N 429.498 3.322 0 50 IGAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)C1=O 733874958 MVFWBASQNVJUKC-DEOSSOPVSA-N 440.463 3.031 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1 776204138 QLYDSSSHQHVFIO-BMGDILEWSA-N 427.636 3.371 0 50 IGAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 788354151 MXRILNSLZJXRDG-JSGCOSHPSA-N 447.406 3.470 0 50 IGAA COCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 952983028 ZJPONUQMYVQLTE-UHFFFAOYSA-N 429.904 3.416 0 50 IGAA Cc1nc(-c2ccn(C)n2)sc1CC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 1468986568 DKCMYYKPFBMVOM-MRXNPFEDSA-N 449.374 3.349 0 50 IGAA CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccncc2)c1 1776002322 XABVMZPNWDMNSY-UHFFFAOYSA-N 425.510 3.487 0 50 IGAA O=C(O)c1ccc2cc(C(=O)N[C@@H]3CCc4nnc(Cc5ccccc5)n4C3)ccc2c1 2325853606 WKJIQWVCOWIRNU-OAQYLSRUSA-N 426.476 3.465 0 50 IGAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11698018 BFGDCNVITDUHRA-UHFFFAOYSA-N 446.536 3.279 0 50 IGAA CSc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1 12031591 ZSNBPJWDYHSBSI-UHFFFAOYSA-N 425.558 3.198 0 50 IGAA COCCCNC(=O)c1nn(C)c2c1CN([C@H](C)Cc1cccc(C(F)(F)F)c1)CC2 14541319 QEDFSUCGCJJGBX-OAHLLOKOSA-N 438.494 3.195 0 50 IGAA COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cccc(O)c2)C3)c1 14748774 OQZASNMCBZXKOA-UHFFFAOYSA-N 432.524 3.096 0 50 IGAA O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)C1(N2CCOCC2)CCCCC1 19744117 LUIXXYSRMOBWDJ-SFHVURJKSA-N 428.602 3.416 0 50 IGAA CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](CO)CC(C)C)cc2)cc1 225430012 ZXHWECQOGOZEBQ-KRWDZBQOSA-N 434.558 3.271 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1OC 244866382 VVCZJTICMGHIIA-UWVAXJGDSA-N 438.402 3.116 0 50 IGAA O=C(CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 252484352 FURURAHPWCAHSB-IBGZPJMESA-N 441.915 3.260 0 50 IGAA CC(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O)c1nnc2ccccn12 252549086 QTCZINAUBZZPOB-QZTJIDSGSA-N 434.500 3.113 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O 390827086 DVSCLZPQTFJALQ-OEMFJLHTSA-N 441.616 3.407 0 50 IGAA biogenic Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)c1 463427344 GCPDWIQDRFWUFW-SFHVURJKSA-N 426.947 3.341 0 50 IGAA O=C([C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)N1CCO[C@H](c2cccc(O)c2)C1 484920706 SDGLRRCSGNEEPD-SXWKCWPCSA-N 442.512 3.022 0 50 IGAA C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCCC2(CCN(C)CC2)C1 799179369 JVSWPACYCDLFOY-HNNXBMFYSA-N 438.494 3.187 0 50 IGAA COc1cccc(CN2CCN(C(=O)[C@@H](c3ccc(F)cc3)N3CCCCC3)CC2=O)c1 824781012 CYRAEHZUOZRUTD-XMMPIXPASA-N 439.531 3.232 0 50 IGAA CN(Cc1ccc(OCC(=O)N2CCCCC2)cc1)C[C@H]1CC(=O)N(C2CCCC2)C1 952976814 OWVNLGVXHTVDSG-OAQYLSRUSA-N 427.589 3.301 0 50 IGAA O=C(NCC[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc2[nH]c3c(c2c1)CCCCC3 1775972364 XTZKNBOSMPILCZ-QFIPXVFZSA-N 430.508 3.307 0 50 IGAA COc1ccc([C@H](CC(=O)NCCNc2ncccn2)c2ccc3cccnc3c2O)cc1 1776111706 MCUIFYJBXZCSQO-NRFANRHFSA-N 443.507 3.489 0 50 IGAA COc1ccc(Cn2nnc(-c3nc(Cn4cncn4)nn3[C@H]3CCC[C@@H](C)C3)c2C)cc1 1875349508 ZXUBUBISLHYQCJ-APWZRJJASA-N 447.547 3.293 0 50 IGAA O=C(NCc1cccnc1-n1cncn1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 2325700108 GMGOOEXPSDIYQN-UHFFFAOYSA-N 444.451 3.292 0 50 IGAA Cc1cc(C)n2c(CN(C)CCCCN(C)Cc3cnc4nc(C)cc(C)n34)cnc2n1 2325720884 BXRSOXGHBGTTAI-UHFFFAOYSA-N 434.592 3.350 0 50 IGAA COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCC(C)C)cc(Br)c1O 821060 CICKAZYHTFIMRA-OAHLLOKOSA-N 427.295 3.333 0 50 IGAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCc2ccccc2C1 1062283 ZCBYRMKRXITCLL-UHFFFAOYSA-N 434.945 3.088 0 50 IGAA Cc1nn(C)c(C(=O)NC(=S)Nc2ccccc2I)c1Cl 2784187 NPMBHQWYYGIKTB-UHFFFAOYSA-N 434.690 3.113 0 50 IGAA CC(=O)N1c2ccccc2[C@@H](N(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc2)C[C@H]1C 8992421 MUSCRCXPABTKBL-KOSHJBKYSA-N 448.567 3.103 0 50 IGAA CN(C)c1ncnc2c1C(c1ccc(Br)cc1)c1c(ncnc1N(C)C)O2 10014025 FUAABZWLAQJEMB-UHFFFAOYSA-N 427.306 3.447 0 50 IGAA CCOC(=O)N1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)CC1 11816548 SYTLPPGRKFUIAN-UHFFFAOYSA-N 427.379 3.187 0 50 IGAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N2CCCOc3c(cccc3OC)C2)c1=O 11977252 CMHGFJHCDSUYTL-INIZCTEOSA-N 441.528 3.003 0 50 IGAA Cc1ccccc1[C@@]1(CC(=O)N(C)C[C@@H]2CCCCO2)CC(=O)N(Cc2ccncc2)C1=O 14881715 SFACVPRSKNLMHC-HFZDXXHNSA-N 449.551 3.005 0 50 IGAA C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 14992820 ADEBNJGLPDIZDB-KRWDZBQOSA-N 439.510 3.425 0 50 IGAA COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)cc(OC)c1OC 22204918 BWOSIQYESMFZDR-OXJNMPFZSA-N 437.521 3.267 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c(OC)c1 101943174 UTHAINCDNFRKQU-TZRRMPRUSA-N 449.551 3.452 0 50 IGAA Cn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 742640014 JUGZLRQJWZSTGI-SJORKVTESA-N 445.589 3.118 0 50 IGAA O=C(NCC1=CCOCC1)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893448 MEIQWFLVWDOSMT-LJQANCHMSA-N 440.397 3.438 0 50 IGAA O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(-n2nccn2)nc1 1291742215 JDTGYFRNCAKKLC-QGZVFWFLSA-N 434.403 3.051 0 50 IGAA CC(C)n1ncc2c1[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 1338001781 QJYWLQRIVCSUOU-NRFANRHFSA-N 444.601 3.375 0 50 IGAA COc1ccc([C@@H](CC(=O)NCCCc2ccco2)c2c(O)n3ccccc3nc2=O)cc1 1776111379 RTQWBPUIHWJVFN-HXUWFJFHSA-N 447.491 3.273 0 50 IGAA O=C(N[C@H](C(=O)O)c1ccccc1F)c1cnc2sc(Cc3ccccc3)cn2c1=O 1875257294 HWNSCQWNPYYPQZ-SFHVURJKSA-N 437.452 3.042 0 50 IGAA Cc1cc(C(=O)NCC[C@H]2c3ccccc3CCN2C(=O)c2ccc(F)c(N)c2)cc(O)n1 1875360271 DGBUSGKIBCQQKP-QFIPXVFZSA-N 448.498 3.377 0 50 IGAA CCc1cccc(CC)c1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819784 PWJCCLMPAPGYLR-UZLBHIALSA-N 428.554 3.226 0 50 IGAA C[C@H](C(=O)N=[S@]1(=O)CCCN(c2cncc(Cl)n2)CC1)c1ccc(F)c(F)c1 2332238200 FQSABHUAHJULHF-JNFKXCBWSA-N 428.892 3.417 0 50 IGAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c4c(cccc24)CC3)c2ccccc21 1154703 RORAOUKAESQHMN-AREMUKBSSA-N 429.472 3.309 0 50 IGAA COc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 8768254 GLTXTKFSVSWEKF-SJORKVTESA-N 437.315 3.070 0 50 IGAA C/C=C(\C)C(=O)N1CCC([C@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 11912550 PRJSADOBTAGPFU-NJHGVTGSSA-N 438.553 3.295 0 50 IGAA Cc1ccccc1[C@]1(CC(=O)N(C)[C@H](C)c2ccon2)CC(=O)N(Cc2cccnc2)C1=O 12151820 FEKUWFHZAULBNQ-CJAUYULYSA-N 446.507 3.185 0 50 IGAA COc1cc(CN2CCC(N3CCCCC3)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 12585299 RTISTOBPGFAPLV-QHCPKHFHSA-N 433.637 3.225 0 50 IGAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccs1)CC2 14733124 SNLZXWSUQUIAJV-UHFFFAOYSA-N 442.585 3.021 0 50 IGAA CCOC(=O)C[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)CC)n1Cc1ccccc1 19222495 OBHNVAYYZSCNFH-IBGZPJMESA-N 433.574 3.033 0 50 IGAA CCOC(=O)C[C@H]1CCCCN1Cc1cnc(S(=O)(=O)CC)n1Cc1ccccc1 19222497 OBHNVAYYZSCNFH-LJQANCHMSA-N 433.574 3.033 0 50 IGAA COc1ccc(NCCN(C)CC(=O)Nc2c3c(nc4ccccc24)N(C)CC3)cc1OC 19535345 PBTDDKNULHKDSL-UHFFFAOYSA-N 449.555 3.227 0 50 IGAA Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 144904566 RZUOCXOYPYGSKL-GOSISDBHSA-N 440.866 3.157 0 50 IGAA in-man C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239274621 ALPJIJNVVODKHN-XFWRZKRASA-N 449.732 3.483 0 50 IGAA CCN(Cc1ccccc1)C(=O)Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O 263615108 AOXQBMHELGIUSO-UHFFFAOYSA-N 430.508 3.012 0 50 IGAA C[C@@H](Cc1ccccc1)n1cccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463122529 FNVVNVJZQUBKMX-URXFXBBRSA-N 445.563 3.492 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@]4(CCc5cnc(N)nc54)C3)s2)cs1 1704325890 WDVQHJLXWGHSKV-IBGZPJMESA-N 447.611 3.221 0 50 IGAA Clc1ccc([C@H]2CN(c3[nH]cnc4nc(I)cc3-4)CCN2)cc1 2325840294 WVUNVLRGPZPBBX-CYBMUJFWSA-N 439.688 3.318 0 50 IGAA COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)cc(OC)c1OC 728821 FVESPXBJWRXZBR-LJQANCHMSA-N 427.526 3.452 0 50 IGAA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 977622 ZHRUXCGZRWJWEZ-UHFFFAOYSA-N 435.933 3.321 0 50 IGAA COc1ccc(C)cc1NC(=S)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2853504 JDHJQZOPYQUBLN-UHFFFAOYSA-N 439.990 3.360 0 50 IGAA COc1ccc(S(=O)(=O)N2CCOc3c(cc(-c4cccnc4)cc3OC)C2)cc1 12152854 HFEPWUNEQJVCGY-UHFFFAOYSA-N 426.494 3.349 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 12155012 AFEHPXMVGQVGHZ-FQEVSTJZSA-N 444.491 3.482 0 50 IGAA O=C(Nc1ccnn1C1CCN(C(=O)c2csc3c2CCCC3)CC1)[C@@H]1CCOC1 12583436 GLGBKHBTNQSBEC-OAHLLOKOSA-N 428.558 3.276 0 50 IGAA CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21 13366202 KCLNUWOIPKUVNV-JGCGQSQUSA-N 448.500 3.492 0 50 IGAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3ccoc3)C2)c1 14536828 JKNGIXCPUWLWKG-XMMPIXPASA-N 448.519 3.401 0 50 IGAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 16649241 UUEPUFRJDGOCDB-UHFFFAOYSA-N 449.598 3.316 0 50 IGAA CCn1c(CN2CCOCC2)nnc1SCC(=O)c1c(C)n(CC)c2ccccc12 19852227 UJBAHDKFAALHGM-UHFFFAOYSA-N 427.574 3.388 0 50 IGAA CCOC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C(=O)O)c4ccccc43)cc2c1C 225583994 ABKPQPNDYIYLDC-INIZCTEOSA-N 429.450 3.295 0 50 IGAA O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1)c1ccccc1 239173574 OFCMGCBKKRKOQT-AEZRXPCCSA-N 427.456 3.284 0 50 IGAA O=C1c2ccccc2C(=O)N1C[C@H](O)CN1C(SCc2ccccc2)=N[C@@H]2C=CC=C[C@H]21 247753600 XRZZOJLVPRVPEK-STZQEDGTSA-N 445.544 3.112 0 50 IGAA COC(=O)N1CCN(c2ccncc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 253428688 QXDIIWNHUIHFRW-OAHLLOKOSA-N 432.908 3.338 0 50 IGAA CN(C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@H](CO)Cc1ccccc1 1310276482 OAUUQCDTJGDDSB-SFTDATJTSA-N 426.517 3.054 0 50 IGAA CC(C)c1ccc(N2CC[C@H](C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)C2=O)cc1 1447203498 RUDHRTXUAAJRAL-HSZRJFAPSA-N 449.551 3.399 0 50 IGAA O=C(COc1ccccc1)Nc1nnc(SCC(=O)N2Cc3ccccc3C2)s1 1857800189 UXBKDRVAMZZVQG-UHFFFAOYSA-N 426.523 3.190 0 50 IGAA O=C(c1cc(=O)c2ccc(F)cc2o1)N1CCC[C@H](N2CCN(C3CCCCC3)CC2)C1 2325719773 JBDHEFUHZZPCQP-FQEVSTJZSA-N 441.547 3.487 0 50 IGAA Cc1c(C(=O)N(C)CCCCN(C)C(=O)c2ccc3cncn3c2C)ccc2cncn12 2325731140 KUXATRQFNQCRNC-UHFFFAOYSA-N 432.528 3.223 0 50 IGAA COC(=O)CN(C)C(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c1 2325820001 XLCHKVICBNYENH-ZWKOTPCHSA-N 446.297 3.403 0 50 IGAA COc1cc(Br)cc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12 1075831 DFELGHFXAHBQLC-UHFFFAOYSA-N 432.226 3.223 0 50 IGAA CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1215046 YERULVNDORMQHU-WOJBJXKFSA-N 425.481 3.450 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 1216022 WAJCJOMNXLKYIN-GOSISDBHSA-N 434.323 3.456 0 50 IGAA Cn1cc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(C(=O)O)n1 2807860 HYJYKBIATHKTFD-UHFFFAOYSA-N 436.375 3.161 0 50 IGAA CCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1 6244882 JZCPOTVUSLPBND-UHFFFAOYSA-N 443.500 3.131 0 50 IGAA CCc1nn(CC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc3sc(C)cc3n12 9848625 GMWVIRPICOOFSA-HOTGVXAUSA-N 443.617 3.066 0 50 IGAA COCC[C@@H]1CCCCN1Cc1nc(N2CCCN(C(C)=O)CC2)c2cccc(C)c2n1 12078936 UIRSZVRYMBBOBE-NRFANRHFSA-N 439.604 3.388 0 50 IGAA O=C(NCc1cccnc1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 12151923 HOGKWFLCYVEGQH-UHFFFAOYSA-N 440.463 3.260 0 50 IGAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1 12198616 XXLCOVPJLQOUIV-QHCPKHFHSA-N 428.621 3.359 0 50 IGAA CC(C)c1csc(CN2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)n1 12431643 VFWBKUQQJVFSLH-FQEVSTJZSA-N 434.650 3.238 0 50 IGAA Cc1ccccc1CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12707934 SSXXZXMRHWGQFM-UHFFFAOYSA-N 436.961 3.381 0 50 IGAA CN(Cc1ccccn1)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O 14880535 OFMGYIKHGZHFAT-JOCHJYFZSA-N 445.441 3.308 0 50 IGAA COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c(=O)c3cc4c(cc32)OCO4)cc1 217841820 RJXSBBCHCOIXSY-UHFFFAOYSA-N 446.415 3.202 0 50 IGAA O=C1NC(=O)[C@@H]2[C@@H]1Sc1c(sc(=O)n1-c1ccccc1)[C@H]2c1c[nH]c2ccccc12 238881702 BCEQDXGETVCNQO-ULQDDVLXSA-N 433.514 3.259 0 50 IGAA CCCCON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 252320809 UPYPGWHUZDBGJN-DIZXRHAGSA-N 441.138 3.394 0 50 IGAA CN1C[C@@H](C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c2ccccc2C1=O 425926865 WQKVUVQPIVJGIU-OXQOHEQNSA-N 434.471 3.451 0 50 IGAA C[C@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)c2c3ccccc3nn2C)CC1)c1ccsc1 2332238631 GADMFPRVGALNBJ-INCQDFKNSA-N 444.582 3.279 0 50 IGAA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 862490 AYBPWWCOKCEXOR-IBGZPJMESA-N 443.525 3.153 0 50 IGAA COc1cccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 2170348 PONLZDHGKCFQEC-UHFFFAOYSA-N 428.963 3.023 0 50 IGAA COc1ccc(CNC(=O)CC[C@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)c(OC)c1 11814384 MKFAKYBVLKIGTR-XMMPIXPASA-N 444.503 3.139 0 50 IGAA COc1cc(CN(C)Cc2ccncn2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12574349 KUWYGTGBVAHPOB-QFIPXVFZSA-N 428.577 3.121 0 50 IGAA COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@@H](C)CCC=C(C)C)CC3)o1 14988913 FQIQFKBRFOAELE-SFHVURJKSA-N 429.565 3.188 0 50 IGAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC 20908685 VBSSJVPIYVKBRA-GOSISDBHSA-N 435.524 3.239 0 50 IGAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](OCc2cccnc2)C1 55131443 CTDOHJVZBGPFLY-GOSISDBHSA-N 427.936 3.266 0 50 IGAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 229940455 NYZMSUPACKYIHW-TZIWHRDSSA-N 444.626 3.250 0 50 IGAA CCOC(=O)c1cn(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2cc(F)c(OC)cc2c1=O 253433215 UDODMXWWCWHXNY-FXUDXRNXSA-N 444.503 3.267 0 50 IGAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C 487585830 GAHPXHDUGFOYHE-DLBZAZTESA-N 429.524 3.363 0 50 IGAA CN1CCC(c2nnc3sc(-c4ccc(I)cc4)nn23)CC1 823765979 LFPALRRYNJIFJI-UHFFFAOYSA-N 425.299 3.267 0 50 IGAA NC(=O)c1cccnc1N1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)CC1 1506399218 LDPXUMWTGLOOHC-UHFFFAOYSA-N 440.887 3.114 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@@H]1c1ccccc1Cl 634260 UHMXRLDFZMJXCW-GANRHZMWSA-N 444.965 3.432 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 1133207 FIMXJKCGLWFHJA-UHFFFAOYSA-N 430.551 3.317 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccccc1Cl 9339676 OIQCDVGCXKYFCW-FYXHJSOBSA-N 428.897 3.045 0 50 IGAA Cc1cc(C(=O)N2CCC(Oc3ccc(C(=O)NCCc4ccccc4)cc3)CC2)n[nH]1 11819244 HVHRSDHFXIYJAE-UHFFFAOYSA-N 432.524 3.374 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 11882196 FJGYBDOILMIRHI-NUTRWHQKSA-N 445.567 3.496 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1)NCc1ccc(F)c(F)c1 12112389 YBWOCQATRYDYJC-INIZCTEOSA-N 441.482 3.045 0 50 IGAA CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)CN1CCCC1=O 15065601 IWTZCSVGOQTDSR-GOSISDBHSA-N 425.495 3.041 0 50 IGAA CC1=C(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)OCCO1 55308773 ZJGVZQOHKVLVAG-LJQANCHMSA-N 439.478 3.097 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)Nc1ccc(F)c(F)c1 169758068 NILACHXVGSZVIX-SFHVURJKSA-N 433.798 3.134 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C2=C1C(=O)OC2 169758135 IPKFXTYNVPSETA-QFIPXVFZSA-N 435.480 3.218 0 50 IGAA C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCCCN3CCCC[C@H]3C)cc2)C[C@@H](C)O1 240569342 GZSWWXAUPPBCSR-NJDAHSKKSA-N 444.620 3.390 0 50 IGAA CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)n[nH]1 242273719 YFKPVZVQCJMSNA-YVSFHVDLSA-N 447.605 3.476 0 50 IGAA Cc1c(C(=O)N2CCCN(c3nc4ccccc4s3)CC2)sc2[nH]cnc(=O)c12 1506398138 WPOILINIZGYBKD-UHFFFAOYSA-N 425.539 3.255 0 50 IGAA NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)O1 1875261446 CCGRKDVRNCCVRM-OKZBNKHCSA-N 439.409 3.266 0 50 IGAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 1875371469 BVBDHTJWXRTLQW-LJQANCHMSA-N 427.545 3.415 0 50 IGAA CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O 2325823700 BAQBPMAIHAMQAR-FFZOFVMBSA-N 444.915 3.228 0 50 IGAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1 2325889911 AQTSFDFBFCDROV-UHFFFAOYSA-N 437.462 3.385 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 917521 NXEGZWIILLRUAX-UHFFFAOYSA-N 435.465 3.493 0 50 IGAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 1063825 RFQICYUJQNOTJT-QGZVFWFLSA-N 429.542 3.024 0 50 IGAA COc1ccc(OC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 1128549 KYJRBWLBVIXTLG-OVKIHRCZSA-N 439.467 3.493 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1OC 8915338 VVCZJTICMGHIIA-ABSDTBQOSA-N 438.402 3.116 0 50 IGAA COc1cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)cc(OC)c1OC 9088248 LLZMDUPKZYHKIU-UHFFFAOYSA-N 443.529 3.032 0 50 IGAA CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 12306913 GVSQXPKLERFVKG-OAQYLSRUSA-N 429.996 3.302 0 50 IGAA CN(C)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 12308631 LYPNSDBSVBZNBO-NRFANRHFSA-N 449.599 3.129 0 50 IGAA CCc1c(C(=O)NCCc2ccc(OC)cc2)c(=O)cc(C)n1C[C@@H]1CCCN1CC 12451919 JPFFGIQWUYCYLV-FQEVSTJZSA-N 425.573 3.185 0 50 IGAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1ccccn1)CC2 14542299 QSXJBZRDIXOZAW-UHFFFAOYSA-N 429.524 3.301 0 50 IGAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]4CN(S(=O)(=O)N(C)C)CC[C@@H]43)cc2)cc1 23368148 XSXPYVQYZLBQJQ-PKTZIBPZSA-N 441.597 3.395 0 50 IGAA COc1cccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)c1 169777564 JBPSWHRWVIOJBD-UHFFFAOYSA-N 430.468 3.481 0 50 IGAA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 170625569 DUDKVRXQFALGJU-INIZCTEOSA-N 444.923 3.030 0 50 IGAA CCOC(=O)c1ncn(C2CCN(C(=O)Nc3ccc(C)c(OC(F)F)c3)CC2)c1N 253425071 OKZFCAJVXDILTO-UHFFFAOYSA-N 437.447 3.421 0 50 IGAA COC(=O)C1CCN(C(=O)[C@@H](OC(=O)c2cccc(OCC(F)(F)F)c2)C(C)C)CC1 770134687 NDUGFVGMGYTQAK-KRWDZBQOSA-N 445.434 3.221 0 50 IGAA CCOCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 802615176 KSZMMEQAWHVCLS-UHFFFAOYSA-N 440.548 3.142 0 50 IGAA O=C(N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cc2nn[nH]c2cc1F 817028072 ZRFBGPBYTJEEPL-DENIHFKCSA-N 436.418 3.417 0 50 IGAA CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC[C@H](CNC(=O)c3ccco3)O2)CC1 952983399 PWTRBKAJOVSYOD-LJQANCHMSA-N 442.560 3.278 0 50 IGAA COc1ccc(-c2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ncn2)cc1 1875357195 WMZATHMJUCVGPP-UHFFFAOYSA-N 446.916 3.308 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3nnc(-c4ccccc4O)o3)C2=O)cc1 937903 DOIQLQNYNDXUAT-INIZCTEOSA-N 439.449 3.043 0 50 IGAA CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc12 1122476 YGTXUABWHMYZKG-UHFFFAOYSA-N 434.448 3.348 0 50 IGAA CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)CC)S(C)(=O)=O 1141519 AHEKICCQAODYCH-MRXNPFEDSA-N 431.558 3.182 0 50 IGAA CCOC(=O)C1CCN(Cc2ccccc2OC[C@H](O)CN(C)C2CCCCC2)CC1 11770349 LJXWKRWFCPDBHV-HSZRJFAPSA-N 432.605 3.466 0 50 IGAA Cc1cc(C)n(CCC(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 12477721 CYHFQIBFNIRGFI-JOCHJYFZSA-N 443.611 3.332 0 50 IGAA Cc1ccc2ccccc2c1CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 15799889 LKSXDKWQXODMAS-UHFFFAOYSA-N 427.504 3.089 0 50 IGAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCN(CCC(N)=O)CC1 20599567 LXJCGZISGNSHLL-UHFFFAOYSA-N 439.510 3.119 0 50 IGAA O=C1CNC(=O)N1CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 229474132 JERSRHOYSUPENE-UKYPWNJISA-N 428.492 3.361 0 50 IGAA O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 242047962 VROVITOSNQCWAY-CYBMUJFWSA-N 443.356 3.226 0 50 IGAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCCCC2)cc1 890159 TWXBSGCKPOVUFL-JOCHJYFZSA-N 428.554 3.213 0 50 IGAA COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 1109185 QCJPKDMYHLRJDW-UHFFFAOYSA-N 444.597 3.380 0 50 IGAA COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1cc(OC)c(OC)cc1OC 1141228 BMXWOHBZXXXNMT-UHFFFAOYSA-N 431.485 3.168 0 50 IGAA COC(=O)[C@@H](NC(=O)CSc1nc(C)c(Cc2ccc(O)cc2)[nH]1)c1ccccc1 12372043 KOGNIHFTQKTBPJ-FQEVSTJZSA-N 425.510 3.137 0 50 IGAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2-c1ccccc1 12417755 XSRVFSNZEDTQRX-UHFFFAOYSA-N 445.450 3.399 0 50 IGAA CCN1CCN(C(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)[C@@H](C)C1=O 12612354 LSCKGNSOMAURIU-SFHVURJKSA-N 432.524 3.339 0 50 IGAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1nc3ccccc3n1C)CC2 14535015 AELCGEIDOALIMI-UHFFFAOYSA-N 428.540 3.078 0 50 IGAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2ccccc2OC(F)(F)F)c1=O 14962553 DKQOJENPKHSJEO-UHFFFAOYSA-N 439.434 3.083 0 50 IGAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCNC(=O)c1nc(-c2cccs2)no1 20352662 VHKBNOSWIFOKFJ-LBPRGKRZSA-N 434.905 3.073 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)CC1 53523292 GRJCJEHFVJBBLX-FQEVSTJZSA-N 433.556 3.307 0 50 IGAA COc1ccc(C(=O)OC[C@@H]2CCC(C)(C)O2)cc1S(=O)(=O)N1CCCCCC1 225393284 ISQODXOPOIWDIX-KRWDZBQOSA-N 425.547 3.374 0 50 IGAA CC[C@]1(C)NC(=O)N(NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1=O 225554461 WYBVZKQTTBINJW-SFHVURJKSA-N 433.262 3.002 0 50 IGAA C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](OCc2ccccc2)C1 1875341122 HEHXMVXANUXBOS-WMLDXEAASA-N 426.908 3.138 0 50 IGAA Cc1nn(C)c(C)c1CCC(=O)N=[S@@]1(=O)CCCN(c2nc3cccc(C)c3o2)CC1 2332239085 WDMDVDCBRPYEAC-WJOKGBTCSA-N 443.573 3.324 0 50 IGAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 1053454 STTHZJUMLUCUNG-RTBURBONSA-N 426.494 3.044 0 50 IGAA CCOc1ccc(N([C@H](C)C(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 2980556 JHKARZRIRPCRNO-QGZVFWFLSA-N 436.599 3.457 0 50 IGAA CC(C)Cn1c(CN(C)C[C@@H]2CCCCN2C)cnc1S(=O)(=O)Cc1ccccc1 22914095 LOAZHJVSILVART-NRFANRHFSA-N 432.634 3.429 0 50 IGAA Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCc2ccccc2C1 44803320 QGXPWKNNXXKGFJ-UHFFFAOYSA-N 449.576 3.382 0 50 IGAA COC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)cc1 239203474 SKVDKPAIMJETCO-WCSULOPVSA-N 448.519 3.024 0 50 IGAA COc1ccccc1-c1ccc(C(=O)O)c(N2CCC(N3CCC[C@H](CO)C3)CC2)n1 299760115 RPSDDZIXDMAZSB-KRWDZBQOSA-N 425.529 3.129 0 50 IGAA C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCOc2cccnc2)CC1 745820662 QKBRQSOGMIVVSG-INIZCTEOSA-N 433.350 3.311 0 50 IGAA CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 747147405 ZZUIIYKEBMRCKQ-AZOUXBGGSA-N 434.536 3.465 0 50 IGAA Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCc3nnc4ccccc4n3)c2)c1 798885761 PUHLDRDWFGJYRP-UHFFFAOYSA-N 434.477 3.491 0 50 IGAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 11843164 QXJAAGVXINRJEL-RUZDIDTESA-N 433.508 3.341 0 50 IGAA Cc1cc(C(=O)N(CCCN(C)C)CC2CCN(C3Cc4ccccc4C3)CC2)nc(C)n1 11879977 IDFVTXZDNHIBCS-UHFFFAOYSA-N 449.643 3.367 0 50 IGAA CC[C@H](NS(=O)(=O)c1ccc(OC)c(-n2cnnn2)c1)c1cc(Cl)ccc1Cl 12418855 GSEYYEAQSPKDOH-HNNXBMFYSA-N 442.328 3.407 0 50 IGAA Cc1cc(C(=O)N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 12471420 MMLQNRDVDBRUBF-QHCPKHFHSA-N 449.599 3.117 0 50 IGAA Cc1cc(C[C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(O)nn3C)n(-c2ccccc2)n1 448520459 NKKRIOWPEKAKIV-AWEZNQCLSA-N 430.512 3.406 0 50 IGAA COc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 1122196 SUROHTOTLJWIQS-UHFFFAOYSA-N 442.512 3.342 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(C)cc3)C2=O)cc1 2877441 VLMABJXDCNYIOH-SFHVURJKSA-N 426.494 3.176 0 50 IGAA Cn1c(CCNC(=O)c2ccccc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 9130670 FDCCAMNYBMNHPZ-UHFFFAOYSA-N 434.521 3.347 0 50 IGAA CC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 9600679 SCWKJNHVCPSDBA-AEFFLSMTSA-N 426.270 3.081 0 50 IGAA CN(Cc1ccccc1C(F)(F)F)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 55370409 OPABPWIQZUKOQO-INIZCTEOSA-N 431.480 3.116 0 50 IGAA CCOc1ccc(N2C(=O)C[C@@H](NCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 96054711 DFDPHQXJPPEZEL-XMMPIXPASA-N 435.568 3.262 0 50 IGAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cnc(C3OCCO3)s2)CC1 225638106 GNMQHPHHSLQGPQ-HNNXBMFYSA-N 427.530 3.117 0 50 IGAA CCOc1ccc(S(=O)(=O)N2CCN(c3ncncc3Cl)CC2)c2ccccc12 225831104 HBVAPGOXXFQJSS-UHFFFAOYSA-N 432.933 3.193 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 238900509 JBEVTSXUNAAXKV-KMDXXIMOSA-N 427.504 3.311 0 50 IGAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239025618 BWYKSWIFOBPEPC-DTDBQYNISA-N 432.542 3.070 0 50 IGAA C[C@H]1CN(c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)C[C@@H](C)O1 241439862 NMXWROZLTYVJFJ-RRZZWSPOSA-N 440.588 3.333 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 257371822 RPSDHZIBTGYTAW-OOOLTRJPSA-N 446.503 3.054 0 50 IGAA O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CC=C(c2cccc3ccccc23)CC1 446085384 YUZMFLBLEVMVDB-TZYAJKAJSA-N 441.531 3.446 0 50 IGAA COc1cccc(OC)c1OCc1nnn([C@@]2(C(=O)O)CC[C@@H](Cc3ccccc3)C2)n1 1875323063 VFSXUAZZXUKQGT-SBUREZEXSA-N 438.484 3.092 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2c(F)cccc2Cl)CC1 2100483097 QXQMHTNXWPHENK-UHFFFAOYSA-N 432.927 3.291 0 50 IGAA CC(C)N(C)C1CCN(C(=O)[C@H]2CCC[C@H]2C(=O)N2CCC(N(C)C(C)C)CC2)CC1 2325713249 AZZHYRDXDULWLV-ZRZAMGCNSA-N 434.669 3.065 0 50 IGAA CCOc1cc(N2CCC([S@@](C)(=O)=NC(=O)CCc3ccccc3F)CC2)ncn1 2332238482 AROWBEUIDLHVIW-SSEXGKCCSA-N 434.537 3.240 0 50 IGAA CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(cc(CO)c(C=O)c2O)O3)C1(C)C 2332918194 NBHMHKSBJDGUEU-VUNGMRGPSA-N 446.540 3.146 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 1141483 MZWNPZJPYLIETO-UHFFFAOYSA-N 427.320 3.153 0 50 IGAA COc1cc(-c2nnc3s/c(=C\c4ccccc4Cl)c(=O)n23)cc(OC)c1OC 1307118 BNLQJYUNMIUYSA-YBEGLDIGSA-N 429.885 3.045 0 50 IGAA CN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 2568242 BQBSHJUQVIWEFM-MRXNPFEDSA-N 447.384 3.279 0 50 IGAA in-vivo O=S(=O)(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccccc1 2694970 PCENFCHOOISHAQ-UHFFFAOYSA-N 437.568 3.272 0 50 IGAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(Cc1ccc(CN3CCCC3)s1)C2 14742699 OEHGYQNFNBDUNP-UHFFFAOYSA-N 427.618 3.308 0 50 IGAA COC(=O)c1sc2nc(CN3CCC[C@H](O)C3)ccc2c1NC(=O)c1ccccc1 15004094 JSIDILKILOOREB-INIZCTEOSA-N 425.510 3.292 0 50 IGAA CC(C)N(Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@@H]1CCC(=O)N1 20864467 JAGVTRREYWOPKL-KRWDZBQOSA-N 431.606 3.291 0 50 IGAA COc1ccc(I)nc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1 38534072 DWIGUBVOWDPBEV-NSHDSACASA-N 434.274 3.331 0 50 IGAA in-vitro CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 170593787 KPEPOZQNFQJHER-GOSISDBHSA-N 431.512 3.327 0 50 IGAA COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)cc1OC 170624010 KGYYVGJLJVXYHZ-JOCHJYFZSA-N 434.496 3.201 0 50 IGAA CN(C)c1nnc(-c2ccc(NC(=O)C(=O)Nc3cc([C@H]4C[C@H]5CC[C@H]4C5)[nH]n3)cc2)o1 426604947 LKWXWVPHDWAYLN-NOLJZWGESA-N 435.488 3.007 0 50 IGAA Cc1nccn1-c1ccc(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1F 461961861 WEHLXRCJMIVDTB-QFIPXVFZSA-N 426.467 3.149 0 50 IGAA COc1ccc(CCN2C[C@H](c3nnc(COCc4ccccc4)o3)CC2=O)cc1OC 1875256667 FUZJAQVFONEZKP-LJQANCHMSA-N 437.496 3.362 0 50 IGAA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)NC[C@@H]2CCCO[C@H]2c2cnn(CC)c2)cn1 2325816843 CPOFHQOOGNTWPL-MOXQZVSFSA-N 444.580 3.054 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)c2cn(-c3ccccc3)cn2)CC1)[C@H]1Cc2ccccc21 2332238507 BCBFEVCHLLBLFR-GFJKYASSSA-N 448.548 3.053 0 50 IGAA O=C1CN(C(=O)c2cccnc2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14542341 MQMFMHNGKZRQBD-XMMPIXPASA-N 447.510 3.333 0 50 IGAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 20598880 OZHAQTUFWUHKIP-XMMPIXPASA-N 443.551 3.318 0 50 IGAA COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@@H](O)CN1CCCCCCC1 20999752 PNVPCTQCYRYXNO-DEOSSOPVSA-N 445.648 3.229 0 50 IGAA O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 58133889 SAPAEMOEEPGPLO-JOCHJYFZSA-N 430.508 3.104 0 50 IGAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2cccc(Cl)c2)CC1 263615355 BYQFXHSJVZOMNU-HXUWFJFHSA-N 441.894 3.305 0 50 IGAA O=C(NCC[C@H]1NC(=O)c2ccccc2NC1=O)c1ccc2[nH]c3c(c2c1)CCCCC3 1775972363 XTZKNBOSMPILCZ-JOCHJYFZSA-N 430.508 3.307 0 50 IGAA C[C@H](Cn1cnnc1)NC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1875261939 QUHQOYPSDSYTDI-GCJKJVERSA-N 438.963 3.437 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(c3nc(Cc4cnc(C5CC5)o4)no3)CC2)cc1 2325850217 PRFSRUINJYSCKX-UHFFFAOYSA-N 444.513 3.103 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(-n3nc4ccccc4n3)cc2O)cc1 717762 WBGXBTUOTRRBCW-UHFFFAOYSA-N 437.481 3.194 0 50 IGAA CCOC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)sc(C)c1C 783540 SWTPNIUJQBLMNM-INIZCTEOSA-N 436.555 3.333 0 50 IGAA Cc1cc(I)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 851406 GCPXQGYFBNHNSC-UHFFFAOYSA-N 434.233 3.224 0 50 IGAA COc1ccc(Cl)cc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 893873 UTMSPNZRLYYHHN-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA CCCCOc1ccccc1/C=c1/sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O 1823628 ACZLHPMWLQDTPF-XAJRUKRBSA-N 435.505 3.390 0 50 IGAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 9236110 RUYIXDNUFIWDRH-UHFFFAOYSA-N 437.569 3.456 0 50 IGAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1=O 12246382 KHUPFGDZRIXDDJ-UHFFFAOYSA-N 441.919 3.173 0 50 IGAA COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccco5)CC4)c3C2=O)cc1 15003040 IPLQXTINTPQZSA-UHFFFAOYSA-N 431.492 3.407 0 50 IGAA COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)NC3CC3)n2C)cc1 16183089 GVLVNOVVNOAXJC-UHFFFAOYSA-N 437.525 3.114 0 50 IGAA O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCC2 225764484 FCMMJIAODKQJRQ-KJWYOANISA-N 432.542 3.116 0 50 IGAA O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 241774111 RNCOFEQGFWXHSI-OAHLLOKOSA-N 425.913 3.316 0 50 IGAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN(C)CCOc1ccc(Br)cc1)C2=O 252457560 RJJALPPZNKLOIW-QVDMIQRCSA-N 438.366 3.464 0 50 IGAA COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1OC 263616712 KEHKXJQLYSAZAH-GOSISDBHSA-N 449.555 3.158 0 50 IGAA COc1ccccc1[C@@H]1NC(=O)N(Cc2noc(CC3CCCCC3)n2)C2=C1C(=O)OC2 263616751 KIUHRPCVVYNYME-NRFANRHFSA-N 438.484 3.278 0 50 IGAA C[C@]1(O)CCCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 471070412 IBZIDCOVCYVSDA-SANMLTNESA-N 432.568 3.452 0 50 IGAA Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)Nc3cccc4c3COC4=O)CC2)c(C)c1 808907694 OUXVYWUONKZUJD-QGZVFWFLSA-N 437.496 3.117 0 50 IGAA OC[C@@]12CN(Cc3nc(-c4ccccc4)no3)C[C@@H]1CN(Cc1ccc(Cl)s1)C2 1772806827 KMBYYBKRTHCYEM-HRAATJIYSA-N 430.961 3.378 0 50 IGAA CCCc1nc(C)c(C(=O)N=[S@]2(=O)CCCN(C(=O)c3cc(OC)cs3)CC2)o1 2332238620 FVUOIXGVGQGQSR-LJAQVGFWSA-N 439.559 3.160 0 50 IGAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 2356147858 UCXJBENUWLWTIC-AREMUKBSSA-N 447.583 3.344 0 50 IGAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)ccc1O 8738829 LWOVCRSZSIPSCB-FQEVSTJZSA-N 427.457 3.075 0 50 IGAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CC3CC3)C2)c1 14532726 COAUCOKOMNPKDS-DEOSSOPVSA-N 436.552 3.294 0 50 IGAA COc1cccc(CCNC(=O)c2cn(CC3CCCCC3)cc(C(=O)N(C)C)c2=O)c1 14965390 TVXYCQOXGJSGLU-UHFFFAOYSA-N 439.556 3.112 0 50 IGAA Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1 14980533 SWGSMZOKDGPUKJ-LJQANCHMSA-N 434.544 3.189 0 50 IGAA CCCCNC(=O)c1c(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)nc(C)n1C 170617392 GQIUBZCJVIWARL-UHFFFAOYSA-N 436.431 3.217 0 50 IGAA CCCCCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1c(N)n(CCCC)c(O)nc1=O 242389676 ZZMYHIRVXIGZSD-RCCFBDPRSA-N 435.613 3.269 0 50 IGAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cccc(Br)c4)c3CO2)cc1 263616049 GROGQFNHKVZJTN-SFHVURJKSA-N 443.301 3.251 0 50 IGAA COc1ccc(-c2nn3ccn(Cc4nc(-c5ccc(C)cc5)no4)c(=O)c3c2CO)cc1 263616330 ICKAROHCBFGNLK-UHFFFAOYSA-N 443.463 3.071 0 50 IGAA CC(=O)N[C@@](C)(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(S(C)(=O)=O)cc1 430319972 NPVKQJIBCVJPRR-OAQYLSRUSA-N 443.550 3.204 0 50 IGAA Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c(=O)c1 442974715 RRIKOWBIMARMBH-JOCHJYFZSA-N 447.373 3.251 0 50 IGAA O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 1875323139 YQWHUYUTJJOESR-UHFFFAOYSA-N 446.912 3.368 0 50 IGAA O=C(NCc1cn(-c2ccccc2Cl)nn1)NCc1cn(-c2ccccc2Cl)nn1 2325703447 VMRSUKOIHDCAQN-UHFFFAOYSA-N 443.298 3.154 0 50 IGAA C[C@H](OC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)c1ccc2c(c1)CCC(=O)N2 2325747537 TUQMFPZPYAFATO-AWEZNQCLSA-N 434.423 3.290 0 50 IGAA CCOC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c3c(c(=O)oc2c1)CCCC3 630332 KIJILEWHGSWRGV-UONOGXRCSA-N 432.469 3.333 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 786439 NNOAIIDBGATZSX-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA CC(=O)c1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 1063948 FSRYDDWCCQRYDT-UHFFFAOYSA-N 443.294 3.196 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C 2349536 LVRZWCBTWGTUGF-UHFFFAOYSA-N 439.540 3.062 0 50 IGAA CCNc1nc(NCC)n2nc(SCC(=O)c3ccc(Br)cc3)nc2n1 4528711 ZSBZWABDULBICW-UHFFFAOYSA-N 436.339 3.120 0 50 IGAA O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 5608794 JNRHNGGTJOBXHL-XZOQPEGZSA-N 446.503 3.336 0 50 IGAA O=C1CC[C@@H](N2CCN(c3ccccn3)CC2)CCN1Cc1cc2c(cc1Cl)OCO2 11787577 DYVUQEFMUCXGLI-GOSISDBHSA-N 442.947 3.167 0 50 IGAA COc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 11874391 WEXPOYQYEVOEPK-HXUWFJFHSA-N 436.556 3.071 0 50 IGAA Cc1cc(CN(C)C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)on1 12190410 GIHSZXXOAJKHIV-NRFANRHFSA-N 449.429 3.210 0 50 IGAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1 12597591 FAESITWDVVZUIN-NRFANRHFSA-N 425.577 3.329 0 50 IGAA COC(=O)c1cc(CNC(=O)[C@@H]2CCCCN2C)cc(NC(=O)c2ccccc2Cl)c1 14999980 KLLDJTZSRKTGOC-FQEVSTJZSA-N 443.931 3.479 0 50 IGAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 32467543 IQACKSUNPLEURF-PRWBYUBPSA-N 445.500 3.368 0 50 IGAA O=C(CCCn1cnc2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 36353283 UXWAUCYADJEWKH-UHFFFAOYSA-N 425.916 3.340 0 50 IGAA COC(=O)[C@H](CC(=O)NC1c2ccccc2Oc2ccccc21)NC(=O)OC(C)(C)C 97756761 BSWVJYFKGQDQBL-INIZCTEOSA-N 426.469 3.454 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2)cc1 253497509 ZKCWDXWYHUSYGY-HZVDNRATSA-N 426.494 3.257 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)N2CCCc3cc(S(=O)(=O)N(CC)CC)ccc32)C1 1875264213 HGWDTORWMXLVKA-IBGZPJMESA-N 436.622 3.006 0 50 IGAA C=CC(=O)N1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)C3(C)C)CC1 1875371688 JDONUJMYOBYMJC-UHFFFAOYSA-N 434.562 3.492 0 50 IGAA COCCn1nc(C)c(NC(=O)C(=O)NCc2ccc(C)cc2OC2CCCCC2)c1C 2325704227 KBDOHHBTTWCHPL-UHFFFAOYSA-N 442.560 3.421 0 50 IGAA O=C(c1cccc(CNc2ncnc3c2cnn3-c2ccccc2F)c1)N1CCOCC1 2325776681 KTQSICPMEVDOHG-UHFFFAOYSA-N 432.459 3.039 0 50 IGAA NC[C@@H]1CN(C(=O)CCOc2ccc(Br)cc2F)CC[C@@H]1C(F)(F)F 2325862977 PCLNRSJNGUPLSP-PWSUYJOCSA-N 427.236 3.343 0 50 IGAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CN1Cc1cccnc1 2356168786 NRTKWGVBKDAMHC-LJQANCHMSA-N 444.535 3.002 0 50 IGAA O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1176380 OGELWRUQLAODIX-UHFFFAOYSA-N 444.940 3.405 0 50 IGAA Cc1nn(Cc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)c(C)c1Br 2801290 QWSZFLDDJBHCAY-UHFFFAOYSA-N 437.305 3.302 0 50 IGAA COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC 6190396 LGWSXYXIQNDVPT-IZZDOVSWSA-N 446.525 3.149 0 50 IGAA COc1ccccc1C(=O)N1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)Nc1ccccc1C 10059688 FIGDOCNLWXUSOK-QHAWAJNXSA-N 435.524 3.284 0 50 IGAA COc1cc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc2c1OCO2 11842815 ZUPBFKOJKCMSQZ-UHFFFAOYSA-N 435.484 3.105 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCc2ncccc2C)c1 12307616 LWMPRDJMJZFYDU-UHFFFAOYSA-N 437.540 3.151 0 50 IGAA Cc1nc2ccccc2nc1CN1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C 14537073 KIOCHVFLGCPOOE-UHFFFAOYSA-N 443.551 3.410 0 50 IGAA O=C(c1cccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)c1)N1CCOCC1 14963891 FFGTVRUOWXPTQF-UHFFFAOYSA-N 428.916 3.496 0 50 IGAA CCOc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 20782310 TXTQDVWZYINPET-QFIPXVFZSA-N 437.544 3.455 0 50 IGAA Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528169 AWSJBAFDQGHZMQ-UHFFFAOYSA-N 434.569 3.471 0 50 IGAA O=CN1CCCN(C2CCN(c3ccc(NC(=O)CCc4ccccc4)cc3)CC2)CC1 39455036 ODCIKCGFNFMPLW-UHFFFAOYSA-N 434.584 3.391 0 50 IGAA CCCCCCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21 299738266 PAHGBKGKXAIKTR-UHFFFAOYSA-N 443.525 3.187 0 50 IGAA COc1ccc2c(C)c(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)oc2c1 670434004 PJUBMYNAURVJPC-RMIBCPJUSA-N 431.536 3.047 0 50 IGAA O=C(CCc1ccc(O)nn1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857688928 NLIAKFJRYWWRQM-QFIPXVFZSA-N 438.572 3.213 0 50 IGAA CO[C@H]1C[C@@H](C(=O)N2CCN(C)CC2)CC[C@@H]1NC(=O)c1cccc(-c2ccccc2)c1 1857707183 HPLGKYYIBQOGCB-HJOGWXRNSA-N 435.568 3.041 0 50 IGAA CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1ccccc1-c1ccccc1OC)C2 1875256055 NSGUREJSYBNJED-UHFFFAOYSA-N 436.533 3.469 0 50 IGAA CCC[C@H](C)C(=O)N(C)Cc1ccccc1OCc1cn(-c2cncc(C(=O)O)c2)nn1 1875326872 PTDWJGNFIACZDL-INIZCTEOSA-N 437.500 3.334 0 50 IGAA O=C1C[C@@H](C(=O)N[C@@H](Cc2cc(Cl)sc2Cl)C(=O)O)c2ccc(F)cc2N1 2325823928 JAHPULITQVQROG-PWSUYJOCSA-N 431.272 3.432 0 50 IGAA Cc1nn(Cc2nnc(S)n2-c2cnn(Cc3ccccc3)c2)cc1Br 2808449 KPDNFCWSKRDAGI-UHFFFAOYSA-N 430.335 3.117 0 50 IGAA Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)c1 8588038 ORMAGRDHUIOUMC-CQSZACIVSA-N 432.527 3.078 0 50 IGAA Cc1cccc(CNC(=O)CN2C(=O)CCn3nc(-c4cn(C)c5ccccc45)cc32)c1 8609693 XFFDPPUXCQFLDT-UHFFFAOYSA-N 427.508 3.403 0 50 IGAA CC(C)Cn1cc(C(=O)NCc2cn3ccccc3n2)c(=O)c(C(=O)N2CCCCCC2)c1 12151180 LPGVBNSEDIGLNI-UHFFFAOYSA-N 449.555 3.098 0 50 IGAA CN(C)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 12384257 CUBJUDWTXZYSGW-YASKCIBGSA-N 447.572 3.476 0 50 IGAA COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)CN1CCSCC1 12458583 WMFHMCORGWAOTA-NRFANRHFSA-N 428.598 3.263 0 50 IGAA C[C@@H](CC(F)(F)F)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1 14746694 INSPLWXEXQMTCD-INIZCTEOSA-N 436.478 3.103 0 50 IGAA CCCCOc1ccccc1/C=c1\sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O 16213091 ACZLHPMWLQDTPF-KYYPIKSYSA-N 435.505 3.390 0 50 IGAA CCCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN(C)Cc3ccccc3)c2)CC1 23358148 XRUHQADZOBHKCD-XMMPIXPASA-N 441.616 3.095 0 50 IGAA COc1ccccc1OCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55212089 LSGDOQOEJKBRDJ-NRFANRHFSA-N 427.520 3.026 0 50 IGAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(Cl)cc1F 169752461 ZFQJDNZDBXXMKM-UHFFFAOYSA-N 444.825 3.226 0 50 IGAA COC(=O)CCN(C(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C)c1cccc(F)c1 225646429 OLGLFNYWTLWWOK-NRFANRHFSA-N 440.475 3.437 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cc(C)cc(C)c1 1066370 LTEMSJPFYVHLDN-FQEVSTJZSA-N 446.569 3.111 0 50 IGAA CCOC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 1423127 BTITVVXDZKHGFD-HXUWFJFHSA-N 442.493 3.387 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NCc3cccc(OC)c3OC)CCC(=O)N2)cc1 11908822 KHBHJVAHUGKDQL-XMMPIXPASA-N 426.513 3.000 0 50 IGAA C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)C2)C1 12211045 ULVXECYZSQRILH-UYAOXDASSA-N 446.551 3.353 0 50 IGAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2SC)C1 12430525 BXXFEHQDEDOQKJ-QGZVFWFLSA-N 428.554 3.465 0 50 IGAA COC(=O)COc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(C)C 12445224 ABRQCPRVMOQCRS-UHFFFAOYSA-N 446.569 3.181 0 50 IGAA COc1ccc(CN2C(=O)N(C)C3(CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 14536446 GMOQBFLYSADJBN-QFIPXVFZSA-N 433.552 3.481 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c(OC)c1 65363847 IIGGGSJTQSEJFY-KRWDZBQOSA-N 434.500 3.062 0 50 IGAA Cc1noc2ncc(C(=O)NC[C@H]3[C@@H](C)CCCN3C(=O)c3cnc4onc(C)c4c3)cc12 1875264749 UXRRQBRXFHSZHC-BUXKBTBVSA-N 448.483 3.047 0 50 IGAA CC(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C(F)F)c1)c1ccccc1 2325869635 WTHLLESYEIBCNE-UXHICEINSA-N 429.467 3.109 0 50 IGAA COc1ccc(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 893841 MQTVUKPEMKBZFB-GOSISDBHSA-N 430.570 3.331 0 50 IGAA COc1cccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 1099394 MXCXCUXVSRPMFZ-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA COc1ccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)cc1 1162581 FQVXNVKVRLHVDQ-GFCCVEGCSA-N 436.249 3.291 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(=O)N1CCCC1 12379770 HTCHKPTZYUOBOS-UHFFFAOYSA-N 433.555 3.404 0 50 IGAA CCOC(=O)Cn1cc(/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)c(-c2ccc(OC)cc2)n1 12413513 AUXXHBLTWXARDH-QPJJXVBHSA-N 448.401 3.394 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(Cc1cccc3nccnc13)CC2 14754163 FMXAXUOZOYDXFM-UHFFFAOYSA-N 428.496 3.005 0 50 IGAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N1CCOc3ccc(Cl)cc3C1)C2 23338614 YYDFHEWZGAGHOO-GOSISDBHSA-N 428.964 3.452 0 50 IGAA C/C=C(\C)CN1CC[C@@H](N2CCN(c3ccccc3OC)CC2)[C@@H](CCC(=O)OC)C1 23366951 AYGXMPPSNMOLLE-MBQNGLAOSA-N 429.605 3.427 0 50 IGAA COC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 100560664 LJJACJJQVXHZCK-INIZCTEOSA-N 432.885 3.130 0 50 IGAA COc1ccc(CCNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1OC 169765605 OZQOWEUUUKXCMF-UHFFFAOYSA-N 449.551 3.354 0 50 IGAA CCN1c2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2C(=O)N2CCCCC[C@@H]21 169765962 YRIIRILGMWZVDU-HSZRJFAPSA-N 433.556 3.226 0 50 IGAA CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@H](C(=O)c3ccccc3)N2c2ccccc21 245256847 UDCLCXHGTBVVFS-GPDNFFQDSA-N 442.515 3.324 0 50 IGAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccnc2)cc1OCC1(C)COC1 299776531 LXIQQWLOPPLJOX-HXUWFJFHSA-N 426.513 3.327 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)C1(N2CCCC2)CCCC1 299786441 UFFPJXRCRBXLRX-QFIPXVFZSA-N 426.605 3.120 0 50 IGAA CC(C)n1cc(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c2ccccc21 886025195 BZTGZHCJGMSJRG-OAQYLSRUSA-N 432.524 3.412 0 50 IGAA CSCC[C@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1c(O)nc2ccccc2c1=O 888090266 PBIJZICXXGDFNM-CQSZACIVSA-N 438.431 3.449 0 50 IGAA O[C@H](COc1cccc(Cl)c1)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1875320277 NXFKTWUAWWGJNG-INIZCTEOSA-N 434.874 3.056 0 50 IGAA N=c1[nH]n(C(=O)[C@@H]2CCC[C@@H](C(=O)n3[nH]c(=N)c4cc(F)ccc43)C2)c2ccc(F)cc12 1875350375 KDHAZWZDBMHUQN-VXGBXAGGSA-N 438.438 3.276 0 50 IGAA C=CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)(c2ccccc2)CC1 1875369626 ZDRAHCQPYVYHAC-SFHVURJKSA-N 429.561 3.104 0 50 IGAA O=C(/C=C/c1ccccc1)NC1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)CC1 1875378945 LGZZRWSKEJSKEJ-JLXBBBJOSA-N 438.911 3.242 0 50 IGAA COCc1ccc(CS(=O)(=O)NC(=O)c2ccccc2C(=O)c2cccs2)cc1 2325862064 HZXXXXGFGICHGQ-UHFFFAOYSA-N 429.519 3.385 0 50 IGAA O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1)Nc1ccc(F)cc1 2325874511 PGOJZXKODWNXDX-XLIONFOSSA-N 440.523 3.043 0 50 IGAA O=C(Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc(Br)c1 1143144 CKJYLWGFRFMBRG-HNNXBMFYSA-N 429.270 3.476 0 50 IGAA Cc1cc(Cl)ccc1OCCNC(=S)NC(=O)c1cncc(Br)c1 2121721 NYRDSBCEPAYIIU-UHFFFAOYSA-N 428.739 3.489 0 50 IGAA CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1CC 2359105 BWZSCHZJQCRMEX-VIFPVBQESA-N 432.283 3.065 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)CC1 8685515 HKSFCKVYCYWQNQ-UHFFFAOYSA-N 448.516 3.350 0 50 IGAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)CC1 12209638 FQZSZUKJBCQSBM-IBGZPJMESA-N 444.572 3.170 0 50 IGAA O=C(NCCN1CCCc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 12318093 YRJSBKFHNIPNRU-UHFFFAOYSA-N 444.495 3.017 0 50 IGAA CSCC[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O 13130294 VLIWHTWSSNJBDO-NAVNFMRLSA-N 432.929 3.433 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCCCC1 16649503 GCCDRKRXRKNLLF-UHFFFAOYSA-N 447.582 3.324 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1 20774633 SIHPPDWGBBQTLS-OAQYLSRUSA-N 449.599 3.264 0 50 IGAA CS(=O)(=O)c1cccc(Br)c1NCc1cccc(CN2CCOCC2)c1 225817777 XJOQFUVWUWJPTL-UHFFFAOYSA-N 439.375 3.297 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239338619 KVCGNHWBXWQDEU-FNIQBYOTSA-N 425.710 3.461 0 50 IGAA COC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 253370063 LNHUPPFBXPTIQK-DOMZBBRYSA-N 436.338 3.120 0 50 IGAA N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C(F)(F)F)cc1 253470671 YFRPINFUHMKOFL-UHFFFAOYSA-N 432.446 3.156 0 50 IGAA COc1ccc([C@@]2(CC(=O)N3CCCC[C@H]3c3ccccn3)CC(=O)N(C3CC3)C2=O)cc1 299755667 GNDXTNRFKKENIC-BKMJKUGQSA-N 447.535 3.393 0 50 IGAA CC(C)Cn1c([C@H](C)NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 888089214 OTYIKVMNNMDJOM-OXJNMPFZSA-N 447.539 3.400 0 50 IGAA CN(C)c1ncc(CN2CC[C@@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)n1C 952894661 SZWKTUUNYNWIHX-LJQANCHMSA-N 438.429 3.381 0 50 IGAA CCc1ocnc1C(=O)N1CCC2(CC1)OCCc1cc(O[C@H]3CCN(C)C3)ccc12 1857667954 SCLGAMLTWSKRKL-IBGZPJMESA-N 425.529 3.024 0 50 IGAA Cc1c(NC(=O)CN2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cnn1C 1857705866 YXHRQTAQYIINKY-JOCHJYFZSA-N 439.604 3.239 0 50 IGAA Cc1cnn(C2CCN(C(=O)C(=O)N[C@@H](COc3ccccc3F)C(C)(C)C)CC2)c1 2325726881 YLPYPSRSLHPHMW-FQEVSTJZSA-N 430.524 3.104 0 50 IGAA Cc1ccc2nc(C)cc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCCn3ccnc3)c2c1 11910287 BBTUCTHOWUTKIF-QFIPXVFZSA-N 445.567 3.497 0 50 IGAA Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(NCCCN3CCCC3=O)c12 12003276 RSMWPWYVKPSBLF-UHFFFAOYSA-N 441.532 3.493 0 50 IGAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C3)c1 12024807 RQOJARAVKGLFAP-XXBNENTESA-N 438.499 3.434 0 50 IGAA CCC[C@]1(C2CCN(C(=O)C(=O)[C@H](C)CC)CC2)NC(=O)N(CCc2cccs2)C1=O 12162529 LXNPBEZIYTVCAH-WAIKUNEKSA-N 447.601 3.235 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)NCc1ccccc1Cl 12588946 XLXMDPNMJIZHRM-GOSISDBHSA-N 433.980 3.378 0 50 IGAA Cc1nc(C)c(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)s1 14534459 FNTSOFURUHZSDQ-FQEVSTJZSA-N 442.585 3.357 0 50 IGAA COc1ccc([C@@H](C)NC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)N(C)C)c2)cc1 14536488 BNHPNBKJCOYAHH-OAHLLOKOSA-N 431.558 3.401 0 50 IGAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)Cc1cccnc1)CC2 14539521 QAZJODZLPBOBBH-IBGZPJMESA-N 436.556 3.340 0 50 IGAA Cc1cnc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 15070278 DTWLVHHWYWKFTP-LJQANCHMSA-N 433.478 3.231 0 50 IGAA COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@H](O)CN1CCCCCCC1 20454736 FXBWUZKBAWCAAQ-HSZRJFAPSA-N 433.637 3.227 0 50 IGAA COc1ccc(CNC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1OC 61717564 LYSFYLMGVZIELP-UHFFFAOYSA-N 429.476 3.397 0 50 IGAA COc1ccc(F)cc1CN1CCN(Cc2nc3ncc(Br)cc3[nH]2)CC1 170633297 XMTUFSYDQUBZJD-UHFFFAOYSA-N 434.313 3.186 0 50 IGAA Cc1ccc(C(=O)[C@H](C)OC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 239090932 HLUBXJFSDFLVPW-SVQCDIBKSA-N 435.520 3.475 0 50 IGAA C[C@H]1CCN(C(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c2ccccc2S1 241383424 MVFZSXAAMRHZNH-CABCVRRESA-N 431.583 3.003 0 50 IGAA CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 241401149 NBLWJBHRIAFWCC-LJQANCHMSA-N 447.557 3.110 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCC[C@H]3c3ccsc3)CC2)cc1 241588293 PBROKNQRNLRGII-RXVVDRJESA-N 447.626 3.115 0 50 IGAA COc1ccc(OC)c2[nH]c(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc12 409414563 MQYASAVVFJDAIJ-UHFFFAOYSA-N 425.485 3.148 0 50 IGAA COc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 479547505 RVLRMIMUGHYHFJ-UHFFFAOYSA-N 426.292 3.236 0 50 IGAA Cc1cc(NC(=O)CCSc2ccc3c(c2)OCCO3)ccc1NC(=O)CN(C)C 952978437 QLBVSLNLIIEMQD-UHFFFAOYSA-N 429.542 3.387 0 50 IGAA C[C@@H]1NC(=O)O[C@]12CCN(c1nnc(-c3n[nH]c4ccccc34)n1Cc1cccs1)C2 1875322587 XQBHIXPCXSTHMZ-ZSEKCTLFSA-N 435.513 3.008 0 50 IGAA NS(=O)(=O)c1sccc1CNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 1875324381 WJMAFANDAUIIDU-UHFFFAOYSA-N 431.470 3.273 0 50 IGAA C[C@@H](NC/C=C/CN[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(-n2ccnn2)cc1 2325723700 FYSNXQQONYMMLX-FMEUAVTJSA-N 428.544 3.406 0 50 IGAA CN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@@H](Cc1ccccc1)C(=O)O 2325851945 NQVDBAASGKQJDN-QFIPXVFZSA-N 442.471 3.251 0 50 IGAA COC(=O)C1=CN([C@@H](C(=O)OC)c2ccccc2)C=C(C(=O)OC)C1c1ccc(F)cc1 717954 UTKSLCIBCOUPDM-OAQYLSRUSA-N 439.439 3.253 0 50 IGAA CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Br 793019 MQCJWNAWLZTGQX-UHFFFAOYSA-N 425.348 3.410 0 50 IGAA Cc1nn(C)c(C(=O)NC(=S)Nc2ccc(I)cc2)c1Cl 1003214 VEGFBXSMWVGZTP-UHFFFAOYSA-N 434.690 3.113 0 50 IGAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1 1068307 GFQHYNGBJJHSEH-UHFFFAOYSA-N 446.532 3.491 0 50 IGAA Cc1ccccc1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCCN(C(=O)Cn1cccn1)C2 11782549 DIRDYBCFNUMHMH-OAQYLSRUSA-N 433.508 3.447 0 50 IGAA COc1ccccc1CCc1nnc(CCC(=O)NCCc2ccc(OC)c(OC)c2)o1 12003154 CVDMMIQOCHPRNO-UHFFFAOYSA-N 439.512 3.172 0 50 IGAA CCOC(=O)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12508590 OEWHAEBIMGYOJM-UHFFFAOYSA-N 445.523 3.378 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1ccc3cc[nH]c3c1)CC2 14535930 MMXLDCSLQHWWOE-UHFFFAOYSA-N 429.480 3.183 0 50 IGAA C[C@@]1(C2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)NC(=O)NC1=O 14974131 YYNNYDKFLZQETN-VWLOTQADSA-N 429.524 3.349 0 50 IGAA COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CC[C@H](C)C2 34872868 NOPDZLMLJITFPB-INIZCTEOSA-N 427.570 3.420 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)Nc1ccc(F)cc1F 169758032 BSWXKZKUBPKGIU-SFHVURJKSA-N 433.798 3.134 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cc(F)ccc1F 169764766 IBPORYSKJMNUSW-SFHVURJKSA-N 433.798 3.134 0 50 IGAA CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)[C@H]1CCNC1=O 225659741 UXAPNMBGSSGUPX-QHCPKHFHSA-N 439.519 3.497 0 50 IGAA C[C@@H]1C[C@@H](NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C 252480897 CGANAKFHMFTXPF-GIVPXCGWSA-N 431.577 3.182 0 50 IGAA O=C1CN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)CCN1 253415728 PSUKFZZVQIEBFH-KJBYIQSCSA-N 428.536 3.241 0 50 IGAA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254399119 DDNFNZMFXRMHIQ-XULSRKSJSA-N 432.557 3.290 0 50 IGAA CC(C)c1ccc(-c2cc(NC(=O)CNC[C@@H]3COC(=O)N3)n(-c3ccccc3)n2)cc1 1875257528 VKOKUGFAGMZHDI-LJQANCHMSA-N 433.512 3.299 0 50 IGAA CC(C)(C)OC(=O)N1CCO[C@H](CN2C(=O)CCN(CC3CC(C(C)(C)C)C3)C2=O)C1 1875387369 DTSUUHJYDXDHJH-ABHNRTSZSA-N 437.581 3.349 0 50 IGAA CCCC1(C(=O)N[C@H]2CCOC3(CCS(=O)(=NC(=O)[C@@H](CC)OC)CC3)C2)CCC1 2332238243 IWZYMICVAQNXFJ-DCFXPXHASA-N 442.622 3.204 0 50 IGAA C[S@@](=O)(=NC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 2332238889 PBWKVWZSYYSQMA-LHKYDNQVSA-N 444.597 3.078 0 50 IGAA COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)c(F)c1 19840296 IVCAATFGESQDBW-QHCPKHFHSA-N 427.564 3.372 0 50 IGAA CN(CCCCN1CCOCC1)C(=O)CCc1nnc(CCCCc2ccccc2)o1 19842480 XIHLXLJCIHAMLX-UHFFFAOYSA-N 428.577 3.138 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1OC 40282784 FBWNJICUXGRPQF-DHIUTWEWSA-N 431.492 3.326 0 50 IGAA COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 54147082 XIOLWLMALXDPBD-UHFFFAOYSA-N 443.914 3.321 0 50 IGAA O=C([C@@H]1CCCN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)C1)N1CCCC1 205300675 PZHNKPBYOPQTRG-OAHLLOKOSA-N 439.951 3.184 0 50 IGAA CO[C@]1(C)CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Cl)cc2)CC1 225435855 COTQRASSALSRJL-PKOBYXMFSA-N 449.038 3.158 0 50 IGAA CCc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239339251 LXAMYYDSLADNDR-JXFHEIOKSA-N 443.341 3.392 0 50 IGAA CN1CC[C@H](C(=O)Nc2cccc3cc(Br)cnc23)[C@H](c2cnn(C)c2)C1 849592865 RZMQANYQAUYBFB-IRXDYDNUSA-N 428.334 3.405 0 50 IGAA O=C(NCCCO)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 8720976 VYIXWGDCTGPOCU-BUFBROKXSA-N 429.314 3.275 0 50 IGAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 11873692 XSWKEVUBSGFVCF-UHFFFAOYSA-N 433.409 3.447 0 50 IGAA CSc1nnc(CNC(=O)c2ccc(N3CCCC3=O)cc2)n1-c1ccc(F)cc1 12048126 DFPDUJGDHHWOGS-UHFFFAOYSA-N 425.489 3.185 0 50 IGAA COc1cccc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14733623 GCVXVDKLNVCERJ-FQEVSTJZSA-N 440.588 3.009 0 50 IGAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 14748533 CRYXOKSQDKLMQU-UHFFFAOYSA-N 433.552 3.481 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CCN2CCCO2)CC1 14964477 RQOOANFUKMPYCO-XMMPIXPASA-N 429.605 3.242 0 50 IGAA CCOCCCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 16447910 ISHAYXBUQBMPOC-UHFFFAOYSA-N 448.629 3.463 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 18094128 FHTLLRSAJGDLNX-NRFANRHFSA-N 446.507 3.251 0 50 IGAA OCC[C@H]1CN(C2CCN(CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1 19642377 WSHGOYCXHALPAJ-SANMLTNESA-N 425.592 3.401 0 50 IGAA COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)cc1Cl 169779826 RVXYYLURRGZNQH-UHFFFAOYSA-N 440.931 3.480 0 50 IGAA COc1ccc2c(c1)nc(CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C)n2C 253419789 SFPABOHXNXGXNU-UZLBHIALSA-N 430.549 3.480 0 50 IGAA CC(C)(C)c1ccc(OCc2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1 951726870 MPSGQXSTYKDHMB-CQSZACIVSA-N 449.602 3.201 0 50 IGAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1875255753 UIPBRMIGGSVKND-GOSISDBHSA-N 444.539 3.265 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(S(N)(=O)=O)s2)cc1 1875262638 CRGBBWBMYUCOJE-IBGZPJMESA-N 444.578 3.334 0 50 IGAA Cc1cc(=NC(=O)[C@H]2CCN(C)C[C@H]2c2ccnn2C)[nH]n1-c1cccc(C(F)(F)F)c1 1875267128 GIZMTAJTXQZAQO-ZWKOTPCHSA-N 446.477 3.029 0 50 IGAA O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc(NS(=O)(=O)C2CC2)cc1 1875328359 NLKSNSSWRKBRBG-UHFFFAOYSA-N 425.510 3.068 0 50 IGAA COCc1cc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)[C@@H](C)c3ccccc3C)CC2)no1 2332238834 NQEABHHYPLHVQA-AZYRPFHASA-N 447.557 3.162 0 50 IGAA CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc(C)n(C)n1)C2 11790480 MEDVHWOLEQQDRF-UHFFFAOYSA-N 449.580 3.282 0 50 IGAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2cnc3ncnn3c2)cc1 12476258 DUAKNATYJJPISD-HXUWFJFHSA-N 429.528 3.344 0 50 IGAA CC(C)(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1 14742440 IBNNRQFXTMRVAX-FKBYEOEOSA-N 439.987 3.438 0 50 IGAA COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1 14994118 HYROXLPAZRQKBT-JOCHJYFZSA-N 448.571 3.257 0 50 IGAA COc1ccc2cc(CNC[C@H]3CCS(=O)(=O)C3)c(OCc3ccccc3F)nc2c1 14994326 CYHPFRSYWAWVHF-MRXNPFEDSA-N 444.528 3.486 0 50 IGAA COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 17098846 YDSYHZIGQNPHIS-WDEREUQCSA-N 434.495 3.454 0 50 IGAA O=C1C[C@@H](N2CCN(c3ccnc4cc(Cl)ccc34)CC2)C(=O)N1c1ccc(F)cc1 18220210 PNRKWAWREPVHMO-OAQYLSRUSA-N 438.890 3.481 0 50 IGAA CCCCOC(=O)COc1cc(=O)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 22014682 GNMJHTKTPQXJRO-UHFFFAOYSA-N 431.466 3.316 0 50 IGAA CC(C)(C)c1ccc(-c2nc(CN3CCOCC3)cc(CN3CCOCC3)c2O)cc1 22016435 VHCDBKOTYFJUMC-UHFFFAOYSA-N 425.573 3.416 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 32479655 RWTASJSSVGFTPQ-YMFQVDJJSA-N 435.549 3.250 0 50 IGAA CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F 95578650 XCFLWTZSJYBCPF-UHFFFAOYSA-N 443.401 3.291 0 50 IGAA in-vitro O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NS(=O)(=O)c1cccnc1 780292827 DSLKHNJTOBWUDX-UHFFFAOYSA-N 436.468 3.121 0 50 IGAA COc1cccc([C@@H]2CCN(Cc3cc4c(nc3OC)CN(C(C)C)C4=O)C2)c1OC 952988751 RZISGOQKTCPBNB-MRXNPFEDSA-N 425.529 3.461 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc(C(C)(C)C)cs2)C1 1857688176 WNVKZPKANZPLRW-YDIMBITNSA-N 448.677 3.270 0 50 IGAA Cc1nn(C2CCC2)cc1NC(=O)c1ccc(N2CCc3c(cccc3C(N)=O)C2)nc1 1875360495 BNDKEHSDOONYBQ-UHFFFAOYSA-N 430.512 3.225 0 50 IGAA CCc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)on1 2356136852 MIQXEOLYBVMHHX-SEONNTABSA-N 425.504 3.460 0 50 IGAA COc1ccccc1CNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 1170297 WZQSFANGEJCVBK-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1215043 YERULVNDORMQHU-VQTJNVASSA-N 425.481 3.450 0 50 IGAA COC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 2191918 MFUIUEQCPGQJSV-CQSZACIVSA-N 426.269 3.452 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccccc1Cl 2289413 FLESVFYJVDIDQD-LVSKKATPSA-N 438.936 3.452 0 50 IGAA O=C1c2cccc(N3CCN(CCCc4ccccc4)CC3)c2C(=O)N1C[C@H]1CCCO1 12727973 RAYUZAMPKHNJLD-OAQYLSRUSA-N 433.552 3.216 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1cccc(Cl)c1)C2 14748573 WXILDINJHPNUPJ-HXUWFJFHSA-N 445.007 3.355 0 50 IGAA CCN(CC)CCN(CC)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F 20599063 LKTOIRURLXSDHV-UHFFFAOYSA-N 438.613 3.416 0 50 IGAA Cc1nc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)nn1-c1c(Cl)cccc1Cl 1775988707 BIEDTFGUCXNUGQ-YOEHRIQHSA-N 438.359 3.241 0 50 IGAA COc1ccc(-c2ccc3c(O)nc(=O)n(CCc4ccc(OC)c(OC)c4)c3n2)c(O)c1 1857526394 DTYVTKLEZODIFE-UHFFFAOYSA-N 449.463 3.138 0 50 IGAA O=C(c1ccncc1F)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857699644 XIJIZBCRJBVZHE-LJQANCHMSA-N 425.504 3.459 0 50 IGAA O=C(N=c1[nH]nc([C@H]2CCCO2)s1)N[C@@H]1C[C@H]1c1c(F)cccc1Br 1875320261 MYCDNFXVJLZLDZ-GGZOMVNGSA-N 427.299 3.391 0 50 IGAA C[C@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1cccc(N2CCCS2(=O)=O)c1 1875334655 XZYRYXVBWGRGPI-KRWDZBQOSA-N 431.558 3.296 0 50 IGAA CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1Cl)NC(=O)C2 2325740513 HZYYHTROBSYXLB-CYBMUJFWSA-N 442.821 3.365 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccccc2I)CC1 2325786987 RUJPOOAUUQENIK-KRWDZBQOSA-N 438.309 3.379 0 50 IGAA CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819987 XCDYILNOTXZMEI-RBDMOPTHSA-N 428.554 3.439 0 50 IGAA CCc1nc(C)c(C(=O)N2CCC([S@](C)(=O)=NC(=O)c3nc(C)oc3C)CC2)s1 2332239133 XVXLPQCSISLFOC-LJAQVGFWSA-N 438.575 3.162 0 50 IGAA COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1 6530935 AXMIOSGJYTUHNK-UHFFFAOYSA-N 440.521 3.158 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ncn1 6532994 BBIVAVCFAWEIQZ-UHFFFAOYSA-N 442.541 3.441 0 50 IGAA Cc1csc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)n1 9235864 YJNGOZKMPYPUMN-UHFFFAOYSA-N 440.348 3.446 0 50 IGAA CN(C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)C(C1CC1)C1CC1 11790467 XGXDRTLWVIZCRU-AREMUKBSSA-N 449.526 3.455 0 50 IGAA CCOC(=O)N1CCC(N2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 12198366 GFCVCUBJRNZREO-UHFFFAOYSA-N 435.572 3.375 0 50 IGAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 12753161 MUYQWIWORDJTHP-MRXNPFEDSA-N 433.551 3.479 0 50 IGAA CC(C)CNC(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 14975110 WTBYUAAULGQTCO-IBGZPJMESA-N 431.577 3.256 0 50 IGAA Cc1nn2c(ncc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(Cl)cc1 40397716 DDEJVIHOEHLHCJ-UHFFFAOYSA-N 430.855 3.452 0 50 IGAA COCCn1c(CN(C)Cc2ncccc2C)cnc1S(=O)(=O)C1CCCCCC1 55036997 ZNZNCZGWCAEKCI-UHFFFAOYSA-N 434.606 3.361 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 77329700 AOFYOBUOTPGFNA-QHCPKHFHSA-N 444.553 3.222 0 50 IGAA CCOC(=O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nn1 83254138 JXCMPSVFEXIHEK-UHFFFAOYSA-N 449.486 3.253 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)cc1 100566996 JXWPNABMPCXMNW-RBQRDFNRSA-N 433.460 3.437 0 50 IGAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCCC3)c2c1 245255217 GEFJTHNVEMKIAF-JXXFODFXSA-N 425.485 3.385 0 50 IGAA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 248332807 JIQQEKSTGQDPMV-GSRZOBFVSA-N 435.911 3.388 0 50 IGAA COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 257499977 OBSYBRPAKCASQB-HJXMQHAFSA-N 432.469 3.000 0 50 IGAA in-vitro Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC1)C2 463533670 FLFPIVIZEHWAMG-MWTRTKDXSA-N 448.519 3.448 0 50 IGAA O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 484921383 VHEKKNKLQZYWMK-OFNKIYASSA-N 447.535 3.292 0 50 IGAA O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 495141910 RGHAZLAHUWGJJD-FFCLZYEISA-N 440.547 3.334 0 50 IGAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)cc1 1875373953 VXTXTAAGOFNURC-SFHVURJKSA-N 442.313 3.281 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(OC)c2OC)c(OC)c1 644380 UZYHFRIPDDOBLJ-IBGZPJMESA-N 443.525 3.153 0 50 IGAA O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccccc2F)CC1 702917 MCVPVHNAAPNEGI-UHFFFAOYSA-N 445.560 3.353 0 50 IGAA CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 780519 ZSVGBWACWCMHRA-UHFFFAOYSA-N 440.496 3.371 0 50 IGAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 1117671 NRMRHZHYCWAANQ-LLVKDONJSA-N 445.310 3.390 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 2849093 SCXRSLNFVPDCLE-UHFFFAOYSA-N 426.494 3.276 0 50 IGAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 2858143 GWYZETIPDFOFOD-UHFFFAOYSA-N 433.555 3.457 0 50 IGAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N2CCN(C3CCCC3)CC2)no1 12090808 RFJRITGQMMZWEY-UHFFFAOYSA-N 427.501 3.165 0 50 IGAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1ccco1)CC2 14542709 SQCCWDHRSRMXAT-UHFFFAOYSA-N 441.528 3.124 0 50 IGAA O=C(NC[C@H]1OCCc2ccccc21)c1cn(C2CC2)cc(C(=O)NC2CCCCC2)c1=O 14993454 DLGJLTAZIAUQSD-HSZRJFAPSA-N 449.551 3.290 0 50 IGAA CC1=C/C(=N\N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)S2)CC(C)(C)C1 15746669 YLXKJNWCJDIKFN-DTVDJLOLSA-N 428.514 3.423 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 36385752 VEKIIDFLXAIXRA-HSZRJFAPSA-N 439.604 3.010 0 50 IGAA COc1ccnc(N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 170614617 AJNNWLJFALCNSV-UXHICEINSA-N 448.489 3.049 0 50 IGAA O=C(Cc1csc2nc(-c3ccccc3)cn12)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225420186 MKFJPJYOCDXALO-AEFFLSMTSA-N 430.533 3.413 0 50 IGAA biogenic Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239433925 YTDGKRWSZHSWDY-QRADPCAZSA-N 443.499 3.139 0 50 IGAA C[C@@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 248382160 WBWKXFNDVWKBSK-UTKZUKDTSA-N 426.538 3.299 0 50 IGAA O=S(=O)(c1ccc(Br)s1)N1CCCN([C@H]2CCCSC2)CC1 252477791 VPCHUUJNNXJAEU-LBPRGKRZSA-N 425.439 3.103 0 50 IGAA COC(=O)c1ccc(C=c2sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 254498604 ZWBMFZWMODAJPA-UHFFFAOYSA-N 432.288 3.459 0 50 IGAA Cc1oc(-c2ccccc2NS(=O)(=O)N(C)C)nc1CNC(=O)CCc1cccs1 299792353 FJTVRPIWDYKBDY-UHFFFAOYSA-N 448.570 3.179 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)C1=O 772538790 AGHIIODSNURKDC-VBHAUSMQSA-N 439.515 3.451 0 50 IGAA CCOCCn1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cn1 1441721940 GACDPXGOZWYFTK-INIZCTEOSA-N 431.512 3.124 0 50 IGAA CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cnc3ccc(Br)cn23)cn1 1875352049 RLXLPGGABKBBKQ-UHFFFAOYSA-N 449.309 3.070 0 50 IGAA CC(C)(CC(=O)N1CCCC[C@H](Cn2cc(Cn3cccc3C(=O)O)nn2)C1)C1CC1 1875355719 OFMIMQNQNZAPID-KRWDZBQOSA-N 427.549 3.281 0 50 IGAA CCOc1cc(CO)cc(I)c1OCc1ccc(C(=O)O)cc1 8429984 LEZNIGFTXVRLBW-UHFFFAOYSA-N 428.222 3.459 0 50 IGAA CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 8912346 KWDPAUJNENPTOO-UHFFFAOYSA-N 434.992 3.413 0 50 IGAA CC[C@@H](C)CC(=O)N1CCC([C@@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 12213823 ZKYAODPCQOLDRS-VOIUYBSRSA-N 443.544 3.291 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCCn2cccn2)c1 12580488 SUHLEJLJLHBSAH-UHFFFAOYSA-N 426.561 3.498 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc(CC(C)C)[nH]n3)C2)cc1OC 15076328 AKCHYIFVAJTLBG-FQEVSTJZSA-N 428.577 3.405 0 50 IGAA CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 16475426 GPUHLWFSBAKKJN-QGZVFWFLSA-N 432.542 3.306 0 50 IGAA CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 16730724 JGXVNCFCVBSVGV-XMHGGMMESA-N 435.505 3.331 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCC2)cc1 17249525 NPKLVYLARJFKAG-UHFFFAOYSA-N 425.514 3.379 0 50 IGAA COc1ccc(C(=O)NCC(=O)OCc2ccc(Br)cc2F)cc1OC 39620576 HZDWBCAPSVQTLT-UHFFFAOYSA-N 426.238 3.079 0 50 IGAA c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOc1ccccc1O2 60138813 IVCXKIRZNUKYCZ-UHFFFAOYSA-N 448.512 3.333 0 50 IGAA CN1CCC(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 67621480 LXCJOSDLMKOXBO-UHFFFAOYSA-N 435.977 3.130 0 50 IGAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1C 239165006 NHUGWVFTIKMUQA-RCXABDAMSA-N 435.520 3.107 0 50 IGAA O=C(CN1CCC(F)(c2ccccn2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 241383447 MVKPOIZIPLOLQS-IBGZPJMESA-N 425.504 3.477 0 50 IGAA C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 248237233 FHOIQBUMBWRYPL-QXAKKESOSA-N 431.492 3.067 0 50 IGAA CCCc1cc(C(=O)N2CCC([C@@]3(CCC)NC(=O)N(Cc4ccco4)C3=O)CC2)no1 299771380 VZOZVTCLPGYTNF-HSZRJFAPSA-N 442.516 3.363 0 50 IGAA Cc1cccc(-c2cccc(C(=O)N3CCCN(S(=O)(=O)N4CCCC4)CC3)c2)c1 952973139 WMMUDPVTGRUVRF-UHFFFAOYSA-N 427.570 3.151 0 50 IGAA O=S1(=O)NC(CN2CCOC[C@@H]2c2ccc(C(F)(F)F)cc2)=Nc2ccccc21 2325862253 NYZBPYHMDDDMFV-MRXNPFEDSA-N 425.432 3.101 0 50 IGAA COc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(OC)cc3)n2)cc1 1124271 UYAAKIHTXFXEJT-UHFFFAOYSA-N 437.452 3.134 0 50 IGAA CC[C@@H](c1nc2ccccc2c(=O)n1CCCn1ccnc1)N1C(=O)c2ccccc2C1=O 2340981 KTYZROKVOSNJLP-NRFANRHFSA-N 441.491 3.431 0 50 IGAA CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 4867458 ZGPAESLFMJFLSL-FQEVSTJZSA-N 425.485 3.206 0 50 IGAA COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CN[C@@H]2CCS(=O)(=O)C2)c1 11841674 CDMBDLHGYXQWGE-QGZVFWFLSA-N 442.537 3.204 0 50 IGAA CSc1nnc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)n1-c1ccc(F)cc1 12047512 COCBAPCUIWWSRH-UHFFFAOYSA-N 439.516 3.228 0 50 IGAA Cc1ncccc1C(=O)N1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2ccn(C)n2)CC1 12217369 CJPAGAWPBZQWGA-XMMPIXPASA-N 445.567 3.359 0 50 IGAA Cc1ccc(OCc2c(C(=O)NC[C@H]3CCCO3)c(=O)cc(C)n2Cc2ccccn2)cc1 12245037 PVASWLWEXSSHAL-JOCHJYFZSA-N 447.535 3.396 0 50 IGAA COc1cc(CNCCCn2ccnc2)ccc1OC[C@H](O)CN1CCCCCCC1 12303042 SFFAQBGKDHLWDP-JOCHJYFZSA-N 430.593 3.077 0 50 IGAA Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)cc1)OCC3 12427969 SMTQLMBKTHDMEC-OAQYLSRUSA-N 437.883 3.184 0 50 IGAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N(CC1CCC1)C[C@H]1CCCO1 13636746 OROJTMYTGUNXSS-GOSISDBHSA-N 427.501 3.129 0 50 IGAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1OC 14752715 RHSXQABXPMGPHE-FQEVSTJZSA-N 448.567 3.298 0 50 IGAA COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)CC1 15078777 AUPJWMLOCFFBKC-XMMPIXPASA-N 437.584 3.196 0 50 IGAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 16487809 RGGZDGGBHJUEQA-HXUWFJFHSA-N 428.554 3.071 0 50 IGAA Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)s1 19147345 FFDAISVWVXKQRC-LJQANCHMSA-N 426.586 3.433 0 50 IGAA COc1ccccc1-n1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 19300692 NCFCQCRERGNBKE-UHFFFAOYSA-N 428.540 3.316 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)Nc1cc(F)ccc1F 169758047 LQGWDLBYEMDVOS-GOSISDBHSA-N 433.798 3.134 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)Nc1cc(F)cc(F)c1 169780814 YGUSNOZQPBFCPY-GOSISDBHSA-N 433.798 3.134 0 50 IGAA CCn1cc(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CCCC2)ccc1=O 225742342 YVAQPESAOUZTRS-UHFFFAOYSA-N 432.318 3.155 0 50 IGAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCc1nc(-c2ccccc2)cs1 334162260 RBLWGRGBHFPWQC-ABSDTBQOSA-N 430.599 3.195 0 50 IGAA O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 487327477 RNNDUIIVUSSQFB-UHFFFAOYSA-N 447.461 3.482 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCc3c(F)ccc(F)c3C2)C1=O 752481861 JBDAFKFXQZUBIY-RUZDIDTESA-N 449.457 3.470 0 50 IGAA O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 1875261067 ATUVPEKBKVQFHS-KRWDZBQOSA-N 442.527 3.421 0 50 IGAA O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1875265463 ZYJKPBBTIDJLKA-INIZCTEOSA-N 433.430 3.216 0 50 IGAA CC(C)(C)C[C@@H]1CN(C(=O)c2cnc3sccn23)C[C@H]1NC(=O)CCc1ccncc1 1875328458 SMEQTTHGEHUNGX-QZTJIDSGSA-N 439.585 3.417 0 50 IGAA CCc1cccc(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819783 PWJCCLMPAPGYLR-OXQOHEQNSA-N 428.554 3.226 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCO2 1056377 CIHYVMFRXMDDEI-UHFFFAOYSA-N 436.489 3.415 0 50 IGAA O=C(O)CCCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 2957021 WNMUKBSJFRXQQP-GHRIWEEISA-N 431.286 3.201 0 50 IGAA O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9191145 ZBFXIBQFYDGUMK-UHFFFAOYSA-N 426.460 3.218 0 50 IGAA CC[C@@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CCc2scnc2C)C1=O 11872097 MIMFEHQQXBBSDQ-QFIPXVFZSA-N 434.606 3.369 0 50 IGAA O=C(CCC1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1)Nc1ccc2c(c1)OCCO2 12458850 AQMOTMJBNCOZHL-HSZRJFAPSA-N 436.508 3.419 0 50 IGAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14741089 CYEXUYVEVBOJBX-UHFFFAOYSA-N 432.568 3.300 0 50 IGAA Cc1cnc(-c2cccnc2)nc1[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 14957392 WOQSMMRVEBHMCF-SFHVURJKSA-N 429.480 3.161 0 50 IGAA COc1cccc(CC(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)[C@H](OC)c3ccccc3)C2)c1 43641335 FERYSFQOADKJLH-UMXIMWEHSA-N 436.552 3.465 0 50 IGAA CCOC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1Cc1ccccc1 248318876 PJRBLJAPEKFTPH-YQVWRLOYSA-N 444.601 3.465 0 50 IGAA Cn1c([C@@H]2CCCCN2C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 253404041 HPXLZEMJUJSBGD-FPOVZHCZSA-N 445.523 3.158 0 50 IGAA biogenic Cc1cc(C)n(Cc2ccc(C(=O)N3CCc4nnc(Cc5ccccc5)n4CC3)cc2)n1 299759066 NAZASZKIVXBLDD-UHFFFAOYSA-N 440.551 3.429 0 50 IGAA Cc1nc2sc([C@H](c3ccsc3)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)n2n1 409413691 REJVJEAFEJEGIX-YEWWUXTCSA-N 439.566 3.237 0 50 IGAA O=C(c1ccncc1)N1CCC(C(=O)N2CCC3(CC2)OCCc2sccc23)CC1 2356144866 PLZLYBPHBHXFPF-UHFFFAOYSA-N 425.554 3.086 0 50 IGAA CCN1Cc2nnc(CCN3CCN(c4ccc(Cl)cc4)CC3)n2[C@@H](CC(C)C)C1=O 2356154893 ONEKXVFTINEBOM-FQEVSTJZSA-N 445.011 3.246 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 917294 OYJSDDFSTJOVRB-UHFFFAOYSA-N 427.448 3.175 0 50 IGAA COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 975969 SDKSLZYILJTHID-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA CC(C)c1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 1151292 JTCLOKBKDMUHAG-UHFFFAOYSA-N 433.549 3.064 0 50 IGAA COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 2339388 WFZZKQWSBAGNHE-UHFFFAOYSA-N 448.269 3.381 0 50 IGAA Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 9287097 TTYFGDDICCFMAU-QGZVFWFLSA-N 434.471 3.392 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCCCc2ccccc2)C4)cn1 12279647 GUGMBIDZCBLWQF-IBGZPJMESA-N 433.581 3.320 0 50 IGAA O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(c2ccc(F)cc2)CC1 12324685 LSQXGWMPQARHRY-UHFFFAOYSA-N 449.530 3.114 0 50 IGAA CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)O 12382002 WKLNMKJQUZVROS-XCMFGDQWSA-N 445.313 3.445 0 50 IGAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccccc1Cl 12413298 DAUIAXVACMIGCD-HNNXBMFYSA-N 440.930 3.216 0 50 IGAA Cc1nc(C)c(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)s1 14534458 FNTSOFURUHZSDQ-HXUWFJFHSA-N 442.585 3.357 0 50 IGAA CO[C@H]1CCCN(C(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)C1 20537222 VCBXJUOATDFGLI-FQEVSTJZSA-N 426.561 3.146 0 50 IGAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCN(C(C)C)CC3)c2C2CC2)n1 55326889 SMZZVDGGQZTWDK-UHFFFAOYSA-N 446.555 3.382 0 50 IGAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 100029668 FBVFZWUMDDXLLG-ROUUACIJSA-N 426.586 3.374 0 50 IGAA in-vitro Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)c1 169775814 QSUKJYJWNQZEBO-UHFFFAOYSA-N 429.524 3.276 0 50 IGAA CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1 170611401 YDLJIRXEHPGIIB-UHFFFAOYSA-N 439.541 3.219 0 50 IGAA O=C1N[C@@H]2CS[C@@H](CCCCC(=O)Oc3ccc(NC(=O)c4ccco4)cc3)[C@@H]2N1 170631523 YMLXVSORCNABIJ-HHXXYDBFSA-N 429.498 3.163 0 50 IGAA Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)cc1 239105258 IDCGOHWPCVBUIU-QYLOUYAGSA-N 447.531 3.333 0 50 IGAA CSc1cccc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)c1 247850561 RIQKUUCVEDMJGM-DQEYMECFSA-N 425.642 3.204 0 50 IGAA Cn1c([C@H]2CCCCN2C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 253404049 HPXLZEMJUJSBGD-TZIWHRDSSA-N 445.523 3.158 0 50 IGAA biogenic CS(=O)(=O)c1ccc(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1 476771755 WDIBNQNXAJPCHB-UHFFFAOYSA-N 448.903 3.462 0 50 IGAA Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H](c4nc(CC(C)C)no4)C3)CC2)c1 1506428176 NQIXVJMIPHRVFB-HXUWFJFHSA-N 425.577 3.105 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2cccc(Cl)c2)C1 1857688152 VTYUDTRRSIUSLN-JCTONOIOSA-N 434.024 3.212 0 50 IGAA COCCc1noc(CN2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)n1 1857702597 DNFWSLVNOFXJQJ-NRFANRHFSA-N 428.577 3.330 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NN2Cc3ccc(Br)cc3C2=O)CC1=O 2325819695 NFSFUPZLJJWKAN-BBRMVZONSA-N 442.313 3.046 0 50 IGAA COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1 1124521 UOMIMRKPJUDLFE-UHFFFAOYSA-N 433.313 3.270 0 50 IGAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1Br)OCO2 2478264 YCHLQJSMDAYPIG-INIZCTEOSA-N 425.279 3.491 0 50 IGAA COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)c2)c(OC)c1 4196077 RSKYRWYPOSHAMP-LGMZZFRSSA-N 436.464 3.092 0 50 IGAA CCc1ccc(CNC(=O)CCn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 8593167 MMOWRKASDRIAMJ-UHFFFAOYSA-N 429.524 3.468 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)Cc2ccccc2F)C1)N1CCN(c2ccccn2)CC1 11814261 YCLQYYWQNRZOLL-HXUWFJFHSA-N 438.547 3.131 0 50 IGAA C[C@@H](CNC(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12)Oc1cccnc1 11913556 WEIRLZZRKXSJNM-KRWDZBQOSA-N 443.507 3.325 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1 12597586 FAESITWDVVZUIN-OAQYLSRUSA-N 425.577 3.329 0 50 IGAA O=C1CN(C2Cc3ccccc3C2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 14541947 DYGJINMMCUPOHH-AREMUKBSSA-N 427.548 3.479 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N1CCC(Cc3ccccc3)CC1)C2 14742404 MMZGEXBSLLLSJZ-NRFANRHFSA-N 438.641 3.421 0 50 IGAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NCC1C3CC4CC(C3)CC1C4)C2 14748629 FFYNMQKVJNPKBC-GJBGWGSXSA-N 433.600 3.264 0 50 IGAA COc1ccccc1CCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccco2)C1 15000822 FRTZAMSMMLJWLP-UHFFFAOYSA-N 433.508 3.439 0 50 IGAA COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 16216857 VYKNTYNPHAHGKO-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 65363742 NNABYBAYFRLTFU-UHFFFAOYSA-N 441.923 3.295 0 50 IGAA COc1ccccc1CCC(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169770352 LJAUTAOQNUZRAV-UHFFFAOYSA-N 438.503 3.106 0 50 IGAA Cc1cc(=O)c(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)nn1-c1ccccc1 216132130 KJKKCNGKECPNKP-NRFANRHFSA-N 444.535 3.259 0 50 IGAA CN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)[C@H]1c1ccccc1 225409195 XZUDKYYJSBSKGJ-JPYJTQIMSA-N 434.521 3.492 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239439343 ZUGPJBNNTFSREC-DVBWKPSCSA-N 436.508 3.025 0 50 IGAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2cccc(Br)c2)CNC3=O)c1 263615594 DDEAHPQGZUPGGS-LJQANCHMSA-N 427.302 3.353 0 50 IGAA COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(Cc1cccc(Cl)c1)CC2 299764582 BBCCPIZNJQOPRO-UHFFFAOYSA-N 431.964 3.345 0 50 IGAA Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)[nH]c2c1 490352616 ACGPOYQDCSOSPT-QFIPXVFZSA-N 447.539 3.390 0 50 IGAA Cn1ccnc1CN1[C@H]2CC[C@@H]1C[C@]2(Cc1cscn1)C(=O)NCc1ccsc1 1704329707 BHFPKMILDCUOGY-LQWHRVPQSA-N 427.599 3.220 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2c[nH]c3ccccc23)C1 1857688131 VDXHKTNBYJPTFL-TVZXLZGTSA-N 438.616 3.040 0 50 IGAA CC(=O)NCCN(C(=O)N[C@@H](c1ccc(F)cc1)c1cccnc1)C1CCSCC1 1875252809 FQKLFSKGKKEGFV-NRFANRHFSA-N 430.549 3.353 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(S(N)(=O)=O)oc2C)cc1 1875257216 FFFTWMVQTHHRLF-OAQYLSRUSA-N 442.537 3.174 0 50 IGAA O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC(F)F)cc2)CC1 1875305990 OTPOXXZHUXHGTD-UHFFFAOYSA-N 428.432 3.467 0 50 IGAA Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cc2ncccc2s1 2325824090 OZPJNNNNHOKSFM-DOTOQJQBSA-N 425.558 3.284 0 50 IGAA O=C(O)C[C@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1nccs1 2325877099 IYMRBOVODJYOBA-MGPLVRAMSA-N 445.444 3.225 0 50 IGAA CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 6243943 HVJKZEDQMGPIAD-UHFFFAOYSA-N 427.320 3.398 0 50 IGAA COc1cc(CNCCOc2cccnc2)ccc1OC[C@H](O)CN1CCCCCCC1 11821107 XGFCAHWMMHINAT-JOCHJYFZSA-N 443.588 3.265 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCn2cncn2)O3)c1 11968075 PXJGDNRXIXTKTJ-QGZVFWFLSA-N 442.903 3.126 0 50 IGAA O=C(NCCCn1cccn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12575294 KDDGDPBNRNEWPH-UHFFFAOYSA-N 430.556 3.252 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 13617373 OMZZVFUQHSVKQX-FLFXDLLNSA-N 434.529 3.418 0 50 IGAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)c1 14988009 LVZRIZJIFZZIJB-SFHVURJKSA-N 449.555 3.153 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)cc2OC)c(OC)c1 17044540 DJKYNKBJHUHCCO-FQEVSTJZSA-N 443.525 3.153 0 50 IGAA CC(C)(CO)CN[C@H]1CCc2c(sc3ncn(CCc4cccc(F)c4)c(=O)c23)C1 19114101 UFYHKIUCAFFESO-KRWDZBQOSA-N 429.561 3.305 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)c(OC)c1 19171809 UTHAINCDNFRKQU-SGNDLWITSA-N 449.551 3.452 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC3(C=Cc4ccccc43)CC2)(c2ccccc2F)C1=O 299780894 AFBLWKJUBKKBPU-SANMLTNESA-N 432.495 3.430 0 50 IGAA CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 390834797 ZRXQCKBJCDXYNJ-BOCKYXSRSA-N 435.524 3.454 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1 409413228 FZNAWLRQUUNJGH-RJGXRXQPSA-N 443.636 3.049 0 50 IGAA biogenic CSCc1c(C(=O)N2CCC(C(=O)N3CCC[C@H]3C(N)=O)CC2)sc2ccccc12 1875260580 HITZIVZGWDFEMA-KRWDZBQOSA-N 445.610 3.093 0 50 IGAA O=C(CCc1ccccc1C(=O)O)N[C@@H]1CCC[C@@H]1Cn1cc(-c2cncs2)nn1 1875326867 PQDGPJIBDWLRGQ-NVXWUHKLSA-N 425.514 3.018 0 50 IGAA CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C3CCN(c4cccc(F)c4)CC3)cc21 2325737147 XEVWCCHOBMFWOI-UHFFFAOYSA-N 431.533 3.024 0 50 IGAA O=C(C(=O)N1CCC(Oc2cccc(F)c2)CC1)N1CCC(Oc2cccc(F)c2)CC1 2325816933 UBAFDGKDJQRPRW-UHFFFAOYSA-N 444.478 3.405 0 50 IGAA COC(=O)CCCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12049247 SHBIKYLGKOYBBL-NRFANRHFSA-N 434.552 3.389 0 50 IGAA NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccc4cccnc24)CCO3)C1 12079396 JGKKHNPABOEEGR-QFIPXVFZSA-N 430.552 3.327 0 50 IGAA CC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)C1 12100101 TVLFXEZAVHZREF-WXVAWEFUSA-N 446.547 3.410 0 50 IGAA O=C1CN(C(=O)c2ccccn2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14732871 PMCAFNPSOAOREY-HSZRJFAPSA-N 447.510 3.333 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cccc(F)c2F)C4)cn1 19745524 WHLKVCMUUHFLGB-HNNXBMFYSA-N 441.507 3.165 0 50 IGAA O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55072937 LDBYCUNBPOOPBX-FQEVSTJZSA-N 427.932 3.496 0 50 IGAA Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(Cc5ccsc5)CC4)c3C2=O)n1 64166246 BKTBSKHDYKZZTL-UHFFFAOYSA-N 449.580 3.180 0 50 IGAA COc1ccc2c(c1)C=C(CN1CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C1)CO2 104339317 ZIKAKBFEUDWMRN-HSZRJFAPSA-N 438.568 3.357 0 50 IGAA O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 225710865 GHZGUIAYFJOHKA-HXUWFJFHSA-N 433.556 3.342 0 50 IGAA CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCCO2)C1 252490852 LDAXNCGZERFVGQ-ROUUACIJSA-N 428.537 3.013 0 50 IGAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@]1(Cl)CC[C@H]2C1=CC(=O)OC1 257348119 BNZWEZZSPRSQEB-AZISAFBISA-N 438.948 3.030 0 50 IGAA COc1cccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(C3CCCCC3)CC2)c1 299766532 DYJNBJAJQMWCEX-HSZRJFAPSA-N 439.600 3.414 0 50 IGAA Cc1nc(-c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)[nH]c1C 751365348 VMKHYVPZNZOBDA-UHFFFAOYSA-N 438.553 3.176 0 50 IGAA CN1CCC(c2nnc3sc(-c4cccc(I)c4)nn23)CC1 823765992 OJNBRZGBDMHOIW-UHFFFAOYSA-N 425.299 3.267 0 50 IGAA COc1ccc([C@H](CC(=O)NCCCc2ccco2)c2c(O)n3ccccc3nc2=O)cc1 1776111378 RTQWBPUIHWJVFN-FQEVSTJZSA-N 447.491 3.273 0 50 IGAA CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 1875254198 ZAVRHRSDMYJEDE-ZWKOTPCHSA-N 439.528 3.376 0 50 IGAA Cc1cc(=NC(=O)[C@@H]2CCN(C)C[C@@H]2c2ccnn2C)[nH]n1-c1cccc(C(F)(F)F)c1 1875267125 GIZMTAJTXQZAQO-MSOLQXFVSA-N 446.477 3.029 0 50 IGAA CC1(C)c2ccccc2CCN1S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1 1875305153 JAPYPNUMFMGUHC-QGZVFWFLSA-N 447.626 3.102 0 50 IGAA Cc1ccc(C(=O)N[C@@]2(C(=O)O)C[C@H](O)C2(C)C)cc1-c1cn(CC2CCCCC2)nn1 1875353740 FGGVJLUKUMBZMW-GBXCKJPGSA-N 440.544 3.178 0 50 IGAA CCOC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OCC)cc2oc(=O)c3c(c12)CCCC3 630328 KIJILEWHGSWRGV-KGLIPLIRSA-N 432.469 3.333 0 50 IGAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(s/c(=C/c3ccco3)c2=O)=N1 4466779 FLGOPSPVCJCXOH-UBXANZILSA-N 445.500 3.368 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 8435314 RTLVPAJKTJTATR-VAUMWQJISA-N 430.529 3.463 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccccc4Cl)CC3)n[nH]c2=O)cc1 169780725 OZTKGXLOLBGUNF-UHFFFAOYSA-N 426.904 3.302 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cccc3[nH]ccc23)cc1 225423266 LIMICSYRSTVCAD-UHFFFAOYSA-N 429.542 3.236 0 50 IGAA CC(C)(CC(=O)N1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)s1 225829109 PWIRDIAAXWNBQF-UHFFFAOYSA-N 442.006 3.197 0 50 IGAA Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 229721330 BHFZDEZYDGGBES-OAGGEKHMSA-N 432.590 3.446 0 50 IGAA O=C(NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc2[nH]c3c(c2c1)CCCCC3 888090495 DHIWOVDBGSGZJE-QUCCMNQESA-N 444.579 3.448 0 50 IGAA CN(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)NC=N2 2325743051 VXGVAWJRATZZEA-UHFFFAOYSA-N 442.522 3.207 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)CC1=O 2325820061 ZAZVRJAXCYQXMK-JQWIXIFHSA-N 447.365 3.470 0 50 IGAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCCC[C@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325898043 QFNGXWTZGSQUCB-SFTDATJTSA-N 446.507 3.207 0 50 IGAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCCN[C@@H](c3ccccc3)CC(=O)NCCC2)c1C 2356161477 WWQSKYJHFVSOKO-OAQYLSRUSA-N 438.572 3.297 0 50 IGAA COc1ccc(NC[C@@H](O)Cn2cnc3cc(Br)c(Cl)cc3c2=O)cc1 638896 JMADAOIWHQIBOJ-GFCCVEGCSA-N 438.709 3.294 0 50 IGAA CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 846875 AGTFPNIXIAAVPG-GFCCVEGCSA-N 426.494 3.427 0 50 IGAA Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1 938777 LXWRYXPXXVCZEK-UHFFFAOYSA-N 434.587 3.435 0 50 IGAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1 1085810 AYWCGUONKJDNTG-CYBMUJFWSA-N 449.381 3.077 0 50 IGAA CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 9559807 UVQKFTQERRIKQC-AWEZNQCLSA-N 431.485 3.455 0 50 IGAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCCc2ccncc2)c1=O 11882154 LXSXQBIEWGMFKP-UHFFFAOYSA-N 426.561 3.038 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NCc3nc4c(s3)CCCC4)CCC(=O)N2)cc1 12035152 PNFRJGAARWENSQ-QHCPKHFHSA-N 427.570 3.318 0 50 IGAA CCN(Cc1ccncc1)C(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 12304513 OMRHERZRKHDIBF-UHFFFAOYSA-N 425.529 3.150 0 50 IGAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccccc1OC)CC2 14530988 BUCQVYLLQWHKAW-UHFFFAOYSA-N 433.552 3.481 0 50 IGAA Cc1nn(C)c(C)c1CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O 14952520 ZLQUDYZSZJWZJF-UHFFFAOYSA-N 441.576 3.020 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 20608467 RWTASJSSVGFTPQ-UBXANZILSA-N 435.549 3.250 0 50 IGAA CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)OCC)CC3)C2=O)cc1 100064196 KKQBYIZPDKJKCN-FQEVSTJZSA-N 431.533 3.052 0 50 IGAA O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 170591875 WOZUDADEUBLSJO-PXDATVDWSA-N 439.577 3.433 0 50 IGAA COc1ccc(Br)cc1C=c1sc2nc(-c3ccc(C)cc3)nn2c1=O 254844194 BMHYLALRDDWFJP-UHFFFAOYSA-N 428.311 3.445 0 50 IGAA COc1cccc(C2=NO[C@@H](C(=O)Nc3ccccc3C(=O)NCc3cccnc3)C2)c1 791551988 HDQXWARHBRONKQ-JOCHJYFZSA-N 430.464 3.152 0 50 IGAA CC(C)c1ccc(N2C[C@H](C(=O)NC3CCN(C(=O)N4CCCCC4)CC3)CC2=O)cc1 952967834 MIBQGTKJTWFHGX-HXUWFJFHSA-N 440.588 3.349 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)nn1-c1ccc(Br)cc1 1775988829 KXHKSNNUIJFUNW-VPWXQRGCSA-N 447.377 3.302 0 50 IGAA CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCc2conc2C(C)(C)C)c1 2325825625 XPIYCRNFUOOOAC-UHFFFAOYSA-N 445.335 3.390 0 50 IGAA COc1ccc([C@H]2C[C@@H](NC(=O)NS(=O)(=O)c3cccc(Br)c3)C2)cc1 2325841122 DJQLDLDSNIASMZ-OTVXOJSOSA-N 439.331 3.392 0 50 IGAA COC(=O)C1=CN([C@@H](CC(C)C)C(=O)OC)C=C(C(=O)OC)C1c1ccc(Cl)cc1 781675 FJJAXKFWHPMMGD-SFHVURJKSA-N 435.904 3.441 0 50 IGAA CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 792463 PTMLNBWWDNZQPZ-UHFFFAOYSA-N 429.561 3.137 0 50 IGAA COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccccc1C(F)(F)F 815797 ZRVIDQKGIWSTQT-ZDUSSCGKSA-N 425.403 3.397 0 50 IGAA C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 2875354 YOCAYQIJCSOFCQ-HNNXBMFYSA-N 449.960 3.369 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 8425239 UNUIPZQYUXCGRB-VOSMRYOYSA-N 432.545 3.415 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 9971513 HDKDGLWKTATOCP-UHFFFAOYSA-N 430.448 3.234 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CCn2cncn2)O3)c1 11968084 PXJGDNRXIXTKTJ-KRWDZBQOSA-N 442.903 3.126 0 50 IGAA CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@H](C)CC)ccc1-2 13381859 NFLOGLNDPANICS-GASCZTMLSA-N 436.599 3.411 0 50 IGAA Cc1nc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccn3)C2)cs1 14742071 CHJZZUGVXKUFEC-LJQANCHMSA-N 428.558 3.049 0 50 IGAA CCCOc1c(Br)cc(/C=C2/NC(=S)N(C(C)=O)C2=O)cc1OCC 16183986 PSAAEELRMWGLGG-MDWZMJQESA-N 427.320 3.241 0 50 IGAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1OC 16625146 BHOFYEQOBMPYAT-UHFFFAOYSA-N 439.493 3.108 0 50 IGAA O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2/C1=N/Nc1ccc2ccccc2c1O 33838206 HXCVORTXAHFAHC-QOCHGBHMSA-N 439.405 3.081 0 50 IGAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1Cl 169752432 OZKHTBJGSJZIQJ-UHFFFAOYSA-N 440.862 3.395 0 50 IGAA CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)C1 221900260 JQXMNVGJFYUWNI-VCBZYWHSSA-N 439.503 3.092 0 50 IGAA CCCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 230513144 NLBRGHJNEYKPMT-UHFFFAOYSA-N 446.569 3.409 0 50 IGAA Cc1c(C)[n+]([O-])c([C@H](c2ccsc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587569 IJIUNIAUSUNSMI-GOSISDBHSA-N 440.521 3.432 0 50 IGAA Cc1c(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)nnn1Cc1ccc(F)cc1 444391467 KNNNLFHYSOVLBI-UHFFFAOYSA-N 437.519 3.155 0 50 IGAA C=CC(=O)Nc1ccc(C(=O)N2CCC(O)(c3scnc3Br)CC2)cc1 1467547775 DHZFCFJWQIYDIE-UHFFFAOYSA-N 436.331 3.154 0 50 IGAA OC[C@@]12CN(Cc3nc(-c4ccccc4)no3)C[C@H]1CN(Cc1ccc(Cl)s1)C2 1772806830 KMBYYBKRTHCYEM-IIBYNOLFSA-N 430.961 3.378 0 50 IGAA O=C(NCCC(=O)N1CC[C@H](n2cc3ccccc3n2)C1)NC12CC3CC(CC(C3)C1)C2 1875258472 MDZIPKOXGOKTIJ-SKLOBRBISA-N 435.572 3.468 0 50 IGAA CC(C)([C@@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1)N1CCCC1 1875350513 QCQQTYZQFRTNPI-NRFANRHFSA-N 440.498 3.419 0 50 IGAA O=C(NCCCN1CCCC1)C1CCN(c2nccn3cnc(-c4ccccc4)c23)CC1 1875353538 XACROFNRJARGTF-UHFFFAOYSA-N 432.572 3.215 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccc(F)c(Cl)c2)CC1 2100544764 IWRNQTQHTFZYIV-UHFFFAOYSA-N 432.927 3.291 0 50 IGAA Cc1cncc(CC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)c4ccc5c(c4)ncn5C)C3)C2)c1 2325818069 XTJQWZITFROXOD-VXKWHMMOSA-N 445.567 3.220 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)CC1=O 2325820063 ZAZVRJAXCYQXMK-ZYHUDNBSSA-N 447.365 3.470 0 50 IGAA Clc1ccc([C@@H]2CN(c3[nH]cnc4nc(I)cc3-4)CCN2)cc1 2325840295 WVUNVLRGPZPBBX-ZDUSSCGKSA-N 439.688 3.318 0 50 IGAA COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 862378 BDGAXWVJXDWAQA-UHFFFAOYSA-N 445.324 3.275 0 50 IGAA CCOC(=O)[C@@H](C)Sc1nc2ccc(I)cc2c(=O)n1CC 2359107 BWZSCHZJQCRMEX-SECBINFHSA-N 432.283 3.065 0 50 IGAA COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)CN(C)C3CCCCC3)c(OC)c2)CC1 11874398 SUEQEBLCCOWLAJ-QFIPXVFZSA-N 448.604 3.084 0 50 IGAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NC3Cc4ccccc4C3)cc2Cl)CC1 12430236 CJAZSQPFKYQRLJ-UHFFFAOYSA-N 448.972 3.040 0 50 IGAA CN(CCCCN1CCOCC1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 12433458 FRJZJICCYFTJEJ-UHFFFAOYSA-N 449.599 3.151 0 50 IGAA COc1cc(Br)c(I)nc1I 14400979 GDIKLFGDHVQDIW-UHFFFAOYSA-N 439.816 3.062 0 50 IGAA in-vitro CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)CCc1cnccn1)CC2 14532222 IMMUIUDQNVYAFP-UHFFFAOYSA-N 447.539 3.000 0 50 IGAA CCn1cc(-c2cc(C(=O)N3CCN(Cc4cn(C)nc4C)CC3)c3ccccc3n2)cn1 19638701 SLAWBXQQBYJLQV-UHFFFAOYSA-N 443.555 3.118 0 50 IGAA COc1ccc(Br)cc1Cc1nnnn1CC(=O)N(C)[C@H](C)c1ccccc1 170617980 SLEZCZBNWMHKPD-CQSZACIVSA-N 444.333 3.255 0 50 IGAA CC(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 206233410 JSJDQHXTZIOJNX-OAQYLSRUSA-N 432.480 3.252 0 50 IGAA Cc1cc(=O)c2cc(Cl)ccc2n1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 218205246 ATJSSPXDJJPRCC-IBGZPJMESA-N 437.883 3.257 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@H]3CCCN4CCCC[C@H]34)C2=O)cc1 409413600 CNERGUVGRNBIAY-CEMLEFRQSA-N 440.588 3.348 0 50 IGAA COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)ccc1OCC(N)=O 467503492 PKEHKJWINODKHL-LJQANCHMSA-N 436.512 3.467 0 50 IGAA Cc1nccn1CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506399210 LDFHQZTVJRXXDW-ZDUSSCGKSA-N 429.901 3.316 0 50 IGAA Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 1875256777 NEHYPDZXACIWIU-JOCHJYFZSA-N 444.535 3.183 0 50 IGAA C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CNc1ccc(C(N)=O)cc1)OCCO3 1875257380 NXFNYPPVMXWITN-MRXNPFEDSA-N 435.524 3.384 0 50 IGAA Cn1c(C(=O)NCCN2C(=O)COc3ccccc32)c(Br)c2ccccc21 2325708506 ZVVIQZCIDGTJBR-UHFFFAOYSA-N 428.286 3.096 0 50 IGAA Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@H](N)c3ccc(F)cc3F)cs2)c1 2325851576 CSYHNDLVKZFVOU-KRWDZBQOSA-N 446.479 3.046 0 50 IGAA O=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2802877 XNCXMUBRBHBQAZ-JTQLQIEISA-N 434.386 3.422 0 50 IGAA COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 2889593 QHDPXHQBHCHUIP-UHFFFAOYSA-N 438.549 3.245 0 50 IGAA biogenic CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc(Br)cc1 2994658 OMOWAJNERQTWGG-UHFFFAOYSA-N 443.388 3.124 0 50 IGAA CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Br)c(Cl)c2)nc1N 9273481 MLNCCLCNKNSZOR-UHFFFAOYSA-N 445.726 3.382 0 50 IGAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCc3c([nH]c4ccccc34)C2)c1=O 11788255 INEIMIPFDZELFM-UHFFFAOYSA-N 432.524 3.393 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)c1cc(NC(=O)COC)c2c(c1)nc(-c1ccccc1)n2C 11880213 PDFZTIRLFWVDPJ-LJQANCHMSA-N 449.555 3.039 0 50 IGAA COc1ccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)c(OC)c1OC 11963554 MTOWRBFANLWKKH-QGZVFWFLSA-N 448.560 3.029 0 50 IGAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCc1ccccn1 12243134 QDVYRGPQYCKCID-DYESRHJHSA-N 441.959 3.490 0 50 IGAA Cc1ccc(F)cc1CN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14543456 RGQVSISNVHWFJX-HXUWFJFHSA-N 428.552 3.106 0 50 IGAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1nc2c(s1)CCCC2 14979112 BNMAKBAFWGMLMI-HSZRJFAPSA-N 441.553 3.039 0 50 IGAA CSc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCOCC1 16652207 XBLCICQEFLMQIK-UHFFFAOYSA-N 432.567 3.022 0 50 IGAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)c1 19640809 ARNPSQGRHKSSSQ-HNNXBMFYSA-N 444.513 3.465 0 50 IGAA CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 30690433 GFBKORZTTCHDGY-UWVJOHFNSA-N 443.638 3.471 0 50 IGAA fda Cn1cc(CN2CCN(c3nc4ccccc4o3)CC2)c(-c2ccc3c(c2)OCCO3)n1 55244578 KMEIONAQPAODEJ-UHFFFAOYSA-N 431.496 3.322 0 50 IGAA CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1 169772973 AILIRNMSDFZFAN-SECBINFHSA-N 449.334 3.292 0 50 IGAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 229960620 JCOYCMOSSRINSX-PWRODBHTSA-N 430.416 3.142 0 50 IGAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704327696 FUSYIEROVHXHRE-ZJSXRUAMSA-N 442.943 3.461 0 50 IGAA O=C(N[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cncc(N2CCCC2)n1 1875317705 AEKJHTAIXIXICY-INIZCTEOSA-N 434.327 3.309 0 50 IGAA Cn1c(CN2C(=O)CCN(C[C@@]3(c4ccccc4)CC3(C)C)C2=O)nc2ccccc2c1=O 1875329428 VPTSWRRJOSFDLC-AREMUKBSSA-N 444.535 3.456 0 50 IGAA CC[C@H](OC(=O)CCOc1ccc(Br)cc1F)C(=O)N=c1cc(C)o[nH]1 2325744367 NPWBPEDAWWHFEA-ZDUSSCGKSA-N 429.242 3.036 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1Cl 622896 OIQCDVGCXKYFCW-QMJOVRGKSA-N 428.897 3.045 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 811776 GSRCQNQDGLWHBR-UHFFFAOYSA-N 436.574 3.111 0 50 IGAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 829739 BHXZVBYZDWSPEI-UHFFFAOYSA-N 442.468 3.431 0 50 IGAA Cc1nn(CCc2nnc(-c3nn(C)cc3Br)o2)c(C)c1Br 2786276 GTQFAVNCMKNXGH-UHFFFAOYSA-N 430.104 3.051 0 50 IGAA Cc1ccc(NC(=O)c2cc(NC(=O)CCCC(=O)O)ccc2N2CCOCC2)cc1 6389321 RWESPUADCPFUCC-UHFFFAOYSA-N 425.485 3.277 0 50 IGAA Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cc1 12206425 ACAOXYBPJMLEDB-OAQYLSRUSA-N 434.515 3.417 0 50 IGAA COc1cccc(CCNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)c1 12744036 PMWIJXLJCOAYBZ-UHFFFAOYSA-N 426.513 3.066 0 50 IGAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1coc3ccccc3c1=O)CC2 14745865 KZTCMIJLXQORJT-UHFFFAOYSA-N 442.519 3.298 0 50 IGAA COc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)c(C)c1C 19227528 CMSPPSKWMRXONZ-FQEVSTJZSA-N 428.602 3.398 0 50 IGAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)NCCn3nc(C)c(Cl)c3C)c2n1 20602213 WUPXJJRRANPKSV-UHFFFAOYSA-N 428.846 3.350 0 50 IGAA Cn1cnnc1Sc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)o1 22914546 KADIWMMZSIGWCK-HXUWFJFHSA-N 438.601 3.346 0 50 IGAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(Cc3ccccc3)CC1)C2 23353983 YPKIDNVMVZXIAI-JOCHJYFZSA-N 435.616 3.111 0 50 IGAA O=C(OCc1ccccc1)c1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O 97447437 XEKFLBQFLQCUBK-UHFFFAOYSA-N 426.472 3.464 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)n[nH]c2=O)cc1 169779254 SVYZVUWMUOUPKL-UHFFFAOYSA-N 444.894 3.441 0 50 IGAA NC(=O)[C@@H]1CCCN1Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 170609139 GYWJPKJGHGMRSI-KRWDZBQOSA-N 428.341 3.244 0 50 IGAA O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1 218456124 FDTXHWQFIXYHCL-QGZVFWFLSA-N 433.903 3.263 0 50 IGAA CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)C[C@H]1COc2ccccc2O1 230088868 DUCHCZIBFCFRDK-LIRRHRJNSA-N 449.429 3.065 0 50 IGAA COc1ccc(-c2csc(N3N[C@](O)(C(F)(F)F)C[C@]3(O)C(F)(F)F)n2)cc1 248182696 FMUWWGPOOLVBIH-OLZOCXBDSA-N 429.342 3.035 0 50 IGAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCc1nc(-c2ccccc2Cl)no1 252539176 NVPSGWYOSIFLDY-MRXNPFEDSA-N 439.859 3.187 0 50 IGAA O=C1CCc2ccc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)cc2N1 257198781 IBWLJIVHSUCLKY-XOKJFZFGSA-N 435.568 3.372 0 50 IGAA biogenic CN(C)c1ncc(CN2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)n1C 952891706 BQEJQLIHFBKHEF-IBGZPJMESA-N 438.429 3.381 0 50 IGAA COC(=O)c1nc(-c2ccc(C)cc2)oc1S(=O)(=O)n1nc(-c2ccccc2)cc1N 1775964974 OFCYXNDCLXMYLG-UHFFFAOYSA-N 438.465 3.119 0 50 IGAA O=C1NCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CCN1CCOc1cccc2ccccc12 1776003411 NQXBPQYFEQIBQZ-DNQXCXABSA-N 443.547 3.070 0 50 IGAA O=C(CSCc1coc(-c2ccc(C(F)(F)F)cc2)n1)NC[C@H]1CCS(=O)(=O)C1 1875253277 LHQITZKPMAYQOD-GFCCVEGCSA-N 448.488 3.145 0 50 IGAA O=C(NC[C@H]1CCCC2(CCC2)O1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301659 OMMYRYSETUVFPU-SJORKVTESA-N 441.450 3.482 0 50 IGAA O=C(N[C@@H](CNC(=O)[C@H]1CCCc2nc[nH]c21)c1ccc2ccccc2c1)c1cccnn1 1875361544 VBIFUDAUCKRNBV-UGKGYDQZSA-N 440.507 3.060 0 50 IGAA O=C(c1cc(=O)c2ccc(F)cc2o1)N1CCC[C@@H](N2CCN(C3CCCCC3)CC2)C1 2325719774 JBDHEFUHZZPCQP-HXUWFJFHSA-N 441.547 3.487 0 50 IGAA C[C@H](NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1nnc(-c2ccccc2)s1 2325852465 HAVZCOICLVDXHO-WDEREUQCSA-N 433.584 3.047 0 50 IGAA COc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 971907 RGYQWCIJMSHBFM-QFIPXVFZSA-N 443.455 3.329 0 50 IGAA COc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1 982385 SYJRNPNZKCSVKM-QGZVFWFLSA-N 431.539 3.405 0 50 IGAA CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[C@H]1CCCO1 1071206 JRWYFCSVHUGWGD-SGANQWHYSA-N 430.460 3.038 0 50 IGAA COc1cc([C@@H]2CC(=O)NC(C)=C2C(=O)OC(C)C)c(Br)c(OC)c1OC 1085834 SQABHXFPYWKQBA-NSHDSACASA-N 442.306 3.304 0 50 IGAA biogenic,in-vitro COc1cc(C(=O)NCCOc2ccc(F)cc2)c(Br)c(OC)c1OC 2839667 NBUGCNQKHICBRC-UHFFFAOYSA-N 428.254 3.423 0 50 IGAA COCc1cc(C)nc2sc(C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)c(N)c12 6429570 LRUZRWWHEODNII-UHFFFAOYSA-N 443.481 3.159 0 50 IGAA O=C(NCc1ccccn1)C1CCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 11666198 VYHBTGMLRALOII-UHFFFAOYSA-N 440.975 3.368 0 50 IGAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1OC 11859256 WLLPRYOIDRRSSP-ABSDTBQOSA-N 438.402 3.198 0 50 IGAA CCc1cc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)no1 11998614 HCQNMNMLHUYMHX-UHFFFAOYSA-N 437.500 3.318 0 50 IGAA CCOC(=O)[C@@H]1CCCN(Cc2nc(N3CCCC3)c3cc(OC)c(OC)cc3n2)C1 12155730 ZQDMUVQFXJJYMN-MRXNPFEDSA-N 428.533 3.022 0 50 IGAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)nn1 12281572 VYCRBBSYGMIZQW-QZGUCNERSA-N 427.593 3.215 0 50 IGAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1Cl 12718596 BLUILVFLLLGNLK-MRXNPFEDSA-N 433.940 3.378 0 50 IGAA O=C(c1cc(-c2cccs2)cc(-n2cnnn2)c1)N1CCN(Cc2ccccc2)CC1 15005313 HGUWLSFTLGOZBH-UHFFFAOYSA-N 430.537 3.349 0 50 IGAA O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(S(=O)(=O)c2ccccc2)CC1 16606484 CBOQNCLESRAMKM-UHFFFAOYSA-N 428.539 3.245 0 50 IGAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 16926480 MVIRKHQTPUUYIN-UHFFFAOYSA-N 431.377 3.026 0 50 IGAA COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O 169758062 YGAQQVWRNSWLGH-FQEVSTJZSA-N 441.871 3.173 0 50 IGAA CN(C)c1cccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778061 GBVWLWQUYCRWKB-IBGZPJMESA-N 429.484 3.148 0 50 IGAA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2ccccn2)cs1 170625593 XQKMCAGIFSWYGD-HNNXBMFYSA-N 441.900 3.308 0 50 IGAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)C1 245276855 XWGPSZXPTCQYHK-VWKPWSFCSA-N 430.526 3.132 0 50 IGAA aggregator O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 463086676 JBNQAFUGSJDTDN-PCCBWWKXSA-N 446.469 3.395 0 50 IGAA O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(CN2CCCCC2=O)cc1 921153125 GUYMFQKDSOOTDH-QHCPKHFHSA-N 439.531 3.142 0 50 IGAA O=C1CN(C(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)CCN1Cc1ccc2c(c1)OCO2 952986913 GWOFTUQZUDJZJE-LJQANCHMSA-N 431.492 3.188 0 50 IGAA COc1ccc([C@H](O)[C@H]2CCCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 1875264785 UWDPSDFTIMEFDA-QUCCMNQESA-N 433.434 3.388 0 50 IGAA CCCC[C@H](C(=O)N[C@@H](CO)c1ccc(-c2ccccc2)cc1)N1CCCS1(=O)=O 1875344010 BLZIXGVBAFGAGN-FCHUYYIVSA-N 430.570 3.098 0 50 IGAA O=C1CN(C(=O)c2ccc(NC(=O)c3cccc(-n4cncn4)c3)cc2)c2ccccc2N1 2325733636 OLPLXMYVSAXORL-UHFFFAOYSA-N 438.447 3.119 0 50 IGAA O=C(CN1CC[C@H](O)C12CCCCCC2)N1CCN(Cc2c(F)cccc2Cl)CC1 2325826463 BVOBSFUUYMESGI-NRFANRHFSA-N 437.987 3.283 0 50 IGAA CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325895574 DMRXSIOHFIRDMG-RTWAWAEBSA-N 445.519 3.061 0 50 IGAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 706355 VSPNKNNRXKIFLM-GOSISDBHSA-N 432.860 3.434 0 50 IGAA NC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 1155603 DRJNBWJGZIXCLQ-UHFFFAOYSA-N 429.885 3.492 0 50 IGAA O=C(CN1N=N[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]21)Nc1ccc(Cl)c(Cl)c1 2787026 XBPZIWHYAFPQHH-CVEARBPZSA-N 436.230 3.064 0 50 IGAA COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 2858849 ACSBPDKLUGRVEB-UHFFFAOYSA-N 443.447 3.252 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3ccccc3OC)cc2)CC1 11842936 HJYAQJJDMKJAAH-UHFFFAOYSA-N 426.513 3.032 0 50 IGAA COc1ccccc1OCC(=O)N1CCC2(CC[C@H](CNC(=O)C3CCCCC3)O2)CC1 11972358 PMYREDUEEFBIOE-HXUWFJFHSA-N 444.572 3.311 0 50 IGAA Cc1occc1C(=O)Nc1cnn(CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1 12570733 LPLACMJACMJWAT-UHFFFAOYSA-N 426.448 3.246 0 50 IGAA Cc1c(CN2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC(C)C)cnn1C 14744358 XHWSEBRTOYPCDS-UHFFFAOYSA-N 449.599 3.151 0 50 IGAA O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC[C@@H]1CCCO1 16651892 LVFQMDZWFCARIA-FQEVSTJZSA-N 428.554 3.056 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(NC(C)=O)c3)C2)CC1 55576246 CHJNPCKROFAFMH-JOCHJYFZSA-N 436.556 3.080 0 50 IGAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3Cl)C3=C2C(=O)OC3)cc1 169757983 KMSKIQBOYHPFGR-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C2=C1C(=O)OC2 169758131 HGBSHWDPGFMRFT-FQEVSTJZSA-N 441.871 3.255 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(C(=O)NCCN2CCOCC2)cc1 225513034 ODCJGOGSHFXVPH-UHFFFAOYSA-N 433.556 3.163 0 50 IGAA CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 229369983 ISFVIRXBOPZVPM-PZJWPPBQSA-N 436.556 3.099 0 50 IGAA C[C@H]1CN(C[C@H]2CCCN2CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@@H](C)O1 229655763 MOVRQWLGYIFOQN-XQBPLPMBSA-N 437.588 3.262 0 50 IGAA CCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1C[C@@H](OCC)C12CCCCC2 230160383 JXKHJAIEPFCSNA-WOJBJXKFSA-N 437.606 3.112 0 50 IGAA O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)Nc1c[nH]nc1-c1nccs1 446386557 PBENSLMRMVPJLY-INIZCTEOSA-N 432.937 3.382 0 50 IGAA O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 746252182 RJSNFTOFRLXPHY-QZTJIDSGSA-N 447.557 3.243 0 50 IGAA COc1ccccc1[C@H](CNC(=O)[C@](C)(O)C1CCC1)NC(=O)[C@@H](F)c1ccc(F)cc1 1875344447 LAOGAQJLOXBGPV-ZCVJKFOLSA-N 446.494 3.370 0 50 IGAA CCNC(=O)COc1cccc([C@H](C)NC(=O)NCc2ccccc2-c2cnn(C)c2)c1 2325707368 ZRBUPLBQJYBJGG-KRWDZBQOSA-N 435.528 3.162 0 50 IGAA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCOCC1 628363 ZWMOZFICZUWWQB-UHFFFAOYSA-N 441.578 3.277 0 50 IGAA Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 2135602 YLDNFGOAYDKJMZ-UHFFFAOYSA-N 432.552 3.379 0 50 IGAA COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(=O)NC(C)(C)C 6492377 FZLWTEVTMJNVEP-UHFFFAOYSA-N 432.908 3.424 0 50 IGAA COC(=O)c1cc(CNC(=O)c2ccnn2C)cc(NC(=O)c2ccccc2Cl)c1 11968547 WFVLWJWLJIRVPR-UHFFFAOYSA-N 426.860 3.042 0 50 IGAA COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)c1 12291633 OFABUOFVAURICK-MPGHIAIKSA-N 428.794 3.453 0 50 IGAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 17100729 FPSLHKGMMOTBJV-UHFFFAOYSA-N 436.599 3.068 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)cc2)cc1 101877895 DKCRLGKADKVTAO-HQAQVQPGSA-N 445.471 3.437 0 50 IGAA Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)c1C 229575050 LSARCXOTFHRBAO-LIXHSBQKSA-N 440.632 3.191 0 50 IGAA O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1)c1ccccc1 239173575 OFCMGCBKKRKOQT-PWCQDKJGSA-N 427.456 3.284 0 50 IGAA COc1cccc(-c2cc3n(n2)[C@H](NCc2cccc(Br)c2)CNC3=O)c1 263615593 DDEAHPQGZUPGGS-IBGZPJMESA-N 427.302 3.353 0 50 IGAA CCn1cc(CN2CCOc3ccc(CN4CCCC[C@@H]4C(=O)OC)cc3C2)c(C)n1 299770229 ODWHHHCKWLEIST-JOCHJYFZSA-N 426.561 3.134 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1 437205275 GCDLOFHFNSGARN-IBGZPJMESA-N 447.626 3.051 0 50 IGAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2cn3c(n2)CCCC3)cc1 799586243 GNTURZNQVRIZHZ-UHFFFAOYSA-N 446.507 3.253 0 50 IGAA Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1C 630786 CZUUFMRWUFVESW-NRFANRHFSA-N 430.570 3.308 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 844265 PREJBSGFXZTVGK-QGZVFWFLSA-N 447.285 3.492 0 50 IGAA Cc1ccc(CN(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1 920757 VDAHKONWHCYYRE-LJQANCHMSA-N 436.961 3.135 0 50 IGAA CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccnn2CC)c(Cl)cc1Cl 2794393 TWCIRMJQFBBRGP-UHFFFAOYSA-N 433.361 3.170 0 50 IGAA Cc1cc(N2C(=O)c3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)O)cc3C2=O)no1 10109768 DMRDUYHFHUWDRX-UHFFFAOYSA-N 425.784 3.388 0 50 IGAA CO[C@@H](c1ccc2c(c1)CN(C(=O)C[C@@H]1SC(=O)NC1=O)CCO2)C1CCCCC1 14995392 UQFYTKWJSGXSHF-AZUAARDMSA-N 432.542 3.417 0 50 IGAA Cc1cccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 15835798 OCANLQWFWFCBGG-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)N2CCOCC2)cc1 15987998 HCYWIJUDZXJYSP-XMHGGMMESA-N 445.313 3.087 0 50 IGAA O=C(CCc1nnc(CCc2ccccc2)o1)NCC1(N2CCOCC2)CCCCCC1 19744015 AWURYBCDUFLMBN-UHFFFAOYSA-N 440.588 3.329 0 50 IGAA O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC1(N2CCOCC2)CCCC1 20451236 GTQUSDTXUSGGGG-HSZRJFAPSA-N 448.007 3.073 0 50 IGAA Cc1nn(CC(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)c(=O)c2ccccc12 20906708 PJYHHHTZCBFBFC-INIZCTEOSA-N 433.537 3.100 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccccc1-c1ccco1)CC2 20996274 SHZDQWNNDGQMAU-UHFFFAOYSA-N 447.535 3.411 0 50 IGAA CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 170593788 KPEPOZQNFQJHER-SFHVURJKSA-N 431.512 3.327 0 50 IGAA O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 218268898 ZCBKEFBODFYZIP-ZDUSSCGKSA-N 431.374 3.362 0 50 IGAA O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC[C@H]1CC[C@H](C(=O)O)CC1 245239059 FAIAURWLQPGUMS-JOCQHMNTSA-N 433.888 3.321 0 50 IGAA CC(C)(C)OC(=O)N1CCN(CCNC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 253415571 KNGODEUKZNBIGN-UHFFFAOYSA-N 437.028 3.447 0 50 IGAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)C1 951727049 VUYRZCBYTMTYAM-JTQLQIEISA-N 432.358 3.299 0 50 IGAA Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Nc3ncccn3)cc2)CC1 1875263170 FCZMUOXIHNXNSC-IBGZPJMESA-N 445.523 3.281 0 50 IGAA O=S(=O)(c1ccccc1F)N1CCC(c2nc(Cc3cnc(C4CC4)o3)no2)CC1 2325849890 DOKGRIDMMPEZAP-UHFFFAOYSA-N 432.477 3.233 0 50 IGAA CC[C@@H](C)c1ccc(-c2csc(NC(=O)CN3Cc4nc(O)nc(O)c4C3)n2)cc1 2325866286 GVEWUPYVJQJFAP-GFCCVEGCSA-N 425.514 3.479 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 644516 BTUBPJRVMSHIIH-UHFFFAOYSA-N 428.341 3.463 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1078166 CZHYNUIEZBIPMA-UHFFFAOYSA-N 444.294 3.230 0 50 IGAA Cc1ccc(CN(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 2836853 WOJJQDMNXNBTMS-UHFFFAOYSA-N 437.359 3.227 0 50 IGAA O=C(CSc1nnc(CCCO)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5065375 ZTLDJYQQESCPHT-UHFFFAOYSA-N 426.586 3.369 0 50 IGAA COc1cccc(NC(=O)CSc2nnc(CCC(=O)Nc3ccc(F)cc3)n2C)c1 9262773 DAIODPDWVYQNQI-UHFFFAOYSA-N 443.504 3.265 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCC2(CC1)C[C@@H]2C(=O)N(C)Cc1cscn1 11840461 QJCALTFWYMKWAI-GOSISDBHSA-N 445.585 3.430 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCc2ccc(F)c(F)c2)c1=O 12457196 MVPBIUAXHJTYMO-UHFFFAOYSA-N 443.450 3.228 0 50 IGAA O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)c1ccc(F)cc1 19789637 KXFPKVNJAHUQOG-UHFFFAOYSA-N 445.494 3.075 0 50 IGAA aggregator Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cc(F)ccc2F)C4)cn1 20598231 OHUXHHQVMOYVEG-INIZCTEOSA-N 441.507 3.165 0 50 IGAA O=C(c1cccc(O)c1)N1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 225475108 XMULQDZPIJETOV-UHFFFAOYSA-N 436.331 3.087 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)[nH]n1 409413057 ARKMUCMONBPIJB-AVRDEDQJSA-N 426.561 3.438 0 50 IGAA COc1ccc([C@H](CC(=O)N[C@@H](CO)Cc2ccccc2)c2cc3c(cc2O)OCO3)cc1 828777861 FYKSKVUAUAJUFE-CTNGQTDRSA-N 449.503 3.371 0 50 IGAA biogenic O=C(CCc1ccccc1C(=O)O)NCc1cccc(-n2cc(-c3cncs3)nn2)c1 1875326122 BCVILWCDZUPOND-UHFFFAOYSA-N 433.493 3.338 0 50 IGAA COCC(=O)Nc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 2325699748 GQODWKZQEQNABR-UHFFFAOYSA-N 448.405 3.193 0 50 IGAA CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(Cc2ccc(Br)cc2)C1=O 1153001 SITYGGGZIMPXJO-UHFFFAOYSA-N 430.302 3.056 0 50 IGAA CCOC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl 3130898 JYHKCIHTXCULDZ-NSHDSACASA-N 428.725 3.202 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccco1 9030364 SFUDXKHEGHPDSP-BXBHGGAKSA-N 446.887 3.184 0 50 IGAA C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)C[C@@H](C)O1 13471028 WAZJBJXJSXYLOL-XHSDSOJGSA-N 436.505 3.030 0 50 IGAA C[C@H]1CN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)C[C@@H](C)O1 14879509 VEBBSYIRMWLFLL-PXAQALGRSA-N 432.948 3.305 0 50 IGAA COc1ccccc1CN1C[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)CCC1=O 14952256 TZGRAUUWTIWVJZ-HSZRJFAPSA-N 435.568 3.346 0 50 IGAA CCc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 101159897 VEHIBDTWZPGKFG-IBGZPJMESA-N 428.510 3.270 0 50 IGAA C[C@H](NCCNc1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 170593091 VUKWXYKFOVFMLT-AWEZNQCLSA-N 426.380 3.462 0 50 IGAA Cc1ccccc1CN1CCN(C(=O)CN(C)Cc2cnn(Cc3ccccc3)c2)CC1 170596727 LANJLWZGPFEKJT-UHFFFAOYSA-N 431.584 3.016 0 50 IGAA OC[C@H]1CCCN1c1cc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)ncn1 170622193 APLVRJOYADCOGV-SJKOYZFVSA-N 427.307 3.462 0 50 IGAA COC(=O)Cn1cc([C@H](C)OC(=O)Cc2csc3ccc(Br)cc23)nn1 225399272 KREICRXCZHVBDM-JTQLQIEISA-N 438.303 3.275 0 50 IGAA CC(=O)N[C@@](C)(C(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 225477232 XGNGGESYVQMALG-UPCLLVRISA-N 438.549 3.472 0 50 IGAA CC[C@@H]1CN(CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)Cc2cc(OC)ccc2O1 299794645 LUXMSPOZDHAPGN-ZJSXRUAMSA-N 438.572 3.017 0 50 IGAA Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccc(OCCN2CCOCC2)cc1)N3 877844135 DUPOLWGDJJUIFG-OAQYLSRUSA-N 438.553 3.478 0 50 IGAA CN(C)Cc1cnc(CN2CC[C@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)s1 952891646 BDKIAUYSZDSESL-SFHVURJKSA-N 438.479 3.356 0 50 IGAA C=CC(=O)N1CCC(C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)(c2ccccc2)CC1 1297044615 MYQKXYQFHDVVIN-UHFFFAOYSA-N 432.524 3.210 0 50 IGAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2 1704324911 FFLFIGHBGRZRDM-FRGLQRNOSA-N 439.560 3.454 0 50 IGAA C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 2325888948 VVLLMHNQLGMVFR-INIZCTEOSA-N 449.326 3.222 0 50 IGAA CCOC(=O)COc1cc(OCC(=O)OCC)c2c(=O)cc(-c3ccccc3)oc2c1 644123 ITJJTERMXJOUEE-UHFFFAOYSA-N 426.421 3.344 0 50 IGAA CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 846876 AGTFPNIXIAAVPG-LBPRGKRZSA-N 426.494 3.427 0 50 IGAA O=C(O)c1cccc(NC(=S)NC(=O)c2cccc(I)c2)c1 1158895 WJYXKBHJIJLBSF-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)N1CCOCC1 9184844 NJESEIRNEWVGCI-IEXUWNMDSA-N 439.895 3.481 0 50 IGAA O=S1(=O)C=C[C@H](N(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)C1 9634240 VQNVKSGFLMGJRJ-HNNXBMFYSA-N 446.319 3.094 0 50 IGAA CCc1ccc(CN(C)Cc2cc(OC)ccc2OC[C@H](O)CN2CCC(O)CC2)cc1 11705647 HTBNOURCSUTMEA-XMMPIXPASA-N 442.600 3.086 0 50 IGAA CN(C)CCN(Cc1cc2cc3c(cc2nc1N(C)C)OCO3)C(=O)c1ccccc1F 12028351 QJVJFQIVOKDOHG-UHFFFAOYSA-N 438.503 3.373 0 50 IGAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1 12111722 CUIFLNZHGRTZCM-OAQYLSRUSA-N 427.512 3.351 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1Cl 13773764 GRMUCPOUSJVOQT-IUYQLWOBSA-N 430.938 3.123 0 50 IGAA COc1ccc(/C=C/C(=O)N2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1 14980708 LAWRCDQJKPUTRS-VNUPZOPZSA-N 448.519 3.477 0 50 IGAA CCCC[C@H]1CN(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2ccccc2O1 15070901 QZYQEIURZZQAIT-NRFANRHFSA-N 439.556 3.408 0 50 IGAA COc1ccc(Cc2nnc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)s2)cc1OC 16647659 MNMAINCAYPNQOP-UHFFFAOYSA-N 446.573 3.369 0 50 IGAA COc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1OC 19831630 UNQMKMNCFILAKS-UHFFFAOYSA-N 439.600 3.495 0 50 IGAA COc1cc(OC)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(OC)c1 39380647 RQLOWWWKCZUGLG-OAQYLSRUSA-N 428.573 3.214 0 50 IGAA CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=N)N(c3ccc(OC)cc3)C2=O)cc1 170623888 WSBZUJQSNDGSBJ-QGZVFWFLSA-N 427.482 3.284 0 50 IGAA Cc1c(Br)ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239287456 CVRNLTZOADPACO-DPXVYKJRSA-N 429.314 3.058 0 50 IGAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@H]21 239402582 QURIKTCPTRGTIR-ISFWSWAHSA-N 444.487 3.347 0 50 IGAA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 242088022 WBEHGQYPXBTBJW-UHFFFAOYSA-N 433.578 3.046 0 50 IGAA CNCCN(C)Cc1c[nH]nc1-c1ccc(OC2CC(OCCC3CCOCC3)C2)cc1 263620944 QMDKVNSQXPVCRD-UHFFFAOYSA-N 442.604 3.471 0 50 IGAA in-vitro CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cn1ncn2nccc2c1=O 486744814 GHDUMAFXPKHMHU-UHFFFAOYSA-N 445.401 3.219 0 50 IGAA Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 792864368 DRXVVHRJRFUEEJ-HNNXBMFYSA-N 427.542 3.498 0 50 IGAA O=C(c1ccccc1N1CCOCC1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2 828182349 PPUUOHURZUBIDK-UHFFFAOYSA-N 431.492 3.490 0 50 IGAA Cn1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)cc1=O 2356155766 MGLXQQBBNRMOKK-MLNNCEHLSA-N 425.573 3.197 0 50 IGAA COC(=O)c1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 1085695 BFGCWPNAIFXLSW-UHFFFAOYSA-N 426.384 3.442 0 50 IGAA CC(C)CNC(=O)c1c(NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)cnn1C 2728555 GMYLGBKMXLKSKC-UHFFFAOYSA-N 444.429 3.475 0 50 IGAA CCOc1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 9971942 BTSOLIJUGATOQX-UHFFFAOYSA-N 438.915 3.247 0 50 IGAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1CC1(N2CCOCC2)CCCCC1 12207787 YYICTLOMJXGFGN-QFIPXVFZSA-N 447.595 3.210 0 50 IGAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(Oc3ccccc3C)CC2)cc1 12714303 SIDDUAJNYRVOQO-HSZRJFAPSA-N 435.568 3.064 0 50 IGAA CCn1cc(CN2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccn3)C2)c(C)n1 14732590 MHWRTKLDSNUVDM-HSZRJFAPSA-N 425.577 3.169 0 50 IGAA Cc1oc(-c2ccc(NC(=O)c3cccnc3)cc2)nc1CNC(=O)[C@@H]1CCCCN1C 15008141 GQBBGONMQZNLOL-NRFANRHFSA-N 433.512 3.398 0 50 IGAA COc1cc(CNCc2nc(C)cc(C)n2)ccc1OC[C@H](O)CN1CCCCCCC1 15077136 BKEHKIMQQFQTGW-JOCHJYFZSA-N 442.604 3.398 0 50 IGAA CC(C)N1C[C@@H](NCc2ccccc2Cl)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 39551208 QZARSVYGCRPDCK-FPOVZHCZSA-N 443.975 3.369 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1OC 65365708 YNGNODYRTFYNMZ-KRWDZBQOSA-N 448.527 3.452 0 50 IGAA CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 67842564 SEGOFUKEWZMJOL-QFIPXVFZSA-N 448.592 3.124 0 50 IGAA COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@H]2CCO)c(F)c1 104333175 IVCAATFGESQDBW-HSZRJFAPSA-N 427.564 3.372 0 50 IGAA O=C1N[C@@H]2CS[C@@H](CCCCC(=O)Oc3ccc(NC(=O)c4ccco4)cc3)[C@H]2N1 170631520 YMLXVSORCNABIJ-AYBZRNKSSA-N 429.498 3.163 0 50 IGAA NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCOCC2)cc1 205998870 HEDPDFHTQKEORT-UHFFFAOYSA-N 444.850 3.449 0 50 IGAA in-vitro O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 225769710 BWYKSWIFOBPEPC-KJWYOANISA-N 432.542 3.070 0 50 IGAA CC(C)S(=O)(=O)N1CCN(C(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)CC1 253414043 WHOATXIVQSUQMN-LJQANCHMSA-N 437.993 3.198 0 50 IGAA O=C1C[C@@H](c2ccccc2OC(F)(F)F)c2c(O)nc(N3CCSCC3)nc2N1 828323378 PMABGMPMRDJWGJ-NSHDSACASA-N 426.420 3.108 0 50 IGAA O=C(CSCc1coc(-c2ccc(C(F)(F)F)cc2)n1)NC[C@@H]1CCS(=O)(=O)C1 1875253278 LHQITZKPMAYQOD-LBPRGKRZSA-N 448.488 3.145 0 50 IGAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1 11816452 PNJGVPDLHDTQRH-UHFFFAOYSA-N 437.544 3.077 0 50 IGAA CCN(CCn1cccn1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCCCCC2)c1 11843263 FGTAXCFRJSZZHL-QHCPKHFHSA-N 444.620 3.420 0 50 IGAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC(C(C)C)=NO1 11844254 WZOAJJMQJRZVJP-QHCPKHFHSA-N 431.577 3.183 0 50 IGAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1[C@@H]1CCN(Cc2ccccc2)C1 12279396 SRRODPDCOZNMTK-DHIUTWEWSA-N 425.548 3.450 0 50 IGAA O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)Nc1ccc2c(c1)OCCO2 12409448 PHBMBMLXSOKCFS-UHFFFAOYSA-N 440.887 3.299 0 50 IGAA COc1cc(Cl)cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1OC 19227788 RDGDRBJICPDYPD-NRFANRHFSA-N 440.028 3.099 0 50 IGAA C[C@H](C1CCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)CC1)N1CCOCC1 20455820 IDUSFYFVFVZLON-LJQANCHMSA-N 433.556 3.053 0 50 IGAA CCOc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 20782312 TXTQDVWZYINPET-JOCHJYFZSA-N 437.544 3.455 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1cccs1 239173992 PBQPCELQWIIZJM-MVDTXMJBSA-N 433.485 3.345 0 50 IGAA O=C1N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2[C@]12O[C@H]1CCCC[C@H]1O2 252430696 FRDSMIIZESQQME-FVRPBGSPSA-N 437.515 3.463 0 50 IGAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1 253395059 AHCYNRZNHREAHQ-PXNSSMCTSA-N 435.455 3.198 0 50 IGAA biogenic COc1ccc(-c2nnc(SCc3cc(=O)c(OC)co3)n2C[C@@H]2CCCO2)cc1 444005927 ZHSRNSYGUYKOOY-INIZCTEOSA-N 429.498 3.387 0 50 IGAA Cc1ccc([C@H](CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)O)cc1 486394654 BZOPRKUDCVUQCH-QFIPXVFZSA-N 441.487 3.351 0 50 IGAA C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782735146 CGWXCIGLSXMNHY-BZNIZROVSA-N 434.411 3.329 0 50 IGAA O=C(NCC1(c2ccccc2)CCCCC1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857681898 PSTUJZCVIABZHO-ONBPZOJHSA-N 439.644 3.485 0 50 IGAA O=C(O)c1cc2c(s1)C1(CCN(c3ccc(C(=O)N4CCCC4)cn3)CC1)OCC2 1857686905 HJWOYEWBERIHBS-UHFFFAOYSA-N 427.526 3.146 0 50 IGAA C=CC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1nn2c(c1C)OCCC2 1875383429 TYTDPUWNNXZPJJ-NHCUHLMSSA-N 436.556 3.130 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1 2695005 ZNHQOIKSFKJOIE-UHFFFAOYSA-N 437.568 3.190 0 50 IGAA aggregator CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(s/c(=C/c3ccco3)c2=O)=N1 8443917 FLGOPSPVCJCXOH-YMFQVDJJSA-N 445.500 3.368 0 50 IGAA C[C@@H](NC(=O)[C@H]1CC(=O)c2sc(NC(=O)Cc3ccccc3)nc2C1)c1nccs1 11965217 GPXCGRPDOAQXEF-TZMCWYRMSA-N 440.550 3.403 0 50 IGAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C3)s1 12244963 MRAUKTNJJIDCBK-GOSISDBHSA-N 444.528 3.435 0 50 IGAA Cc1cc(C(=O)N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc(C)n1 12471411 MMLQNRDVDBRUBF-HSZRJFAPSA-N 449.599 3.117 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc(Cl)c2C)cc1 14186096 DIFGTUQWUUOCQZ-QGZVFWFLSA-N 436.961 3.447 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)c2cccc(F)c2)C1 15070647 HMZPLWPTVOGBMH-QFIPXVFZSA-N 435.517 3.411 0 50 IGAA CCC(CC)C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 299767780 OEZWHOUGUTYNCB-DEOSSOPVSA-N 445.560 3.189 0 50 IGAA Cc1ccc2nc(CNC(=O)[C@@H](C)[C@H](C)C(=O)NCc3nc4ccc(C)cc4[nH]3)[nH]c2c1 479864186 IDFUXBGCMUTQGJ-HOTGVXAUSA-N 432.528 3.261 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)nc(O)c32)c(OC)c1OC 824639892 UVECPSJHRIVCEB-YDHLFZDLSA-N 442.516 3.164 0 50 IGAA Cc1cc(C)c([S@@](=O)CC(F)(F)F)cc1-n1cnc2nn(-c3cccnc3)cc2c1=O 2325811238 HNPDVCUVKBATPR-HKBQPEDESA-N 447.442 3.253 0 50 IGAA CC[C@H](C(=O)N(CCO)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 2325841615 BJNZHTZTKRRGDI-IBGZPJMESA-N 438.933 3.002 0 50 IGAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCCC1 858050 JXMUSSRHSAVNAJ-UHFFFAOYSA-N 437.359 3.262 0 50 IGAA COC(=O)c1sc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C(=O)OC)c1C 953485 UMRUFABWYJLSGL-UHFFFAOYSA-N 437.417 3.449 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@@H]1c1cccs1 1207618 CACOFQDRRSAHIY-XBNGYDHASA-N 430.576 3.230 0 50 IGAA CN1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 6027824 XEUFRASSRWPSAQ-UHFFFAOYSA-N 449.576 3.470 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccccc2)cc1 6348668 MLXULLGDYNPUKN-UHFFFAOYSA-N 441.578 3.494 0 50 IGAA C[C@@H](Cc1cnccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11938406 RWYSVDYRUNCBFP-IBGZPJMESA-N 431.540 3.276 0 50 IGAA O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1 20029135 VMWSSHLPOKCYIQ-SFHVURJKSA-N 433.346 3.125 0 50 IGAA O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(N2CCOCC2)CCCCC1 20037783 WTRRYTJSKZCPDU-UHFFFAOYSA-N 434.928 3.067 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2-c1cccc(OC)c1 20367419 SQYQWVASXMDGRX-UHFFFAOYSA-N 445.475 3.008 0 50 IGAA CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 20785145 BDGUYMJBGDPQGY-UHFFFAOYSA-N 433.556 3.016 0 50 IGAA Cc1cc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)cc1Br 239009559 AVGNUYYJZQRWSZ-BISJRSAGSA-N 443.341 3.448 0 50 IGAA CN1CC[C@H](Sc2ccccc2NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1=O 1875259339 SYSTVIWPGAOHQH-CTNGQTDRSA-N 443.544 3.161 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccccc2)cc1 654968 ALQGVFPAFFRZGO-UHFFFAOYSA-N 436.533 3.475 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@@H]3C2=O)cc1 668120 DQKFZBXGCNIGIL-YPHDTHBOSA-N 425.440 3.331 0 50 IGAA COc1cccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2)c1 990311 LPRKIDNBBYBTBK-UHFFFAOYSA-N 437.930 3.469 0 50 IGAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 1149158 YTRRBIBLPAPWOR-KRWDZBQOSA-N 443.352 3.484 0 50 IGAA NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(Br)cc2Cl)cc1 2856738 SRMFWRACMBIMEV-UHFFFAOYSA-N 434.768 3.237 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1 6064398 UCHXXJNZENSNJY-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc(OC)nc4OC)C3)C2)c1 12076844 GJFAGBMIHPXPFZ-XMMPIXPASA-N 425.529 3.236 0 50 IGAA O=C(NCCCc1ccncc1)c1cn(C2CC2)cc(C(=O)NCC2CCCCC2)c1=O 12243522 WIYTUOHYLKUPIC-UHFFFAOYSA-N 436.556 3.251 0 50 IGAA COC(=O)c1ccccc1Sc1ccc(OCCCN2CCN(CCO)CC2)cc1 45068723 HNAQDPXNLUWDBL-UHFFFAOYSA-N 430.570 3.003 0 50 IGAA Cc1ccc(OCCN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 67472791 XEIITWGRHARRED-OAQYLSRUSA-N 447.938 3.015 0 50 IGAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225407346 ALZOIYVVWPBNLY-UXHICEINSA-N 429.446 3.194 0 50 IGAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(C/C=C/c1ccccc1OC)CCO2 299763867 GAFLJZUEFVCOMY-AVAOGFIGSA-N 435.568 3.313 0 50 IGAA Cc1nc2sc([C@@H](c3ccsc3)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)n2n1 409413689 REJVJEAFEJEGIX-DHSIGJKJSA-N 439.566 3.237 0 50 IGAA C[C@]1(c2ccc(CNC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)cc2)NC(=O)NC1=O 440146558 FVKJDWZGQNUIAX-FTJBHMTQSA-N 446.551 3.321 0 50 IGAA CCC[C@H](C)C(=O)N(Cc1ccc(F)cc1)Cc1cn(-c2cncc(C(=O)O)c2)nn1 1875326820 NXEBKZBNLPPQCF-HNNXBMFYSA-N 425.464 3.465 0 50 IGAA CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cc(C(C)C)nn2C)c(C)o1 11790085 LWJKFSURJTYGLI-UHFFFAOYSA-N 445.545 3.199 0 50 IGAA COc1cc(CNCCc2ccc(C)cc2)ccc1OC[C@@H](O)CN1CCSCC1 12210739 SELQANUPFKIUBI-QFIPXVFZSA-N 430.614 3.124 0 50 IGAA COC(=O)CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12432768 JWDJXSNMNORJRS-HXUWFJFHSA-N 426.517 3.152 0 50 IGAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N1CCc3c([nH]c4ccccc34)C1)C2 14731588 FLOSPAXTWDUSDQ-GOSISDBHSA-N 447.583 3.162 0 50 IGAA O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(Cc1cccnc1)CC2 14732397 AKENDRGMGOEJNH-UHFFFAOYSA-N 444.564 3.271 0 50 IGAA O=C(COc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 14906497 LZHJPYSBIXRORL-UHFFFAOYSA-N 429.523 3.450 0 50 IGAA O=c1c(CN[C@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1Cc1ccccc1Cl 14984150 MEDKPOIMSBJQQB-SFHVURJKSA-N 434.920 3.119 0 50 IGAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)cc1NC(C)=O 16624533 UQIJWIZDPQRIRH-UHFFFAOYSA-N 426.423 3.348 0 50 IGAA CCc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1 20454951 XIXOYEHZBGSDHK-UHFFFAOYSA-N 425.483 3.107 0 50 IGAA O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 100627018 UBNNWHDVXJNJDC-ZRZAMGCNSA-N 445.563 3.095 0 50 IGAA COc1cccc(C(=O)N2CCC3(CC2)NC(c2ccc(Br)cc2)=NO3)c1 169755059 YQONIDYUKZECGJ-UHFFFAOYSA-N 430.302 3.372 0 50 IGAA C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1 170617767 WPIPTEXZAUNMNP-NSHDSACASA-N 439.456 3.390 0 50 IGAA O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccncc2F)CC1 225502136 KTKRIHRCMZZHHT-HSZRJFAPSA-N 432.499 3.036 0 50 IGAA CSCC[C@H](CO)NC(=O)c1cnn(-c2ccccc2Br)c1-n1cccc1 230210066 FWWFFILNASCXEW-CQSZACIVSA-N 449.374 3.269 0 50 IGAA Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 247857586 DMLNYBOCYBNNON-YIKPNSEUSA-N 439.874 3.219 0 50 IGAA O=c1nc2sc(=Cc3cccc(Oc4ccccc4)c3)c(=O)n2nc1Cc1ccccc1 254308395 GXHBGACHAWJMHJ-UHFFFAOYSA-N 439.496 3.442 0 50 IGAA CN1CCN(Cc2ccc3c(c2)CN(C(=O)C2CCOCC2)CCO3)[C@@H](c2ccccc2)C1 299789683 ACDSXVOPRAFDQK-RUZDIDTESA-N 449.595 3.323 0 50 IGAA COC(=O)CCS(=O)(=O)/C(=C/c1ccc(-c2c(F)cccc2F)o1)c1ncccn1 328593142 IBPWMNWLHZPYRF-SFQUDFHCSA-N 434.420 3.491 0 50 IGAA CC(C)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)C(=O)N1CCc2sccc2C1 750580471 ZMDTUSXHLXOZII-VBKZILBWSA-N 441.553 3.291 0 50 IGAA O=C(NCC1=CCNCC1)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952892118 FERLEMXRXAMPOX-IBGZPJMESA-N 439.413 3.011 0 50 IGAA Cc1nccn1CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506399203 LDFHQZTVJRXXDW-CYBMUJFWSA-N 429.901 3.316 0 50 IGAA COc1ccccc1CCc1nnc(CCC(=O)NCCCn2ncc3ccccc32)o1 12760232 UHBCXMLFFRKTHG-UHFFFAOYSA-N 433.512 3.352 0 50 IGAA O=C(c1nn(CCc2ccccc2)c2c1CN(CCc1ccccc1)CC2)N1CCOCC1 14744366 RBQWEMHEZUPGMP-UHFFFAOYSA-N 444.579 3.199 0 50 IGAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC(C)C 14751138 ZHQHHRDRBUDIFX-UHFFFAOYSA-N 449.599 3.151 0 50 IGAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNC[C@H]1C[C@@H]2C=C[C@H]1C2 14974183 XPAMSYXWROUQQS-FGTMMUONSA-N 432.524 3.203 0 50 IGAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 19799153 CEJAPHHKRIYIOP-UHFFFAOYSA-N 449.886 3.050 0 50 IGAA C[C@@H](c1nccs1)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55198304 LQSKTYWOEBWWGM-HNNXBMFYSA-N 429.521 3.426 0 50 IGAA O=C(O)[C@]1(Cl)[C@@]2(Cl)C(Cl)=C[C@]3(Cl)[C@@]1(Cl)[C@]2(Cl)[C@@]3(Cl)C(=O)O 254521162 FSRRBXBOENDYJV-VJILJNLWSA-N 435.301 3.185 0 50 IGAA CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 479630497 VHPUFAIHUZLXHI-RBUKOAKNSA-N 441.494 3.091 0 50 IGAA CN(C)Cc1cnc(CN2CC[C@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)s1 952893120 KZAFNZUBCJSGNZ-SFHVURJKSA-N 438.479 3.356 0 50 IGAA O=C(NC[C@H]1CC[C@H](c2ccccc2)C1)NS(=O)(=O)c1ccn(CC(F)(F)F)n1 2325841371 REZWVQGSLRJERI-ZFWWWQNUSA-N 430.452 3.017 0 50 IGAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 696107 YPZPICNXKVWZSZ-UHFFFAOYSA-N 432.542 3.023 0 50 IGAA CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 791053 UEACQENXMBPSBI-UHFFFAOYSA-N 427.482 3.299 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 5608790 JNRHNGGTJOBXHL-PKTZIBPZSA-N 446.503 3.336 0 50 IGAA CCOC(=O)CCNC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12093629 UUDUSFVHGZMMPR-IBGZPJMESA-N 437.540 3.458 0 50 IGAA CSCCCN1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 12152561 HKZRWUICYOCAGW-OAHLLOKOSA-N 430.599 3.375 0 50 IGAA C=Cc1ccc(C(=O)N2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3cccnc3)C2)cc1 14530359 XNLOPSLRURTGEK-XMMPIXPASA-N 449.551 3.021 0 50 IGAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)c2cc(-c3ccccc3)no2)CC1=O 14531609 BXXPKCAHRUSDDX-NRFANRHFSA-N 448.523 3.262 0 50 IGAA CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccc(OCCO)cc1)CC2 14532040 QYRFJSNMQPYASX-UHFFFAOYSA-N 431.577 3.111 0 50 IGAA COc1cc(CCNCc2cccc3c2OCO3)c(OC)cc1I 95705068 NJNMIPDEUMTYNV-UHFFFAOYSA-N 441.265 3.369 0 50 IGAA in-vitro Cc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)[C@H](C)S(C)(=O)=O)cc1 225497897 RYUXONDXGVUNTF-LIRRHRJNSA-N 433.555 3.330 0 50 IGAA CN(C(=O)c1ccccc1Oc1cnn(C)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 225752899 CDVBTZSMFHSMDS-KRWDZBQOSA-N 431.901 3.466 0 50 IGAA Cc1nnc(N(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C(C)C)s1 253433079 ROJVOBHCNSKXPL-UHFFFAOYSA-N 436.335 3.151 0 50 IGAA COc1ccc([C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C3=NC(=O)N(C)[C@@H]32)cc1 253471592 VSZUODXXMZFPDQ-OXQOHEQNSA-N 439.468 3.074 0 50 IGAA COCCn1ccc2c(OCC(=O)NCCCCCc3nnc4ccccn34)cccc21 263587363 GAQLBQMVRRSDQO-UHFFFAOYSA-N 435.528 3.238 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 845647 UABZMJZQOZTYMH-IBGZPJMESA-N 443.525 3.153 0 50 IGAA CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3cncs3)C2)c1)Cc1cnn(C)c1 12183976 BDENSEYBBZSJQN-IBGZPJMESA-N 439.585 3.440 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)CC1 12225706 MSPJEMSXVFBPOT-HXUWFJFHSA-N 432.561 3.124 0 50 IGAA CC(C)c1csc(CN2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)n1 12431644 VFWBKUQQJVFSLH-HXUWFJFHSA-N 434.650 3.238 0 50 IGAA C[C@@H](NC(=O)c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1)c1cccs1 14882876 YTPNUKSUHBMGKH-XSXQVXRUSA-N 427.574 3.163 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)cc1 14952234 JOUUTJAPTLROPK-FQEVSTJZSA-N 447.583 3.311 0 50 IGAA CCOc1cc(CN2CCC[C@@H](Cn3cc(C(=O)N(CC)CC)nn3)C2)ccc1OC 14986736 OROGWMDBJWLXBT-LJQANCHMSA-N 429.565 3.080 0 50 IGAA CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 23353854 GXKBMVMJOKHANS-OAQYLSRUSA-N 439.604 3.186 0 50 IGAA CN(Cc1cccnc1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 55089528 SXWGXQVYYCCCIH-VWLOTQADSA-N 442.563 3.063 0 50 IGAA COc1ccc2cc(NC(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)ccc2n1 170620634 KPTMTELUZZYQJP-RTBURBONSA-N 425.485 3.164 0 50 IGAA O=c1oc(-c2ccc(F)cc2)nn1Cc1noc(Cc2ccc(Br)cc2)n1 170624623 KEENPRDIGKIUHO-UHFFFAOYSA-N 431.221 3.427 0 50 IGAA O=C(CN1CCC[C@H]2CCCC[C@H]21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 230047924 MORRDDJIMPSTDR-DENIHFKCSA-N 446.551 3.168 0 50 IGAA CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCCN21 252016303 VSEDSEJRMWHEJN-JYEBCORGSA-N 429.520 3.297 0 50 IGAA O=S(=O)(c1ccccc1)[C@H]1[C@@H]2C[C@H]([C@H]1S(=O)(=O)c1ccccc1)[C@]13[C@H]4C[C@H]5[C@H]([C@@H]41)[C@@]523 257356291 HGKSRZHCCKJCCV-BBYIUAPDSA-N 438.570 3.203 0 50 IGAA CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 475080033 SQWQFGAUCKOJTQ-OAHLLOKOSA-N 442.368 3.300 0 50 IGAA O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2[C@H]1Cc1ccccc1 762393166 VSTQBKVHCKLWGM-GGAORHGYSA-N 433.533 3.085 0 50 IGAA CCc1ccc(CN2C[C@@H]3CN(CCn4cc(Cl)cn4)C[C@@]3(CCC(=O)O)C2)s1 1772817699 VCPTXJRREYWUBE-KKSFZXQISA-N 437.009 3.459 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(Cc3cccc(C)c3)CC2)C1 1857687486 UCAAXEAMYSBDMF-ONBPZOJHSA-N 439.644 3.399 0 50 IGAA CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@H](C)CC)ccc1-2 623991 NFLOGLNDPANICS-HUUCEWRRSA-N 436.599 3.411 0 50 IGAA CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)sc(C)c1C 783539 SWTPNIUJQBLMNM-MRXNPFEDSA-N 436.555 3.333 0 50 IGAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NCc2cn3ccsc3n2)c1C 11784711 ZYRWCGCAOMIMFD-UHFFFAOYSA-N 436.537 3.356 0 50 IGAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@@H](O)CN1CCCCCCC1 11936654 NFRCCLCOWHIFPC-QFIPXVFZSA-N 430.593 3.365 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CN(C)Cc2cccnc2)C1 12435449 PEUVXYWONDVHTQ-DEOSSOPVSA-N 427.520 3.067 0 50 IGAA C[C@H](CC(F)(F)F)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1 14746695 INSPLWXEXQMTCD-MRXNPFEDSA-N 436.478 3.103 0 50 IGAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 15066809 PCQFDTJDWGKJAW-UHFFFAOYSA-N 436.556 3.341 0 50 IGAA CC[C@@H](C)n1cc(C(=O)NCC2(O)CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 15071432 VCEBFQZSAPOMEI-GOSISDBHSA-N 431.577 3.261 0 50 IGAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccccc2Br)c1 16189173 BKMLWTCEUQRSIB-UHFFFAOYSA-N 432.318 3.240 0 50 IGAA CC(=O)Nc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 169775700 NIAANHBDBWPYOW-UHFFFAOYSA-N 443.507 3.168 0 50 IGAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 225400003 KLVYVFDODRVWND-MJGOQNOKSA-N 449.567 3.369 0 50 IGAA C[C@]1(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2)NC(=O)NC1=O 225532919 HGBSNDXHECLAIN-RUZDIDTESA-N 445.450 3.041 0 50 IGAA Cc1noc(C[C@@H](NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)n1 429550863 WCLUJAWVPARZEK-OAQYLSRUSA-N 439.947 3.254 0 50 IGAA O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@@]2(CCCc3ccccc32)C1 753321567 QYCRLCROOCDDPS-RRPNLBNLSA-N 443.547 3.277 0 50 IGAA C[C@](O)(CN1CCc2c(Br)ccc(F)c2C1)c1ccc(S(C)(=O)=O)cc1 755296171 NOMKJJYOYPVMBA-IBGZPJMESA-N 442.350 3.258 0 50 IGAA O=C(c1cccc(O)n1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857708117 WDJKGCFWQMAJTD-FQEVSTJZSA-N 437.540 3.416 0 50 IGAA COc1cnc2nc(NC(=O)[C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)sc2c1 1875354687 LLIUXNSOXLCFTB-VLIAUNLRSA-N 444.513 3.368 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 1050830 OGPIJUZMMWZXLO-UHFFFAOYSA-N 427.320 3.153 0 50 IGAA CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1OC 6552443 WLLPRYOIDRRSSP-ZWOKBUDYSA-N 438.402 3.198 0 50 IGAA O=C(c1cn(C[C@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)nn1)N1CCCC1 12024986 GITXFNCAIDSIQH-KRWDZBQOSA-N 437.466 3.325 0 50 IGAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 12313973 UWWUHOBFWUJTLN-CQSZACIVSA-N 449.491 3.397 0 50 IGAA CN(c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 19810786 WCGHEXODOUVWJY-UHFFFAOYSA-N 449.576 3.470 0 50 IGAA COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1O 101232864 LEBSQAFYDAPXJL-DNVJHFABSA-N 430.460 3.448 0 50 IGAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 169778185 JQPHGVKYKIHXEZ-AWEZNQCLSA-N 431.294 3.301 0 50 IGAA COc1ccc([C@@H](CC(=O)NCCc2c[nH]cn2)c2c(O)c3ccccc3oc2=O)cc1 253470527 BHKFQDQXHCWJGW-LJQANCHMSA-N 433.464 3.111 0 50 IGAA COc1ccc(-c2nn3ccn(Cc4nc(-c5ccccc5C)no4)c(=O)c3c2CO)cc1 263615723 DVBNFGPSMSMJCE-UHFFFAOYSA-N 443.463 3.071 0 50 IGAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(F)c(Cl)c2)CCO3)CC1 299756785 FORKTRGIQTYIFY-UHFFFAOYSA-N 445.922 3.178 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCCc1nc(O)c2ccccc2n1 409413458 IDLBWXARRNAEEO-KNQAVFIVSA-N 440.588 3.398 0 50 IGAA biogenic C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(c2ccc3c(c2)S(=O)(=O)CC3)C1=O 772085004 ZRVCXGIAHHVHKC-SFHVURJKSA-N 425.293 3.295 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)ccc1F 1704316137 WTHCADDMJNGMBM-JOCHJYFZSA-N 446.479 3.002 0 50 IGAA CN1CC2(CCN(S(=O)(=O)c3ccc(OCC(F)F)c4ccccc34)CC2)OC1=O 2325819025 NSQWTKPNOCVLLB-UHFFFAOYSA-N 440.468 3.089 0 50 IGAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cc2ncccc2s1 2325824091 OZPJNNNNHOKSFM-NVXWUHKLSA-N 425.558 3.284 0 50 IGAA CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1-2 623989 NFLOGLNDPANICS-GJZGRUSLSA-N 436.599 3.411 0 50 IGAA COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)cc(OC)c1OC 728819 FVESPXBJWRXZBR-IBGZPJMESA-N 427.526 3.452 0 50 IGAA CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)(C)C)=C(N)O1 759165 MJBOZHIKDREMEW-QHCPKHFHSA-N 428.485 3.036 0 50 IGAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1206141 ADRASFMZVRWGLU-AWEZNQCLSA-N 440.974 3.480 0 50 IGAA CCOC(=O)c1cnc(SCC(=O)Nc2cc(C)c(C)cc2Br)nc1N 2877185 BUEFZBCEIZBHNW-UHFFFAOYSA-N 439.335 3.346 0 50 IGAA Cc1nn(C)cc1CN(C)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 12073714 FERRNZSTUVUWRN-RUZDIDTESA-N 434.584 3.159 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCC[C@H](C)C2)c1 12278920 GCDMLGWNTFBYKM-SFHVURJKSA-N 431.577 3.210 0 50 IGAA CCOc1ccc(CCNC(=O)CSc2nnc(-c3cccnc3)n2C)cc1OCC 12412183 GBCKBKFETPHENT-UHFFFAOYSA-N 441.557 3.126 0 50 IGAA C[C@H]1CN(Cc2ccc(C(=O)NC3c4ccccc4-c4ccccc43)c(=O)[nH]2)C[C@@H](C)O1 20598629 SBNQBCAEYSMSJK-CALCHBBNSA-N 429.520 3.484 0 50 IGAA Cc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169816223 DMDCTXDRCWMWIF-UHFFFAOYSA-N 441.162 3.372 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 239231223 VDVLSQODWKNBDX-OIXHTRDQSA-N 449.732 3.484 0 50 IGAA COc1ccc([C@@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccncc2)cc1 670471634 NDORYWYFZJDCFA-HSZRJFAPSA-N 430.508 3.243 0 50 IGAA O=C(c1cccc2c1NCCC2)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@]2(CO)C1 1772808348 NTMIDTUKUZPJGR-OPAMFIHVSA-N 431.989 3.326 0 50 IGAA C[C@@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)c2c3ccccc3nn2C)CC1)c1ccsc1 2332238629 GADMFPRVGALNBJ-DHMKHTPVSA-N 444.582 3.279 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 672040 FTMGVSSQFCJPOB-UHFFFAOYSA-N 432.432 3.004 0 50 IGAA CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 2533406 JGXVNCFCVBSVGV-RGEXLXHISA-N 435.505 3.331 0 50 IGAA CC(C)CC[C@@]1(C2CCN(C(=O)CC3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 11791358 VVCYSAGGDZWRHS-DEOSSOPVSA-N 426.561 3.347 0 50 IGAA O=S(=O)(c1cccc2nsnc12)N(Cc1cccc(OC[C@@H]2CCOC2)c1)C1CC1 12040698 DRASJZQRBTZQSR-MRXNPFEDSA-N 445.566 3.460 0 50 IGAA CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCc3ccccc3C2)c1=O 12279719 HZNXUSMHFLUDKM-UHFFFAOYSA-N 429.520 3.233 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 12455242 YOSIKOYCYURMPM-UHFFFAOYSA-N 428.504 3.205 0 50 IGAA COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cc1 12570685 WKYSJTHAUARRNQ-VWLOTQADSA-N 443.547 3.369 0 50 IGAA COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)cc1 14750895 CGHCKDYKYRZLCO-UHFFFAOYSA-N 435.524 3.059 0 50 IGAA CCCCn1c(CN(C)C[C@@H]2CC(=O)N(CC)C2)cnc1S(=O)(=O)C1CCCCC1 15062237 WTUKFSWINVSICP-SFHVURJKSA-N 438.638 3.090 0 50 IGAA Cc1cccnc1CN1CCN(C(=O)c2cc(COc3cccc4cccnc34)on2)CC1 19221506 QKNHMMBFCKNNHK-UHFFFAOYSA-N 443.507 3.463 0 50 IGAA CC(=O)c1cccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 20472295 BHDGCMHCBHNJBE-DEOSSOPVSA-N 435.568 3.400 0 50 IGAA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773449 HBAIFWUPYJVYMD-SFHVURJKSA-N 435.524 3.039 0 50 IGAA COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1OC 169775701 XWNOJABLOMQTLL-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 238899904 HGEYGPHKXWJQND-YPAWHYETSA-N 444.443 3.230 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Br)cc1Cl 239403071 RLUOSSBFKIEXRS-GQYKBVJTSA-N 435.705 3.094 0 50 IGAA COc1ccc([C@]2(CC(=O)N3CCCC[C@H]3c3ccccn3)CC(=O)N(C3CC3)C2=O)cc1 299756353 GNDXTNRFKKENIC-NVQXNPDNSA-N 447.535 3.393 0 50 IGAA O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC1(C(=O)O)CCOCC1 431875972 RRKRGQNUNVGIFR-IBGZPJMESA-N 444.915 3.199 0 50 IGAA O=C1CCOC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1Cc1cccc(C(F)(F)F)c1 1704327814 GYWXEWAJGKUJHA-UHFFFAOYSA-N 435.446 3.457 0 50 IGAA COc1ccc(CCN(Cc2ccccc2)C(=O)Cn2nc(O)c3ccccc3c2=O)cc1 2325706100 YDEVPQCDEYYARZ-UHFFFAOYSA-N 443.503 3.382 0 50 IGAA CC(C)(C)c1nocc1CNS(=O)(=O)c1cc2c(cc1Br)OCCCO2 2325826075 NUJSJUVWBNBOLB-UHFFFAOYSA-N 445.335 3.374 0 50 IGAA CS(=O)(=O)Cc1nc(-c2cccc3c2OCC3)n(-c2ccccc2OC(F)(F)F)n1 2325839943 KATMCVNRZXHXOW-UHFFFAOYSA-N 439.415 3.312 0 50 IGAA COC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 1166253 QPYYZGBLUFHYDB-UHFFFAOYSA-N 431.297 3.185 0 50 IGAA CC1(C)C[C@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 2484401 XEOOHATVIZIQPX-PMACEKPBSA-N 449.916 3.204 0 50 IGAA COC(=O)c1nn(-c2cccc(Cl)c2C)c(I)c1C(=O)OC 4542470 VTKVMJOASCBFDW-UHFFFAOYSA-N 434.617 3.012 0 50 IGAA O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)NC2Cc3ccccc3C2)c1=O 11881360 CGQJYFVEAGCZPV-UHFFFAOYSA-N 427.504 3.010 0 50 IGAA COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C 12202269 KNAQVVTZRTZOGK-VWLOTQADSA-N 447.583 3.463 0 50 IGAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)CCC3CCCCC3)CC2)CC1 12577475 SHFQBNRGBOMNCI-HSZRJFAPSA-N 433.637 3.345 0 50 IGAA Cc1nccn1CCC(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14744817 MOSCPAOFLWNQIK-QHCPKHFHSA-N 438.572 3.171 0 50 IGAA CCCC(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 14993592 UIAXJNIOEXVLCA-HSZRJFAPSA-N 440.569 3.172 0 50 IGAA O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Br)cc1Cl 16551688 BABBCLCJDRUROV-UHFFFAOYSA-N 426.698 3.092 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](C[C@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 87493295 LOORPDPTUOMYOZ-PMACEKPBSA-N 440.496 3.037 0 50 IGAA CC(=O)Nc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)cc1 195482797 DWUJVSJNWCYYGP-CLHCXQNVSA-N 447.535 3.195 0 50 IGAA COCCCN1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)Nc1ccc(OC)cc1 242750736 ZYEMSLMVSAXYLQ-QTEQDKRBSA-N 441.553 3.326 0 50 IGAA COCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)ncn4CCN(C)C)cccc21 263588333 RXQALRSEINFFTC-UHFFFAOYSA-N 435.528 3.217 0 50 IGAA NS(=O)(=O)c1ccc(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 723273116 YWESGFJWLBIVFF-UHFFFAOYSA-N 438.461 3.393 0 50 IGAA Cc1cc(Br)c2c(c1)CN(C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)CC2 778190995 XKKUBQMHLBMYQF-FQEVSTJZSA-N 438.387 3.427 0 50 IGAA CC(C)(C)c1cc(CNC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)on1 1875301885 UYNHGUPXZFOTRU-HNNXBMFYSA-N 440.422 3.475 0 50 IGAA O=C(Nc1ccc(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)cc1)OCc1ccccc1 2325853806 CFNJXRXZCWBUML-SFTDATJTSA-N 446.463 3.345 0 50 IGAA O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 2325879781 IBASZVAFJUTDDU-UHFFFAOYSA-N 428.539 3.245 0 50 IGAA CCc1c(C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)oc2ccccc12 2325896016 OSAFULFUPGGISL-SFHVURJKSA-N 431.448 3.009 0 50 IGAA O=S(=O)(c1ccc(-c2cc[nH]n2)o1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356162366 AIHDOEOBOSBLJG-UHFFFAOYSA-N 438.509 3.404 0 50 IGAA O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCOCC1 827685 ACZBADDPXNYSPV-UHFFFAOYSA-N 429.325 3.048 0 50 IGAA Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2Cl)cc1Br 2804969 XKEXQBKSBFVERW-UHFFFAOYSA-N 444.742 3.190 0 50 IGAA COCCCN1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 2864197 GTLUIDWTVGLBTN-SFHVURJKSA-N 433.480 3.332 0 50 IGAA O=C(NCCCc1ccccc1)[C@H]1CC12CCN(C(=O)[C@@H]1COc3ccccc3O1)CC2 12098259 PACFRPREXDGSCM-OFNKIYASSA-N 434.536 3.204 0 50 IGAA Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 12126957 KGAKEDILBAGIQO-CQSZACIVSA-N 436.603 3.299 0 50 IGAA CCCC(=O)N1CCC([C@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 12242939 HNSLGXSNGIFZMX-HSZRJFAPSA-N 440.569 3.172 0 50 IGAA CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O 13711430 MFKKEGBQIYDQRN-FQEVSTJZSA-N 429.542 3.106 0 50 IGAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc[nH]3)c2=O)=N1 20608459 ICNZZABIDLYJDS-ITICKHJUSA-N 446.557 3.264 0 50 IGAA O=C(NC1CCCCC1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20773959 BUCGNSXNSRBJAO-OAQYLSRUSA-N 428.577 3.040 0 50 IGAA C[C@@H]1CN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CCN1C 22914055 FSONFQYQEPDMOZ-QGZVFWFLSA-N 437.975 3.322 0 50 IGAA COc1cc(OC)cc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)c1 65365391 ZAOFUDUZFFTIRF-UHFFFAOYSA-N 436.541 3.192 0 50 IGAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nc(C)n2)n1 67621174 SPLFBNAWMWRJBX-UHFFFAOYSA-N 427.459 3.220 0 50 IGAA O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772818 HAGGMKVRWZGXQE-SECBINFHSA-N 447.318 3.046 0 50 IGAA CC(C)c1ccc(CNC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1 169773437 ZREAHJKAMCNOLV-UHFFFAOYSA-N 435.524 3.341 0 50 IGAA O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc32)cc1 170644158 ONFHXJHNZLDMJY-ZDUSSCGKSA-N 436.320 3.158 0 50 IGAA O=C(c1ccn(-c2cccc(F)c2)n1)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 225661254 ZPCFIXMPAQHSFV-MRXNPFEDSA-N 425.445 3.337 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCO[C@H](C(F)F)C3)cc2)c1 225757210 CANJXYKTGVSJNS-KRWDZBQOSA-N 425.453 3.177 0 50 IGAA COC(=O)[C@@H](CCSC)NC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12 253394370 APDKRRYPGXOZSB-GOSISDBHSA-N 440.521 3.024 0 50 IGAA O=C(COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1)NCCO 253432987 QNOWSACNTSDCKZ-XMMPIXPASA-N 443.503 3.165 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409413106 CNXJGIALSSQHTK-RXVVDRJESA-N 426.561 3.008 0 50 IGAA biogenic CO[C@H](C)c1nc(CN2CCCN([C@@H](C)C(=O)N3CCc4ccccc4C3)CC2)cs1 439629753 BJKLYQJSBKTZRZ-RBUKOAKNSA-N 442.629 3.332 0 50 IGAA Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 467266229 OQXQVXNCLWBGPV-HNNXBMFYSA-N 430.496 3.126 0 50 IGAA CCn1c(=O)nc(O)c2c(C(=O)N[C@H](C)c3ccccc3-n3cccn3)cc(C(C)C)nc21 470768719 DENJOJIMKMKWBU-OAHLLOKOSA-N 446.511 3.317 0 50 IGAA COc1ccc(NC(=S)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cn1 726906353 SBFUNCFQNSYYQY-QGZVFWFLSA-N 440.491 3.469 0 50 IGAA Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1 769328146 UMTMGRRXDFRHCY-NRFANRHFSA-N 442.512 3.158 0 50 IGAA C[C@H](NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1ccc(N2CCCNC2=O)cc1 812569478 DUMCAGBUXONCKX-INIZCTEOSA-N 434.471 3.387 0 50 IGAA CN(CCc1ccccc1)Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(O)n1 823708585 VOGPYBLHMOIDQX-HXUWFJFHSA-N 433.508 3.032 0 50 IGAA CC[C@@H](C)[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 1772492675 SJJPFWCDFGSICB-MMACOIQUSA-N 433.512 3.297 0 50 IGAA Cc1ncsc1CN1C[C@@H]2CN(Cc3nc(-c4cccs4)oc3C)C[C@]2(CO)C1 1772804255 KPBLOSZATOXVMW-HRAATJIYSA-N 430.599 3.403 0 50 IGAA CCc1ccc2c(c1)[C@@H](CCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N2 1875252939 JNYZQTPXTOQQAJ-LAHFURABSA-N 435.524 3.018 0 50 IGAA Cc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c2ccccc2n1 1875256869 RYUANUCMJFGCAK-OAQYLSRUSA-N 427.501 3.152 0 50 IGAA CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)C[C@H](C)c1ccccc1 2325708711 PRPXVLHPDGYVNS-INIZCTEOSA-N 440.587 3.270 0 50 IGAA Cc1noc(CSCC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CCC(C)C)n1 2356156425 BCJZMACHTUHXPB-XWSJACJDSA-N 434.606 3.275 0 50 IGAA COc1cc(CNc2nc3ccccc3n2CCN2CCOCC2)cc(OC)c1OC 809683 UMNKGHJADBOYPO-UHFFFAOYSA-N 426.517 3.006 0 50 IGAA CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)C1 4034887 RLDKEIYHOUZXKJ-INIZCTEOSA-N 444.528 3.090 0 50 IGAA COCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc2c1Cl 4181733 CFPXWKMYFFLJAS-UHFFFAOYSA-N 428.798 3.453 0 50 IGAA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 466538420 GWSQOMAFEBKAQG-NHCUHLMSSA-N 441.503 3.137 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4cc(OC)c(OC)c(OC)c4)N3C2=S)cc1 9892256 DSOSBTOLLPMFES-YWZLYKJASA-N 446.550 3.469 0 50 IGAA COc1ccccc1-c1noc(CCCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)n1 1529114149 MBEIKUMGGABPHP-NFBKMPQASA-N 437.496 3.029 0 50 IGAA CN(CCc1ccccn1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O 11788720 KPZOGIHDUDCXMS-VWLOTQADSA-N 447.560 3.431 0 50 IGAA CCOc1ccc2nc(N3CCC(C(=O)NCCOc4cccnc4)CC3)nc(C)c2c1 12152270 NSFJVLKBOUKZJC-UHFFFAOYSA-N 435.528 3.144 0 50 IGAA CN1CCC(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 14889488 BAIHFLLTAXIERP-UHFFFAOYSA-N 442.567 3.377 0 50 IGAA CCOCCCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 14988056 VHLRTOWZMSRORN-UHFFFAOYSA-N 435.484 3.092 0 50 IGAA Cc1ncsc1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 15069799 INJTWWRWDFNFPW-IBGZPJMESA-N 428.602 3.499 0 50 IGAA O=C(/C=C/c1cccs1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19782529 MQJWOTUIWICXNM-MDZDMXLPSA-N 445.544 3.355 0 50 IGAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 478548549 JZNRUQNZMRWNCW-JCNLHEQBSA-N 431.945 3.297 0 50 IGAA O=C1[C@H](NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)CCN1c1cccc(OC(F)(F)F)c1 497484248 WAWFMOLLGQMQIL-IKGGRYGDSA-N 427.423 3.044 0 50 IGAA COc1ccc(-c2cc(CNCc3ccc(N4CCNC4=O)cc3)cc3c2OCO3)cn1 1875351515 ZBBHQMAVCCNPGO-UHFFFAOYSA-N 432.480 3.305 0 50 IGAA Cn1nc2c(c1S(=O)(=O)NC1(Cc3ccc(Cl)cc3Cl)CCC1)COCC2 2325820249 JTDBLOHFCMSBTO-UHFFFAOYSA-N 430.357 3.243 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C(N)O1 850161 PKYLHUDYXMUJFB-RUZDIDTESA-N 448.475 3.046 0 50 IGAA biogenic COc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 852364 MBHKNMHXGRHASY-INIZCTEOSA-N 449.326 3.462 0 50 IGAA Cc1ccc(SCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 2875863 URGKMQPLHIZSFA-UHFFFAOYSA-N 430.954 3.462 0 50 IGAA Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@H](C)Oc3ccccc3)s2)c1 8588039 ORMAGRDHUIOUMC-AWEZNQCLSA-N 432.527 3.078 0 50 IGAA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 9261080 MGRKFGKYPUJTQX-LQGZHCLWSA-N 430.276 3.151 0 50 IGAA O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)/C=C/c1cc(F)cc(F)c1)CC2 11913279 IRKZJRFLBJPZIS-KTBYTZPXSA-N 425.479 3.361 0 50 IGAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cc1n[nH]c2ccccc12 12445508 CTBSGMIAJUJMKH-FQEVSTJZSA-N 446.595 3.460 0 50 IGAA COCCN(C(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C)C(C)C 14879268 CZIFGGMTLSIWEY-UHFFFAOYSA-N 439.516 3.152 0 50 IGAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN(C)C[C@@H]1COCCO1 14986554 AEIVMHHUCCWRDH-MRXNPFEDSA-N 444.919 3.098 0 50 IGAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@@H](C)c2csc(C)n2)c1=O 15067748 KELDKRVLJAJJDC-HNNXBMFYSA-N 438.553 3.097 0 50 IGAA O=C1CC[C@H](N2CCN(Cc3cccc(F)c3)CC2)CCN1CCOc1ccccc1 20999424 MAZFYHPFKWSPNI-QHCPKHFHSA-N 425.548 3.403 0 50 IGAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCC(c2ccccc2)CC1 55568655 XSDGFEXWVGCOBZ-QQRRWSATSA-N 447.579 3.305 0 50 IGAA CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)C(=O)C1 170600883 QDMGHSXPJMLWQO-IBGZPJMESA-N 449.979 3.343 0 50 IGAA O=C(CC(F)(F)F)N1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 225626527 BNAUNSQZRZXRJP-UHFFFAOYSA-N 427.467 3.132 0 50 IGAA CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 252498618 RGEXABWPAKXIQQ-HNNXBMFYSA-N 449.374 3.269 0 50 IGAA CS(=O)(=O)c1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 252516320 RTVQJXWUCJZCCC-ZWKOTPCHSA-N 426.460 3.339 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H](c3ccccc3)c3nccn3C)C2=O)cc1 253412067 PTIAWSZOHKROTB-UNMCSNQZSA-N 445.523 3.264 0 50 IGAA CCc1ccc(N(CC)C(=O)CN2C(=O)N[C@H](c3ccccc3OC)C3=C2COC3=O)cc1 263618481 UACPYXOHMUNEPM-HSZRJFAPSA-N 449.507 3.188 0 50 IGAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCc1nc(-c2ccccc2)cs1 334162263 RBLWGRGBHFPWQC-UWVAXJGDSA-N 430.599 3.195 0 50 IGAA COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 676643 BVHUFINNNXVPFV-UHFFFAOYSA-N 438.505 3.464 0 50 IGAA CCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 2879170 SMCVEDADDZXCDA-UHFFFAOYSA-N 440.949 3.469 0 50 IGAA COc1cc(-c2cccnc2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 11785895 LXXCAPSPFSSNAE-UHFFFAOYSA-N 444.491 3.322 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2cccc(NC(C)=O)c2)C1 12702212 VJLDBKOESNDQHT-HSZRJFAPSA-N 444.553 3.222 0 50 IGAA O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 13678599 RAZPYSBTCQVQLI-UHFFFAOYSA-N 435.549 3.445 0 50 IGAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3C4CC5CC(C4)CC3C5)cc12 14536995 CJEAZYTUXPMDSO-UHFFFAOYSA-N 426.517 3.181 0 50 IGAA CCNc1cc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)nc(C)n1 65362474 PDSMTQVGAJDAJN-UHFFFAOYSA-N 434.928 3.242 0 50 IGAA C[C@@]1(c2cccc(CNC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O 1322308621 OSSOIANRXCXUOO-VWLOTQADSA-N 445.523 3.312 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc3cccc(C)c3nc2C)cc1OC 1529090315 GHYVWYAQSQPESE-ISKFKSNPSA-N 436.508 3.443 0 50 IGAA CNC(=O)[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(F)c(F)c1 1875254694 MDMROKBZMQUZFE-IFXJQAMLSA-N 444.507 3.394 0 50 IGAA COc1cccc(-n2nc(-c3cnn(CCO)c3)nc2-c2ccc(C(F)(F)F)cn2)c1 1875349107 MVSLOYICPIZFTK-UHFFFAOYSA-N 430.390 3.213 0 50 IGAA O=C(O)CCCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(Br)cc1 2049278424 HVQKCIHMVXRGMZ-UHFFFAOYSA-N 431.286 3.201 0 50 IGAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1I 1926719 HAIKXTQGRMYTJV-UHFFFAOYSA-N 436.249 3.016 0 50 IGAA CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccn(C)n2)c(Cl)cc1Cl 2793936 QGUWTDJPCVWSOB-UHFFFAOYSA-N 433.361 3.030 0 50 IGAA COc1ccc(CNC(=O)c2cn(CC3CCCCC3)cc(C(=O)N(C)C)c2=O)cc1 12040755 WBQITUNJMUWQKK-UHFFFAOYSA-N 425.529 3.069 0 50 IGAA CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)C1 12191577 ONUBPOCEYWGECS-OSPHWJPCSA-N 444.959 3.497 0 50 IGAA O=C(Cc1ccc(N2CCC(NCCCN3CCCC3=O)CC2)cc1)NCc1ccccc1 12454831 VTRWFFGTDHDZDJ-UHFFFAOYSA-N 448.611 3.116 0 50 IGAA O=C1C[C@H](C(=O)N2CCOc3ccc([C@@H](O)c4ccccn4)cc3C2)c2ccccc2N1 20785310 UXMITXMDJTWXQH-YADARESESA-N 429.476 3.010 0 50 IGAA C[C@@H](NC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1N1CCN(C)CC1 225414176 YZAQNCAVJAWNLG-IAGOWNOFSA-N 448.583 3.258 0 50 IGAA Cn1cc([C@@H]2CCCN2c2nc3c(c(N4CCC[C@H]4c4cnn(C)c4)n2)SCC3)cn1 241644334 PPYVIKJSHKPLFX-OALUTQOASA-N 436.589 3.275 0 50 IGAA C[C@@H]1CN(c2nc3ccccc3nc2N2CCC[C@H](c3nnc4n3CCC4)C2)C[C@@H](C)O1 301851132 BGGHCYCPZFWMTA-KURKYZTESA-N 433.560 3.165 0 50 IGAA Cc1ccc(-c2cc(NC(=O)CN3CCn4cnnc4[C@H]3C)n(-c3ccccc3)n2)cc1 484738272 FASHIWGXFFLIMP-GOSISDBHSA-N 427.512 3.455 0 50 IGAA C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 752758636 AMJKJFBVIGLTIP-BMLIUANNSA-N 426.325 3.169 0 50 IGAA O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cccc(N2C(=O)CNC2=O)c1 1875252486 DUFHQQJDXOJGDD-UHFFFAOYSA-N 449.511 3.081 0 50 IGAA CN(C)CC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCN(C)C)CC1 2325727411 CSQZDYPQKVAYOK-DJEOUUAESA-N 448.696 3.458 0 50 IGAA Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cccnc1 1049705 HSPRFAZKGLALQI-UHFFFAOYSA-N 432.509 3.364 0 50 IGAA O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2c1)N1CCCC1 3640347 ITHNLGITSMYWTN-UHFFFAOYSA-N 434.539 3.155 0 50 IGAA COc1ccc(CN2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3ccccc3)C2)cc1 14540539 WDRVSPWHMGXJPF-VWLOTQADSA-N 438.568 3.351 0 50 IGAA O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCCN1CCOCC1 20418567 ZQVAPWUDUKOJEU-UHFFFAOYSA-N 449.479 3.197 0 50 IGAA NC(=O)[C@@H]1CCCN(C2CCN(c3ccc(NC(=O)Cc4cccc(F)c4)cc3)CC2)C1 20599282 WHDNTRNYCZHPSQ-LJQANCHMSA-N 438.547 3.173 0 50 IGAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(Br)cc1 20614241 VQHORNVDMJDQEC-UHFFFAOYSA-N 437.157 3.249 0 50 IGAA COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC 39404961 LNKMJBYMYOIGDV-JOCHJYFZSA-N 428.573 3.214 0 50 IGAA COc1ccccc1CC(=O)NCCn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O 169775941 DICFRLRQAWJXEK-UHFFFAOYSA-N 430.508 3.147 0 50 IGAA C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170621513 QBUHMEOSCJEHJZ-MOPGFXCFSA-N 448.583 3.417 0 50 IGAA COc1cc(NC(=O)[C@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc(OC)c1 222000357 NHDUWZOWZYZJAG-VQWYXHOYSA-N 444.528 3.049 0 50 IGAA CN(C)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 239287439 CUBJUDWTXZYSGW-PUFAWVJESA-N 447.572 3.476 0 50 IGAA CN(C)C[C@@H](Nc1ncncc1C(=O)NC[C@@H]1CC(C(C)(C)C)=NO1)c1ccc(F)cc1 1875355969 IKIYNRCOSKMHOA-PKOBYXMFSA-N 442.539 3.251 0 50 IGAA CCOc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 1169262 XODQVOVOSSQZJN-UHFFFAOYSA-N 431.341 3.475 0 50 IGAA CCCCOc1ccccc1/C=c1/sc2nc([C@H]3COc4ccccc4O3)nn2c1=O 1823626 ACZLHPMWLQDTPF-CVNFFVDQSA-N 435.505 3.390 0 50 IGAA CCCn1c2ccccc2c2cnn(CC(=O)NCCc3ccc(OC)cc3OC)c(=O)c21 8590960 OBQMTSJTHJCMLA-UHFFFAOYSA-N 448.523 3.137 0 50 IGAA Cc1nccn1CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 11912012 DHIZRGIJWHGPQX-UHFFFAOYSA-N 439.523 3.240 0 50 IGAA COc1ccc(CN(C)CCn2ccnc2C)cc1OC[C@H](O)CN1CCCCCCC1 11936341 GCQFQRDQDSXDCB-HSZRJFAPSA-N 444.620 3.338 0 50 IGAA O=C(C1CCOCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 14981326 APZWNRDAZOAMOP-VWLOTQADSA-N 426.601 3.300 0 50 IGAA CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 20136218 IHNDTLAEFDIONE-UHFFFAOYSA-N 425.577 3.272 0 50 IGAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4ccncc4)cs3)n2)c(F)c1 61718697 MWQRFWGHVQWNHJ-UHFFFAOYSA-N 437.456 3.215 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239009605 AXOYHVJKNCUICJ-VDYOGFATSA-N 436.508 3.024 0 50 IGAA Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)cc1Br 239432965 XAJRWMRGRYGNSD-JWJZOWARSA-N 443.341 3.446 0 50 IGAA COc1ccc2c(c1)nc(CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C)n2C 253419781 SFPABOHXNXGXNU-OXJNMPFZSA-N 430.549 3.480 0 50 IGAA Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1 253420461 YADPUETTZDIPNY-WBVHZDCISA-N 431.562 3.182 0 50 IGAA Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2csc(S(N)(=O)=O)c2)c1 768897927 RQVCETKQMKXVEB-IBGZPJMESA-N 430.551 3.080 0 50 IGAA NC(=O)c1ccc(-c2nc(COC(=O)[C@H]3CCCCN3Cc3ccccn3)cs2)cc1 790080895 YFMKGRPANDNUDV-HXUWFJFHSA-N 436.537 3.402 0 50 IGAA Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC[C@@]3(O)CCN(C)C3)cc12 1875260512 SRQRVMIJOFCJJE-IBGZPJMESA-N 438.475 3.211 0 50 IGAA COc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)c1ccccc1)C[C@H]2C 2325850533 AVMYMOAYFYYNOC-HNKPZJSLSA-N 435.524 3.014 0 50 IGAA CCOc1ccc([C@H](CO)NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 2325860433 IHCLLCDHZCGGLY-NRFANRHFSA-N 433.512 3.075 0 50 IGAA CO[C@@H]1CCC[C@@H]1C(=O)N=[S@@]1(=O)CCCN(C(=O)CCCc2cccs2)CC1 2332238494 AUCZPSRGTBCGER-QLPUUCHCSA-N 426.604 3.113 0 50 IGAA O=C(COc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 675629 DLFRAFYVVHNQOF-UHFFFAOYSA-N 447.582 3.143 0 50 IGAA Cc1ccc(N(C(=O)COc2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 1154120 XIVGCXBTXKBVIA-KRWDZBQOSA-N 436.327 3.480 0 50 IGAA CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4763236 VJJCVQALEZQGME-RTWAWAEBSA-N 426.513 3.372 0 50 IGAA Cc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)CCCC(=O)O 9673740 VIUWCMGPLWOSBP-HXUWFJFHSA-N 443.525 3.299 0 50 IGAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 11815341 APGKAZLVPCVSFI-XMMPIXPASA-N 438.478 3.330 0 50 IGAA Cc1nnsc1C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12579490 SMLDRVIYHYTFQJ-QFIPXVFZSA-N 440.613 3.347 0 50 IGAA Cc1nc(C(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)cs1 14961226 YFJQBCKPVKBVLB-INIZCTEOSA-N 429.571 3.292 0 50 IGAA COCc1ccc(CN2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc34)C2)o1 15069077 RGKNKEMQBQMTEP-QGZVFWFLSA-N 429.542 3.165 0 50 IGAA COc1cccc(C[C@@]2(CCC(=O)N(C)Cc3ccc4nsnc4c3)CCC(=O)N2)c1 15069163 AYONUKHIPIVRCJ-QHCPKHFHSA-N 438.553 3.330 0 50 IGAA COc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1OC 15856073 BYGOTZRGCUVXSG-UHFFFAOYSA-N 437.584 3.260 0 50 IGAA COc1cccc(CN2CCN(C(=O)[C@H]3CCC(=O)N(CCCc4ccccc4)C3)CC2)c1 23250857 OCHZCAQFEDRLHF-DEOSSOPVSA-N 449.595 3.211 0 50 IGAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c3ccccc23)CN1C1Cc2ccccc2C1 23362308 VTRXFTZMIBEZMG-BWKNWUBXSA-N 429.564 3.294 0 50 IGAA COc1ccc(-c2cc(C(=O)N[C@H](CCSC)c3nnc4ccccn34)n(C)n2)cc1 252539133 NTOCUINXENTGKO-QGZVFWFLSA-N 436.541 3.363 0 50 IGAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)c3CO2)cc1 263616431 IPWCLWGGXWSFFD-QHCPKHFHSA-N 447.539 3.137 0 50 IGAA Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)nnn1-c1ccc(OC(C)C)cc1 731328590 IYYDLXXVORXNES-OAHLLOKOSA-N 433.512 3.373 0 50 IGAA CN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H](C(=O)O)c1ccccc1 767021285 FKPITKFHRKTSPY-NRFANRHFSA-N 438.505 3.063 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1OC 980812 BUGNKDDIIFGNHV-UHFFFAOYSA-N 438.933 3.397 0 50 IGAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(N2CCOCC2)c(Cl)c1 9235816 MVAQOHPPUFDCPE-UHFFFAOYSA-N 429.933 3.488 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697273 OTZSFVRUNGNJFG-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2C)cc1 11817992 LSRXWBBDIGUDLD-HSZRJFAPSA-N 437.584 3.224 0 50 IGAA CC(C)Cn1c(CNC(=O)Cc2ccc3c(c2)OCO3)nnc1SCc1ccncc1 12158540 SDGHOSPFXXSOTL-UHFFFAOYSA-N 439.541 3.209 0 50 IGAA Cc1cccn2c(=O)c(/C=C3\SC(=S)N=C3O)c(NCCCn3ccnc3)nc12 13403856 ZOTIFGZZUCDPIS-UVTDQMKNSA-N 426.527 3.031 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc3ccccc3c2)CN1C1Cc2ccccc2C1 19883731 ROTKDMUBHFSYHA-BDYUSTAISA-N 443.591 3.302 0 50 IGAA Cc1ccccc1C(=O)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40395860 MYXMZJIRIZNQAV-UHFFFAOYSA-N 430.855 3.452 0 50 IGAA CC[C@@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1ccc(OCCn2cccn2)cc1 225397532 SCLCFHHXNPQUHI-NRFANRHFSA-N 443.525 3.109 0 50 IGAA CC(C)ON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254747377 BLWMJVQUOBWFHN-BPOMASCZSA-N 427.111 3.003 0 50 IGAA O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 439232646 CASFYKBUWRCHLQ-UFHPHHKVSA-N 443.591 3.404 0 50 IGAA CSCC[C@@H](NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1)c1nnc2ccccn12 888090587 JWVBRRGCPKDIJO-QGZVFWFLSA-N 449.536 3.221 0 50 IGAA O=C1NCCN(S(=O)(=O)c2cccc3ncccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1319617029 DKVHAVMZNBHGCU-SFHVURJKSA-N 435.427 3.115 0 50 IGAA Cc1nn(C)cc1NC(=O)CN1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857710593 GESXQHOVWVXOPO-QFIPXVFZSA-N 439.604 3.239 0 50 IGAA CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 1064772 LCQJLTGOIGJMDL-UHFFFAOYSA-N 429.432 3.307 0 50 IGAA CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1 1195882 SKCBYQCCNWGKRK-ZCOIRKDISA-N 439.467 3.155 0 50 IGAA COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 10741891 SHFMCBABPNSFMP-IBGZPJMESA-N 425.504 3.035 0 50 IGAA Cn1cnnc1Sc1ccc(CN2CCC(=O)N(Cc3ccccc3Cl)CC2)o1 11975388 PAVUXVXFYLJHHO-UHFFFAOYSA-N 431.949 3.447 0 50 IGAA CC[C@@H](O)CNC(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 12150027 INOVHVXIAOPUBP-CQSZACIVSA-N 430.530 3.130 0 50 IGAA COc1ncccc1C(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 12757907 OAHVIOVXDCDVOC-OAQYLSRUSA-N 449.511 3.090 0 50 IGAA Cc1nonc1CNC(=O)c1c(CCc2ccccc2)n(Cc2ccncc2)c(C)cc1=O 14888637 GIJXYOOXAWNWPU-UHFFFAOYSA-N 443.507 3.007 0 50 IGAA Cc1cc(C)n(CCC(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 15065140 VZHRXCMIRFUKDD-OAQYLSRUSA-N 425.577 3.005 0 50 IGAA COc1ccccc1N1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 19720991 WAJCJOMNXLKYIN-SFHVURJKSA-N 434.323 3.456 0 50 IGAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(Cc3ccccc3)CC1)C2 23353981 YPKIDNVMVZXIAI-QFIPXVFZSA-N 435.616 3.111 0 50 IGAA COC(=O)c1ccc(-c2noc(CN3CCN([C@H]4CCc5ccccc5C4)CC3)n2)cc1 23360960 ABIDOWRYQHVNRI-QFIPXVFZSA-N 432.524 3.198 0 50 IGAA COc1cc(OC)c2c(C)c(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(=O)oc2c1 229710912 OJLYAZGEIVHZTR-APWZRJJASA-N 428.529 3.042 0 50 IGAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 252511057 DNSYTAUTIOVKHF-XFWGSAIBSA-N 448.485 3.453 0 50 IGAA Cc1ccc(Br)cc1S(=O)(=O)N1CCn2c(nnc2-c2ccccc2)C1 439221931 INXJVKQLTQXSIP-UHFFFAOYSA-N 433.331 3.221 0 50 IGAA O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(I)cc1 1064516 OEZPDHUVOTYTFD-UHFFFAOYSA-N 426.239 3.400 0 50 IGAA COc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4nncs4)cc3)CCOCC2)cc1 9041587 KUKLQJXLLNRGSI-UHFFFAOYSA-N 438.509 3.486 0 50 IGAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C=O)cc2)CC1)c1ccccc1 11872946 VJTRXMHUJMJXSQ-QHCPKHFHSA-N 446.507 3.499 0 50 IGAA Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 12127761 UDFJFMFZDMNWPP-CQSZACIVSA-N 436.603 3.251 0 50 IGAA CC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)C1 12191578 ONUBPOCEYWGECS-XDHUDOTRSA-N 444.959 3.497 0 50 IGAA OCCOc1ccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 12197471 BGYXIDSLXSUJKM-NRFANRHFSA-N 442.629 3.415 0 50 IGAA COc1ccc(CNCC2(O)CCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12467239 ADTSETPBKLTFOU-HSZRJFAPSA-N 442.600 3.352 0 50 IGAA CCN1C[C@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1=O 12612259 KKWVWDGAQVCNNS-QFIPXVFZSA-N 449.595 3.371 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccc(Cl)cc1)C2 14533216 JOOUYDDBRKZQOT-HXUWFJFHSA-N 445.007 3.355 0 50 IGAA COCCCn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCN(c2ccccc2)CC1)C3 14971756 FKBJJPQFDXSSKY-LJQANCHMSA-N 438.597 3.174 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 20775630 JXOLNTVFAAKCBG-CTNGQTDRSA-N 437.918 3.114 0 50 IGAA C[C@](Cc1ccccc1)(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)O 170671871 ZSNDGMOOGSHVPJ-RUZDIDTESA-N 427.460 3.202 0 50 IGAA O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 436914421 LNKXVILAERLYDU-LLVKDONJSA-N 432.267 3.476 0 50 IGAA Cc1nc(C(F)(F)F)ccc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CCN(C)CC1 488590231 BNIBGZOWSRGHCC-LJQANCHMSA-N 446.473 3.144 0 50 IGAA O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1sccc1-c1ccccc1 492710616 ZMGTWPOHOOQLIS-IBGZPJMESA-N 449.580 3.441 0 50 IGAA C[C@]1(C2CCN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CC2)NC(=O)NC1=O 748375753 OOSCIORJTHIXHS-RUZDIDTESA-N 446.482 3.491 0 50 IGAA O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC[C@@]2(CCCc3ccccc32)C1 753321570 QYCRLCROOCDDPS-SVBPBHIXSA-N 443.547 3.277 0 50 IGAA COCCc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)n1 824462318 GOVITPHGKOYJRV-AWEZNQCLSA-N 436.490 3.039 0 50 IGAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 1704307174 VIDWPZHXLNCMSG-UHFFFAOYSA-N 431.584 3.480 0 50 IGAA O=C(N[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(-n2cccn2)n1 1875318001 JKRJMMWOYOHVAH-KRWDZBQOSA-N 430.295 3.500 0 50 IGAA O=C(N[C@@H](CNC(=O)[C@H]1C[C@@H](O)C1)c1ccc2ccccc2c1)c1cncc2[nH]ccc12 1875360259 CWWUTDMNPSHKOW-JQVVWYNYSA-N 428.492 3.074 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 824428 MTAPMLOXBNFTNQ-LBPRGKRZSA-N 427.320 3.251 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)cc1 2207313 RILCERUYMNGOTH-UHFFFAOYSA-N 430.555 3.476 0 50 IGAA O=C(Nc1ccccc1)c1ccc(NCc2ccco2)c(S(=O)(=O)N2CCOCC2)c1 2850414 VLHQSVTXMIXZBR-UHFFFAOYSA-N 441.509 3.165 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1)N1CCN(c2ccccn2)CC1 12439483 MNIAFHSDNFBXJV-HXUWFJFHSA-N 438.547 3.131 0 50 IGAA COc1cccc(CC(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)[C@@H](OC)c3ccccc3)C2)c1 12508511 FERYSFQOADKJLH-PFATUAPWSA-N 436.552 3.465 0 50 IGAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cn3ccccc3n2)c1=O 15007502 PVUGYHCMEGRCMT-UHFFFAOYSA-N 449.555 3.317 0 50 IGAA O=C(Nc1cccc(N2CCC(NCC3(N4CCOCC4)CCCC3)CC2)c1)C1CC1 23361887 WBNVAJVRTVPENM-UHFFFAOYSA-N 426.605 3.239 0 50 IGAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 32476152 LOXHYEMNCBBPFA-VOSMRYOYSA-N 441.512 3.467 0 50 IGAA C[C@H](NC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1N1CCN(C)CC1 225414217 YZAQNCAVJAWNLG-IRXDYDNUSA-N 448.583 3.258 0 50 IGAA O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)SC[C@@H]2N1 253410026 MSZOZNMULIEBGL-JPLJXNOCSA-N 427.574 3.342 0 50 IGAA biogenic C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 476864623 UGOVOKJJGHONJO-CQSZACIVSA-N 437.359 3.379 0 50 IGAA CC(C)Cn1c([C@@H](C)NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 888089215 OTYIKVMNNMDJOM-OXQOHEQNSA-N 447.539 3.400 0 50 IGAA O=C(c1n[nH]c2c1CCC2)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857701843 RGOPLAKZNWGLDR-LJQANCHMSA-N 436.556 3.137 0 50 IGAA O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 780770 LSYPYHLOVALHRH-UHFFFAOYSA-N 447.919 3.381 0 50 IGAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5ncccn5)CC4)c3n2)cc1 815341 MODWJWUOFLHWAX-UHFFFAOYSA-N 449.465 3.395 0 50 IGAA C/C=C(\C)CN1CCc2c(C(=O)OC)c(OCCc3ccccc3F)cc(=O)n2CC1 12194514 CFYMDVBYSCYKFN-HAVNEIBRSA-N 428.504 3.220 0 50 IGAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)Cc1csc(C)n1 12333514 VTBYBFNWCOAMCN-UHFFFAOYSA-N 428.558 3.292 0 50 IGAA CCOc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)cc1 20292846 RXOWGDRROFDFNG-UHFFFAOYSA-N 429.571 3.391 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 101732149 GIBBJOHGBGROMH-VCXDHIOWSA-N 425.710 3.462 0 50 IGAA O=C(Oc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239174482 QCGPCNACJMKCBD-NQNIXMJNSA-N 431.463 3.396 0 50 IGAA CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)CCCC2)no1 239722504 CDAFAKMHTWTGEC-UHFFFAOYSA-N 448.589 3.373 0 50 IGAA CSCC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247543868 TUIAVEMORXUEKY-GUDVDZBRSA-N 443.569 3.271 0 50 IGAA O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)N1CCCN(c2ncccc2F)CC1 800763982 VOBPMOZPSLBSAM-NRFANRHFSA-N 435.503 3.046 0 50 IGAA CCn1cc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cn1 1857706680 NJIZKNLQWAYPIA-NRFANRHFSA-N 446.617 3.164 0 50 IGAA C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)C1 1875260350 PLHQIBLNUKKQDB-WMZHIEFXSA-N 428.598 3.191 0 50 IGAA Cc1c(Cl)nc(-c2ccccn2)nc1N1CCN(Cc2nc3ccccc3c(=N)[nH]2)CC1 1875335015 OXUJPDNAWSKCFP-UHFFFAOYSA-N 446.946 3.178 0 50 IGAA COc1cc2[nH]c(=NC[C@H]3CCN(C)[C@@H]3c3cccc(Cl)c3)[nH]c(=N)c2cc1OC 2325731533 VQUQBEMLSAZVAA-JLTOFOAXSA-N 427.936 3.240 0 50 IGAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 2325850348 VLPITJOGIKJFDV-OPAMFIHVSA-N 432.524 3.335 0 50 IGAA CCNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 8653743 AHFRUIGGNIFVPP-FQEVSTJZSA-N 441.553 3.122 0 50 IGAA COc1ccc(CNCc2cnn(C)c2C)cc1OC[C@@H](O)CN1CCCCCCC1 12298799 YCWDKYVXXWWZDQ-QFIPXVFZSA-N 430.593 3.033 0 50 IGAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1(c2ccccc2)CC1 12457636 CRLZOSNQHIPWHP-XMMPIXPASA-N 427.633 3.390 0 50 IGAA O=C(CCCc1cccs1)N1CC(=O)N(Cc2cccnc2)C[C@@H](OCC2CC2)C1 14530537 YULXSVVAPNVBDR-HXUWFJFHSA-N 427.570 3.132 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 14975715 BGLNCHCOIDMHPL-RUZDIDTESA-N 426.649 3.272 0 50 IGAA CCCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccccc3o2)n1C[C@H]1CCCO1 20351967 RQQCLYMVQXRIFG-QGZVFWFLSA-N 432.546 3.019 0 50 IGAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c1 20909918 ITUJESOMQBOYPY-OAHLLOKOSA-N 441.482 3.114 0 50 IGAA COc1cccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(CCCc4ccccc4)C3)CC2)c1 23250854 OCHZCAQFEDRLHF-XMMPIXPASA-N 449.595 3.211 0 50 IGAA CCCN1CCC(N2C[C@H](NCc3ccccc3C(F)(F)F)C[C@H]2C(=O)NCC)CC1 23362379 FMOCWWQEVMNWSP-NQIIRXRSSA-N 440.554 3.248 0 50 IGAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 169689172 PGCKAJIVIJLFNR-DAYGRLMNSA-N 442.777 3.173 0 50 IGAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239025294 BJBDAEZKFMEYKA-PWUPWFRFSA-N 448.302 3.161 0 50 IGAA CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)c1nc2ccccc2n1C 252492756 MVDAQESDJUJWHH-YCRPNKLZSA-N 430.512 3.316 0 50 IGAA CC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 299761023 QHGGCDVLYLDKSR-IQGLISFBSA-N 442.531 3.373 0 50 IGAA O=C(CCn1cnnc1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705799 WHXXKCAHLLWOHH-QFIPXVFZSA-N 425.577 3.157 0 50 IGAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)c3cc[nH]c3)C[C@@H]21 1875240948 KOLSINRGTLFLCT-RBUKOAKNSA-N 447.491 3.192 0 50 IGAA CC(C)(C)c1cccc(OCCNC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 1875254502 CFILCOHEMVUMFA-SFHVURJKSA-N 441.547 3.261 0 50 IGAA O=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1875329886 ILFXWQXRXVKSQN-DGCLKSJQSA-N 435.368 3.461 0 50 IGAA CCO[C@H](C)c1nc(C(=O)NS(=O)(=O)c2ccc(OC)c(Br)c2)cs1 2325735280 BIQGQQFCYLWAPZ-SECBINFHSA-N 449.348 3.130 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)[C@@H]2CCCc3ccccc32)CC1=O 2325819399 DBRVAOPSBARPLQ-OZOXKJRCSA-N 426.538 3.120 0 50 IGAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 11815339 APGKAZLVPCVSFI-DEOSSOPVSA-N 438.478 3.330 0 50 IGAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCc2ccccc2OC)C3)nn1 12042573 XLAYEFNITNYZNU-GOSISDBHSA-N 437.471 3.352 0 50 IGAA COc1cc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OCCC(C)C 13136488 LLGXDNBBUQAQNN-XSFVSMFZSA-N 449.532 3.159 0 50 IGAA COc1cccc(CN2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)c1 14530823 QMHFLCXEWFZDES-UHFFFAOYSA-N 437.569 3.247 0 50 IGAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N[C@H]2CCOC(C)(C)C2)c1=O 15002188 OJPCEGQBJBHTSB-SFHVURJKSA-N 431.577 3.254 0 50 IGAA CCNc1nc(NCC)nc(Sc2nnc(SCC(=O)c3ccc(F)cc3)o2)n1 19891700 XNVXJKCDESFPKH-UHFFFAOYSA-N 435.510 3.384 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N(C)Cc2nccn2C)c1 23339421 VHZFBTYAXVKBMJ-UHFFFAOYSA-N 426.561 3.487 0 50 IGAA CCOC(=O)c1csc(C2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)n1 170613571 ZDCBHIGJIZGCAG-UHFFFAOYSA-N 441.509 3.143 0 50 IGAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 238901069 KTJKIOWZFACJIX-VVSUKSJXSA-N 447.645 3.152 0 50 IGAA biogenic CCOC(=O)c1ncn(C2CCN(C(=O)Nc3ccc4oc(CC)nc4c3)CC2)c1N 253425397 TUHXIGUIVDCCHO-UHFFFAOYSA-N 426.477 3.215 0 50 IGAA O=C(Nc1cccnc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 263617415 NRZQZRBNVIQMMM-NRFANRHFSA-N 431.496 3.041 0 50 IGAA Cn1c(=O)nc(O)c2nc(/C=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(O)nc21 328598191 KXNLVESHRKAFEJ-OUKQBFOZSA-N 438.447 3.158 0 50 IGAA O=C(O)COc1ccc(-c2ccccn2)cc1CN[C@@H]1CCCN(C(=O)c2ccco2)C1 1506421955 LZXGYSANRLWDBG-LJQANCHMSA-N 435.480 3.199 0 50 IGAA O=C1NCCc2ccc(-n3ccnc3-c3ccc(OCC(=O)N4CCCCC4)cc3)cc21 1772805476 LVCRACCRXIRJSJ-UHFFFAOYSA-N 430.508 3.217 0 50 IGAA NC(=O)c1ccc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cc1 1857702172 CGJFNXXIRPTRDU-QHCPKHFHSA-N 435.568 3.498 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)NCC3CCCCC3)cc2)co1 1875252632 JJZWBYZRIPBFHH-NRFANRHFSA-N 431.558 3.500 0 50 IGAA COc1cc2cc(Cl)[nH]c(=NC[C@H]3CN(Cc4ccncc4)CCO3)c2cc1OC 1875341820 JNPNOBFXSFFLCE-KRWDZBQOSA-N 428.920 3.035 0 50 IGAA COc1ccc(N[C@H]2CC(=O)N(c3ccc(I)cc3C)C2=O)cc1 1059628 QUDUDLBPKUZIRW-HNNXBMFYSA-N 436.249 3.352 0 50 IGAA COc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)cc1 1119311 SBGRWHGHSRUCFF-HNNXBMFYSA-N 439.541 3.354 0 50 IGAA C[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccccc1)S(C)(=O)=O 2993117 NCHPQIOLWCZKMC-GFCCVEGCSA-N 444.294 3.084 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 9043235 BBQFDGCEQVMYSK-ZPBCLNFZSA-N 436.533 3.299 0 50 IGAA CCOC[C@H](O)CNC(=O)c1ccc(OC2CCN(CC(C)(C)C)CC2)c(Cl)c1 11843264 GRUYDEODRINIIX-QGZVFWFLSA-N 426.985 3.357 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CC2=CSC3=NCCN23)C1 11843919 NPMDHNZDERDXGG-JOCHJYFZSA-N 449.523 3.329 0 50 IGAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CCc2cccnc2)O3)cc1 11970575 OLUKILFJQYPYJB-OAQYLSRUSA-N 436.533 3.205 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1 12191776 CDDZVZGXEYJPMC-UHFFFAOYSA-N 426.502 3.470 0 50 IGAA CCN1CCN(c2nc3cc4c(cc3cc2CN[C@H]2CCOC(C)(C)C2)OCO4)CC1 12210489 SKNUUFOYEWOCMO-IBGZPJMESA-N 426.561 3.153 0 50 IGAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCc1ccccn1 12243135 QDVYRGPQYCKCID-LAUBAEHRSA-N 441.959 3.490 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1c[nH]c2ccccc12 12587682 NVTUWJDMXSRCMG-VWLOTQADSA-N 440.547 3.371 0 50 IGAA Cc1ccc(Cl)c(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n2)c1 13960014 KQJPXCAWSWLAJU-KRWDZBQOSA-N 434.777 3.302 0 50 IGAA CN(CCc1ccccc1)C1CCN(c2ccc(CC(=O)N3CCC(O)CC3)cc2)CC1 14883714 DUPHDJZXPIUGIM-UHFFFAOYSA-N 435.612 3.356 0 50 IGAA COC(=O)c1c(OCCCc2ccccc2)cc(=O)n2c1CCN(C(=O)C(C)(C)C)CC2 14889046 ARUZZDWDKAIXFE-UHFFFAOYSA-N 440.540 3.077 0 50 IGAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1sccc1C(=O)OC 19644909 WVYXDVIYUHPGRC-UHFFFAOYSA-N 446.554 3.476 0 50 IGAA COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CCN(Cc1ccc(C)cc1)CC2 20778959 VOJXBEDWMAHFFL-UHFFFAOYSA-N 447.535 3.018 0 50 IGAA CN(Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1)C[C@H](O)c1ccccc1 20913861 WFISPVAQLOMMGA-NRFANRHFSA-N 425.916 3.124 0 50 IGAA Cc1cccc(N2CCC(N3CCC(n4nccc4NC(=O)[C@@H]4CCOC4)CC3)CC2)c1 39454937 FDZKRSYWILXDCJ-HXUWFJFHSA-N 437.588 3.472 0 50 IGAA CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1nccc2ccccc12 170599612 HPVCTLDSTVXRGM-SFHVURJKSA-N 440.544 3.261 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@]12C 257349668 QAQQLQSWRWRRJU-UZROEJBWSA-N 448.556 3.471 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 409414816 OYAHLUCCWAKOQL-KBOSCXGNSA-N 441.616 3.336 0 50 IGAA biogenic O=C(NCCC1=CCNCC1)N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952893743 OHEUTMULHXEVID-HXUWFJFHSA-N 435.450 3.262 0 50 IGAA O=C(NC[C@H]1CCCCN1Cc1coc(-c2cccc(-c3nn[nH]n3)c2)n1)c1ccccc1 1875341508 VYKCITVWTPOUFS-OAQYLSRUSA-N 443.511 3.306 0 50 IGAA Cc1cccc2c1CCO[C@@H]2C(=O)N[C@@H]1CC[C@H](NC(=O)c2ccnn2CC2CCC2)C1 2325839154 KJZOKEKKHGJIBI-YYDVJCTNSA-N 436.556 3.073 0 50 IGAA CCO[C@H](C(=O)N1CCC[S@](=O)(=NC(=O)[C@H](CC)OC2CCCCC2)CC1)C1CC1 2332238268 JUIUCRVKYGHIDA-PRWCENSBSA-N 442.622 3.156 0 50 IGAA CC[C@H](C)[C@H](C)C(=O)N1CCC([S@](C)(=O)=NC(=O)c2ccccc2-n2ccnn2)CC1 2332238996 SYUZVZYSLICLLB-AAFFQKGLSA-N 445.589 3.179 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(Cl)cc2)cc1 916219 ZFNPSKOVFPXVAJ-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1I 1098930 NSXZQRDVWDXZPY-UHFFFAOYSA-N 441.221 3.347 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1 1750106 ZKVQXJQPGWJBOI-UHFFFAOYSA-N 429.498 3.044 0 50 IGAA COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2883205 DUBKDBGFVCQYAE-UHFFFAOYSA-N 440.477 3.292 0 50 IGAA COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 3267366 QLZUSWOYKLPEGM-LJQANCHMSA-N 427.478 3.462 0 50 IGAA CNC(=O)N(O)[C@@H]1N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C(=S)SC1(C)C 3876673 GKOGLHNQZQKESQ-JTQLQIEISA-N 438.362 3.499 0 50 IGAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1[C@H]1CCN(Cc2ccccc2)C1 12279397 SRRODPDCOZNMTK-GOTSBHOMSA-N 425.548 3.450 0 50 IGAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 12648880 XGLJEPDXEVQGDL-CBKSTNSXSA-N 440.500 3.016 0 50 IGAA CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 16578683 BNNWBEUTNUIPIO-UHFFFAOYSA-N 429.542 3.351 0 50 IGAA CCn1ncc([C@@H]2C=C(c3ccc(I)cc3)Nc3ncnn32)c1C 20606569 SALSTOLRWKYNEE-INIZCTEOSA-N 432.269 3.464 0 50 IGAA Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 33088157 IVKBXCOLOARXFF-CQSZACIVSA-N 427.390 3.420 0 50 IGAA O=C(c1nn(-c2ccccc2)c2c1CCCCC2)N1CCn2c(nnc2-c2cccnc2)C1 225486674 BPLLUKVEMATDTD-UHFFFAOYSA-N 439.523 3.451 0 50 IGAA CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 261490110 ZNSYKAPBCWLIAY-KSSFIOAISA-N 437.393 3.492 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)nn1 726533870 MWMAVMTYALMTSQ-QZTJIDSGSA-N 426.521 3.057 0 50 IGAA CCCn1c(=O)nc(O)c2c(C(=O)N3CCn4c(Cl)ccc4[C@H]3C)cc(C3CC3)nc21 819860730 VZDITAMVPJMRHW-GFCCVEGCSA-N 441.919 3.456 0 50 IGAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2sc(N3CCOCC3)nc2C)cc1 1857721506 RYPKYZADARYGIM-FQEVSTJZSA-N 445.585 3.161 0 50 IGAA CN(C)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 724672 CPMFFPWCRDFYHS-UHFFFAOYSA-N 425.295 3.484 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1OC 869486 UKVHBWYUIRNOMG-UHFFFAOYSA-N 444.509 3.117 0 50 IGAA Cc1ccccc1NC(=O)C1(N(Cc2ccco2)C(=O)Cc2n[nH]c(N)n2)CCCCC1 974317 YMHIVBXODDXMRH-UHFFFAOYSA-N 436.516 3.201 0 50 IGAA C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccccc2F)n1C 1060429 ZBRFXVNQLQQROL-GFCCVEGCSA-N 431.468 3.315 0 50 IGAA Cc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O 2984947 DDOAQVABENXREW-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3598063 BMOVFAZAIICPQG-UHFFFAOYSA-N 436.917 3.173 0 50 IGAA O=C1C[C@](CC(=O)N2CCCC[C@@H]2CO)(c2ccc(-c3ccccc3)cc2)C(=O)N1C1CC1 11784241 XKNTXCXESCGMPV-YIXXDRMTSA-N 446.547 3.276 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)Cc2ccc(C)cn2)CC1 12307581 OTHVXEXIAAMAPV-LJQANCHMSA-N 441.572 3.249 0 50 IGAA CC[C@H](O)C1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)CC1 12750080 MBJHAUVEIDYKQV-QFIPXVFZSA-N 444.572 3.098 0 50 IGAA O=C1N[C@H](CC(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)c2ccccc21 14956370 LUWSNPPKLNRJRW-LJQANCHMSA-N 445.441 3.141 0 50 IGAA O=c1c(-c2ccc(Cl)cc2)coc2cc(OCCN3CCN(CCO)CC3)ccc12 95612551 AFFCLNKQNZVYFV-UHFFFAOYSA-N 428.916 3.102 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)c1 263617536 OGWPMHZFEHDFIU-JOCHJYFZSA-N 435.503 3.268 0 50 IGAA CON(C)C(=O)[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1454356945 HVHVYVQXTMYBCE-NHYWBVRUSA-N 448.347 3.426 0 50 IGAA COc1cn(C)c(C(=O)N2CCc3cc(O)ccc3[C@H]2COCc2ccccc2)cc1=O 2325877135 KBIKVPJACGSJON-JOCHJYFZSA-N 434.492 3.056 0 50 IGAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21 1061613 BTKNCOCAXKQCEZ-UHFFFAOYSA-N 446.550 3.435 0 50 IGAA aggregator CCOC(=O)c1c(C)n(C[C@@H](O)CNC(C)C)c2cc(Br)c(OC)cc12 1228258 PSQKGIFUJXSCLW-ZDUSSCGKSA-N 427.339 3.256 0 50 IGAA Cn1c(=O)c2c(nc(NCCCc3ccccc3)n2Cc2cccc(Cl)c2)n(C)c1=O 9434607 PLVXJAOFBUVDTF-UHFFFAOYSA-N 437.931 3.180 0 50 IGAA biogenic CN(Cc1ccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1)Cc1ccon1 11785196 SHEJMOUIOMUWKK-LJQANCHMSA-N 449.555 3.450 0 50 IGAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12054704 PBUIWQTXVNZEOK-OAHLLOKOSA-N 426.448 3.180 0 50 IGAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N[C@@H](c1ccccn1)C(F)(F)F 12315006 VVNKYEKYYXQUDN-IBGZPJMESA-N 434.374 3.137 0 50 IGAA O=C1NCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)[C@@H]1c1cccc(F)c1 12436127 GMZMKERCJOZNQU-JOCHJYFZSA-N 446.438 3.254 0 50 IGAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)cc1 12466347 MBCGJBDEDNSMBM-QFIPXVFZSA-N 432.568 3.376 0 50 IGAA COc1ccc(/C=C/CN2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 12594797 YSCYMVPQCNMHRQ-GECPCNCSSA-N 430.570 3.408 0 50 IGAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c(Cl)c1 12596712 ARMKCZAJOGIBEA-KRWDZBQOSA-N 433.980 3.358 0 50 IGAA COc1ccc2c(c1OC)C(=O)N(c1ncn(Cc3ccc(Cl)c(Cl)c3)n1)C2=O 20606623 QNYSIUCBYCUASS-UHFFFAOYSA-N 433.251 3.451 0 50 IGAA O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1 43152787 HUNGUWOZPQBXGX-UHFFFAOYSA-N 431.536 3.319 0 50 IGAA investigational COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 170639271 KNYIJMKZUJYMRB-MRXNPFEDSA-N 428.920 3.136 0 50 IGAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@H](c3cc(OC)ccc3OC)C2)c1 225848898 VVEHBMIHXUWIAA-IBGZPJMESA-N 442.468 3.264 0 50 IGAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3CCn4cccc4[C@H]3C)cc2)C1 251769653 DZJFRWVLWQRUFH-CEXWTWQISA-N 444.601 3.170 0 50 IGAA CN1CCC[C@]2(CO)CCN(Cc3cc(Cl)ccc3OCCCn3ccnc3)C[C@@H]12 1704306540 WIRRMXWIFXBPIM-DHIUTWEWSA-N 432.996 3.284 0 50 IGAA O=C1CC[C@H](CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)CCN1 1875315544 ZGGXTUDIRQPLHK-INIZCTEOSA-N 437.569 3.269 0 50 IGAA Cn1ncc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2nn[nH]n2)c1Cc1ccccc1 1875358129 KMESJMGREWZBOF-SFHVURJKSA-N 441.417 3.062 0 50 IGAA COC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccco2)cc1 9058323 QRQSZMRXEBIPBN-GZTJUZNOSA-N 434.404 3.205 0 50 IGAA Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](CNC(=O)c1cccc(Cn3cccn3)c1)C2 11868914 PBEVRHFXXIUOSP-OAQYLSRUSA-N 425.492 3.430 0 50 IGAA CCS(=O)(=O)c1ncc(CN(CC2CC2)C[C@@H]2CCCO2)n1CCc1ccccc1 11935373 MMOSWPHPMOALFW-QFIPXVFZSA-N 431.602 3.310 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)c1ccccc1-n1cccn1)CC2 11968364 ZVLHHLRHZIMGEK-LJQANCHMSA-N 444.491 3.482 0 50 IGAA CC[C@H](C)CN1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(CCCN(C)C)C2=O)CC1 11997437 STADMWLPXZBUGI-UQBPGWFLSA-N 446.611 3.369 0 50 IGAA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1OC 12848927 MGJJTHVWXMJXAY-CXAGYDPISA-N 440.422 3.033 0 50 IGAA COc1cc(/C=C/CN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)ccc1O 14532741 BQQALTHQSOVBGI-RMKNXTFCSA-N 432.524 3.136 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccsc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 15008594 YHVNSYXWFPVLKW-CVDCTZTESA-N 446.617 3.175 0 50 IGAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 15077485 GLUNPFTUMQRGQW-HJFDCUHHSA-N 445.554 3.330 0 50 IGAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(F)cc1 16214237 HTXYMIYFXIRHQE-UHFFFAOYSA-N 447.532 3.293 0 50 IGAA COc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1 19789562 HFHSAKHGNWHOLW-UHFFFAOYSA-N 433.537 3.300 0 50 IGAA CCCS(=O)(=O)c1ncc(CN(C)CCn2ccc3ccccc32)n1C[C@@H]1CCCO1 20599697 VGRGBQUQZFLSJX-NRFANRHFSA-N 444.601 3.333 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1Cl 33326783 SXYMESOFALGFPT-UHFFFAOYSA-N 430.940 3.401 0 50 IGAA O=C(CS[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)Nc1ccc(Br)cc1 87711573 UUUMUVJUZBKBLM-QGZVFWFLSA-N 447.354 3.491 0 50 IGAA CCCOc1ccc2ccccc2c1CN(C)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 248038116 JVDRQXQXVPXVQL-QUCCMNQESA-N 446.613 3.485 0 50 IGAA CC1CCN(c2nc(O)c3c(n2)NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)C3)CC1 253537495 GRRUWUFYGIFGHT-ZDUSSCGKSA-N 429.908 3.212 0 50 IGAA Cc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)c(CO)c4c3=O)n2)cc1 263615946 GDWBRELLTLYXEQ-UHFFFAOYSA-N 427.464 3.370 0 50 IGAA CCc1cc(O)nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)OC)oc3CC)c2)n1 484631421 SVMVMDNJTJSBKJ-UHFFFAOYSA-N 431.470 3.154 0 50 IGAA COc1cccc(OCCN2CCN([C@@H](C(=O)O)c3cc(C)c(OC)c(C)c3)CC2)c1 1529106445 PWEAVWHLOHHKFF-JOCHJYFZSA-N 428.529 3.143 0 50 IGAA Cc1noc2ncc(C(=O)NC[C@H]3[C@H](C)CCCN3C(=O)c3cnc4onc(C)c4c3)cc12 1875264748 UXRRQBRXFHSZHC-BLVKFPJESA-N 448.483 3.047 0 50 IGAA O=C(NC[C@@H]1CCC[C@@H]1O)c1cncnc1N1CCC[C@@H](Oc2ccccc2Cl)C1 1875360676 FOBMFLRJAWBAGH-FCEWJHQRSA-N 430.936 3.069 0 50 IGAA Cc1cc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)nc2ccccc12 2100483554 DGTQKSBPZLLEPN-UHFFFAOYSA-N 431.540 3.360 0 50 IGAA O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2 778469 GAAUQJFNSWTWSQ-UHFFFAOYSA-N 435.465 3.441 0 50 IGAA CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 986425 BOTXKRQQEFJLOB-UHFFFAOYSA-N 426.560 3.307 0 50 IGAA O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1128359 NUGSGYLTEWRFCE-MRXNPFEDSA-N 427.295 3.380 0 50 IGAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(OC)c1OC 1782923 JMJIZPSAMGNBEX-UHFFFAOYSA-N 449.510 3.222 0 50 IGAA CC(=O)Oc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 2533443 LSKXYLBENRLCKF-MHWRWJLKSA-N 442.294 3.054 0 50 IGAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccn3-c3ncccn3)N3CCC[C@@]123 12023899 VQQUOKFSANBUJJ-CHZKFRDHSA-N 425.536 3.173 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 169677604 FXWWUJWKYUULRA-DHNNRRLOSA-N 429.586 3.229 0 50 IGAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nn2)n1 169778183 VXZDQLGWDQOGSG-ZDUSSCGKSA-N 436.394 3.437 0 50 IGAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 229417853 CLJSSRWBCAOWQK-GVDBMIGSSA-N 441.553 3.374 0 50 IGAA Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239046999 GBTWCVJQXKPJCD-GJJTXNNQSA-N 449.732 3.403 0 50 IGAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 242346933 ZKHDXGKPRWHBAW-PERKRYKHSA-N 428.554 3.197 0 50 IGAA COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)C2=O)c1 252537428 LDSDGAWHUCYGMI-QYWGDWMGSA-N 447.413 3.316 0 50 IGAA O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccc(F)cc21 252551867 UIIYFZDIECPVNN-HXUWFJFHSA-N 436.487 3.044 0 50 IGAA CCOC(=O)c1csc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)n1 252680145 WNTRFIHTEXAPSN-SHTZXODSSA-N 440.525 3.475 0 50 IGAA COc1ccc(-c2cc3n(n2)[C@H](NCc2cccc(Br)c2)CNC3=O)cc1 263619410 YOSHKCNOGZJCHO-IBGZPJMESA-N 427.302 3.353 0 50 IGAA Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)N[N+](=c1[nH]c3ccccc3s1)C2=O 334157121 QVAVETSHIHFCBY-UHFFFAOYSA-O 442.524 3.377 0 50 IGAA COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)ccc1OCC(N)=O 467503491 PKEHKJWINODKHL-IBGZPJMESA-N 436.512 3.467 0 50 IGAA CN(C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@@H](CO)Cc1ccccc1 1310276481 OAUUQCDTJGDDSB-RTWAWAEBSA-N 426.517 3.054 0 50 IGAA Cn1c(CN2C(=O)CCN(C[C@]3(c4ccccc4)CC3(C)C)C2=O)nc2ccccc2c1=O 1875329429 VPTSWRRJOSFDLC-SANMLTNESA-N 444.535 3.456 0 50 IGAA O=C1Nc2ccc(S(=O)(=O)Nc3nn(-c4ccc(F)cc4)c4c3CCC4)cc2C1(F)F 1875335892 KGXNQGWDJYINAZ-UHFFFAOYSA-N 448.426 3.345 0 50 IGAA O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nn[nH]n2)c(O)c1)c1ccc(Cl)c(Cl)c1 1875340207 QIPUIVZHQHSBRW-OAHLLOKOSA-N 447.282 3.442 0 50 IGAA COC(=O)c1cc(C(=O)N(CCO)Cc2cccc(Br)c2)n2c1CCCC2 1875343697 RLNPLVWFGQXKNA-UHFFFAOYSA-N 435.318 3.008 0 50 IGAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)cc1 1875373952 VXTXTAAGOFNURC-GOSISDBHSA-N 442.313 3.281 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCc2ccccc2C1 801248 VWLGEIWOKTYVHZ-UHFFFAOYSA-N 428.554 3.261 0 50 IGAA COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@](O)(c2ccc(Cl)cc2)C1 1213917 SQBIDZGSWLVWJR-GOSISDBHSA-N 437.677 3.323 0 50 IGAA COc1ccccc1NC(=S)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 1738348 AYISYZSRISHDLD-UHFFFAOYSA-N 425.510 3.365 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)O1)C1CCCCC1 11973698 GDAHOYRITYENFR-HXUWFJFHSA-N 442.556 3.308 0 50 IGAA CCc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)on1 19606887 KHGBMODILCBHFN-QHCPKHFHSA-N 448.523 3.036 0 50 IGAA COC(=O)CN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 97757355 YFZLTYJMJSODTF-FQEVSTJZSA-N 426.469 3.209 0 50 IGAA Cc1nccn1-c1ccc(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cn1 225504027 PHFMAEYSGNFDMM-UHFFFAOYSA-N 439.313 3.255 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239009603 AXOYHVJKNCUICJ-HWUPLGCXSA-N 436.508 3.024 0 50 IGAA Cc1c(Br)ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239231233 VENFRQYFYMXZHF-BISJRSAGSA-N 443.341 3.448 0 50 IGAA Cc1ccc(CCNC(=O)c2ccc(NC(=O)c3cc4c(O)nc(C)cn4n3)cc2)cc1 263619635 ZRVYFOYHFRGKTG-UHFFFAOYSA-N 429.480 3.277 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)[C@H]2CCCN2c2nc(C)c3cc(OC)ccc3n2)o1 299797910 CZDHFAJLNSVQTR-LJQANCHMSA-N 438.484 3.002 0 50 IGAA O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1cc(-c2cccc(F)c2F)[nH]n1 473653317 GGLBALRYUYEZHD-UHFFFAOYSA-N 425.439 3.451 0 50 IGAA Cc1coc(-c2ccc(C)c(S(=O)(=O)NCc3cc(F)ccc3N3CCOCC3)c2)n1 1474984813 DARCEUFXVFUIAG-UHFFFAOYSA-N 445.516 3.413 0 50 IGAA CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2nncs2)C1 1875254849 AHISCQBPWGFIFK-TZMCWYRMSA-N 441.513 3.165 0 50 IGAA COCCNC(=O)Cn1cc(NC(=O)c2ccc(Oc3ccc(C(C)C)cc3)nc2)cn1 1875260412 ZHCQUGBLSZCTGX-UHFFFAOYSA-N 437.500 3.209 0 50 IGAA O=C(O)CCc1nn2c3ccccc3n(CCOc3ccc(Cl)cc3Cl)c2nc1=O 12360392 XPMUGPPCXGENRY-UHFFFAOYSA-N 447.278 3.447 0 50 IGAA COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)CN(C)C1CCCCC1 15071494 QNOWXKDPWPNRDU-JOCHJYFZSA-N 430.593 3.065 0 50 IGAA CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)C1 221900381 JQXMNVGJFYUWNI-DOXZYTNZSA-N 439.503 3.092 0 50 IGAA CN(C)C(=O)CCC(=O)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 299755680 BNBFBHYCDLGNSJ-UHFFFAOYSA-N 433.556 3.248 0 50 IGAA NC(=O)Cc1ccc(CNC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 812482318 XMMJHKCQIRHXDQ-HHHXNRCGSA-N 443.547 3.260 0 50 IGAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297679 DXLZLDCPYLXFJM-VWLOTQADSA-N 428.540 3.428 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CC1=Cc3ccccc3OC1)C2 1857699563 TVJXHWLBJUHISR-JQYIIUTOSA-N 440.584 3.219 0 50 IGAA N=c1[nH]c2cc(C(=O)N3CCC[C@@H]3[C@H]3CCN(C(=O)CCCc4cccnc4)C3)ccc2o1 1875360324 FMYRFUVNFFMFQV-PZJWPPBQSA-N 447.539 3.111 0 50 IGAA O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NCC1[C@@H]2COC[C@@H]12 2325724243 HXTJXYGCHDWAQV-GJZGRUSLSA-N 435.343 3.314 0 50 IGAA C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC(C(N)=O)CC1 901312 LDWIUEYSNCAJTO-LBPRGKRZSA-N 438.475 3.367 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cc(C)cc(C)c1 1066366 LTEMSJPFYVHLDN-HXUWFJFHSA-N 446.569 3.111 0 50 IGAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1109238 CYJDFLBOFGKLOU-UHFFFAOYSA-N 444.553 3.438 0 50 IGAA O=C(c1cccc(N2CCOCC2)c1)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 11844413 ZJKXWWVFAQMISU-XMMPIXPASA-N 430.495 3.259 0 50 IGAA CC[C@@]1(C2CCN(C(=O)c3sccc3C)CC2)NC(=O)N(Cc2ccccn2)C1=O 11995575 MFSUNUGTQVNVMT-QFIPXVFZSA-N 426.542 3.205 0 50 IGAA CC[C@@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)Cc2cc(OC)ccc2O1 12182169 DPPZEJOJPGVENC-HSZRJFAPSA-N 437.584 3.449 0 50 IGAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12529170 BUFVJYDWJAAARO-UHFFFAOYSA-N 429.420 3.370 0 50 IGAA Cc1ccccc1-c1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 14990253 PBHAXCZVSVIQAW-JOCHJYFZSA-N 433.556 3.203 0 50 IGAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)no1 15074135 WMAZLRFRZDPEPG-NRFANRHFSA-N 439.443 3.023 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)CCOc2ccccc2)n1CCc1ccccc1 19798657 HTJRRWNZRFFJOX-UHFFFAOYSA-N 427.570 3.430 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1 23374997 RXEVPPXMXYWWJH-OAQYLSRUSA-N 425.577 3.432 0 50 IGAA O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(Br)c2c(c1)OCCO2 170604970 GWABLRLTEUKCOP-UHFFFAOYSA-N 433.302 3.434 0 50 IGAA COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 239164794 MXPJBCSKVPHJGA-YVZLVKDNSA-N 442.471 3.283 0 50 IGAA COc1ccc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1OCc1cccc(F)c1 1704354738 IWNWWAPQAYVLKR-BJKOFHAPSA-N 445.531 3.280 0 50 IGAA COc1ccc2c(CC(=O)N=[S@](C)(=O)C3CCN(c4cnccn4)CC3)coc2c1C 2332238861 OHPQIJLXDAJTFW-WJOKGBTCSA-N 442.541 3.376 0 50 IGAA CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)ccc1OCc1ccccc1 1126511 ANHRQSAFKZXEPY-PDGQHHTCSA-N 440.521 3.237 0 50 IGAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 2871135 ZAPRMRSCMSIHFZ-QGZVFWFLSA-N 431.558 3.174 0 50 IGAA O=C(CCC(=O)N1CCC2(CC[C@H](CNC(=O)c3ccccn3)O2)CC1)c1ccccc1 11872835 FXURXYPQRCCDLQ-HXUWFJFHSA-N 435.524 3.015 0 50 IGAA COc1cccc(CN2C[C@@H](C(=O)NCC3(c4ccccc4)CCOCC3)CCC2=O)c1 12708041 UJAGMCWKFGXTNQ-NRFANRHFSA-N 436.552 3.298 0 50 IGAA CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21 13366199 KCLNUWOIPKUVNV-YTTGMZPUSA-N 448.500 3.492 0 50 IGAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN([C@@H](C)CCn3cccn3)CC2)C1=O 14539978 YQNMZXLTACZJIE-NRFANRHFSA-N 437.588 3.412 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@@H]3CCc4ccccc4C3)CC2)C1=O 14540261 BSWDSKTWHRJECL-XMMPIXPASA-N 447.579 3.489 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](C)N3CCCCC3=O)c2)cc1F 170607776 CIBCVYVMHZMUCD-INIZCTEOSA-N 447.532 3.066 0 50 IGAA CO[C@H]1C[C@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)N(C(=O)OC(C)(C)C)C1 170611197 ZHNWAIMHUDIITK-ZWKOTPCHSA-N 440.500 3.297 0 50 IGAA CCC(=O)N1CCc2cc(C(=O)NC[C@@H](c3cccs3)N3CCO[C@@H](C)C3)ccc21 229853139 KWDBWEPBSAIOJV-JXFKEZNVSA-N 427.570 3.239 0 50 IGAA O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 247351706 WDPLPWSAORFTKT-VQTJNVASSA-N 441.615 3.091 0 50 IGAA Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)n1 252480716 CDZCVMSMKICPMQ-RPBOFIJWSA-N 430.552 3.274 0 50 IGAA Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C 253418073 WTJPDAHXGPIMSK-KXBFYZLASA-N 448.543 3.104 0 50 IGAA Cc1ccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c(C)c1 263617301 NCCDLBNHYXFSRP-QFIPXVFZSA-N 435.503 3.268 0 50 IGAA Cc1cc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)nc2nc(O)nc(O)c12 468650258 XXSSKWNFBFQVTC-UHFFFAOYSA-N 440.463 3.072 0 50 IGAA CC(C)Cn1c([C@H](C)NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886025640 PBIQZMUCBWTHNI-HNAYVOBHSA-N 433.512 3.010 0 50 IGAA Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CC[C@H](c4nccc(O)n4)CC3)C2)c1 1456939002 SXOKCABUFOSHJQ-ZJOUEHCJSA-N 436.556 3.494 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)CC[C@H]2CCCCO2)CC1)c1ccc2ncsc2c1 2332239097 WQEDUBBEPHNTTD-ZQHDKMAOSA-N 449.598 3.486 0 50 IGAA Cc1ccc(S(=O)(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 638916 WOIYGAHMWFXFHQ-UHFFFAOYSA-N 444.578 3.260 0 50 IGAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 792469 XNGQQLNVMQAFSK-UHFFFAOYSA-N 428.341 3.106 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(C(F)(F)F)n(C)n1)CC[C@@H](C)C3 2779093 FORIIFBMTQOTCQ-MRVPVSSYSA-N 425.436 3.027 0 50 IGAA O=S1(=O)C=C[C@@H](N(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)C1 9634241 VQNVKSGFLMGJRJ-OAHLLOKOSA-N 446.319 3.094 0 50 IGAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCN(c2ccccc2)CC1 11783104 ZMXBCWVDXYCNRS-UHFFFAOYSA-N 448.523 3.142 0 50 IGAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CC(C(C)C)=NO1 11844255 WZOAJJMQJRZVJP-HSZRJFAPSA-N 431.577 3.183 0 50 IGAA O=C(NCCCc1ccccc1)[C@H]1CC12CCN(C(=O)[C@H]1COc3ccccc3O1)CC2 12098265 PACFRPREXDGSCM-NFBKMPQASA-N 434.536 3.204 0 50 IGAA Cc1occc1C(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12191820 NNVAHFFAXHXSID-UHFFFAOYSA-N 433.936 3.216 0 50 IGAA CC(C)C1=NO[C@H](C(=O)N2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)C1 12434980 IPADAGNHYOTHTJ-QHCPKHFHSA-N 440.588 3.155 0 50 IGAA CCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc2c1CCN(C(=O)OCC)C2 16675977 VAPTUFFEIVZFPK-UHFFFAOYSA-N 445.541 3.168 0 50 IGAA O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccccc1Cl 40391520 YURGXUIPFRWKMS-UHFFFAOYSA-N 434.818 3.283 0 50 IGAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 61721564 BRCFUMOORWWPRK-UHFFFAOYSA-N 436.943 3.345 0 50 IGAA Cc1cccc(Cl)c1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169752368 PANIHVLAHVAZIB-UHFFFAOYSA-N 440.862 3.395 0 50 IGAA CC(C)(C)OC(=O)NC1CCN(CCCC(=O)N2CC[C@H](Nc3ccccc3)C2)CC1 170595795 YQHLLWFXHQLQPF-NRFANRHFSA-N 430.593 3.469 0 50 IGAA COC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)c1c(C)cccc1C 170598313 APJQWPCRPKGDRA-QGZVFWFLSA-N 442.331 3.267 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 229901941 ATPCUYQGOXKMIT-VXCZRNDOSA-N 442.302 3.425 0 50 IGAA CCOc1ccccc1CN1CCc2c(C(=O)NCCC(C)C)c(OC)cc(=O)n2CC1 299761035 QIJYEEXPYPCRTP-UHFFFAOYSA-N 441.572 3.090 0 50 IGAA O=S(=O)(NCC1CC1)c1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nc1 301697974 CAVHTFVROKZFST-MRXNPFEDSA-N 432.615 3.489 0 50 IGAA O=C1C[C@@H](c2ccc(Br)cc2F)c2c(O)nc(N3CCSCC3)nc2N1 828323363 NVMHWPOIGUMAID-NSHDSACASA-N 439.310 3.111 0 50 IGAA CS(=O)(=O)c1ccc(C=C(C(=O)NC2CCCCC2)C(=O)NC2CCCCC2)cc1 918155903 YXYYWKGDQQWSPU-UHFFFAOYSA-N 432.586 3.371 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCSc2ccccc2)C1 1857686856 FRIYJPUZJWFZPI-ZFGGDYGUSA-N 431.646 3.108 0 50 IGAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCC(Cc2ccc(O)nc2)CC1 1857739940 AGBPLCHEJBTNPB-KRWDZBQOSA-N 436.537 3.231 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 631548 ZRNBMWLDVDVVBG-GANRHZMWSA-N 444.965 3.432 0 50 IGAA COc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(OC)c(OC)c3)C[C@H]2C)cc1OC 656011 LFTQADBBWFWJDL-HZPDHXFCSA-N 442.512 3.096 0 50 IGAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ncn(Cc2cccc(F)c2)n1 2809402 ONYGIDNMSDTOIK-UHFFFAOYSA-N 438.484 3.421 0 50 IGAA O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2)CC1 3360762 VFJHZUSKFOGZEC-UHFFFAOYSA-N 433.961 3.087 0 50 IGAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2cc(C)nn2C)O3)n1 12184274 QSZSDEXHTZDLLJ-CQSZACIVSA-N 429.933 3.294 0 50 IGAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)c1=O 12242701 AGJAXJCRSRGUQS-QHCPKHFHSA-N 446.551 3.477 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccccc2C(=O)OC)C1 12385693 WEABMTINKKDJEB-HSZRJFAPSA-N 445.537 3.050 0 50 IGAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2cnc3ncnn3c2)cc1 12476254 DUAKNATYJJPISD-FQEVSTJZSA-N 429.528 3.344 0 50 IGAA CCOC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 12596289 YSFOKUFZHKFDQY-KRWDZBQOSA-N 440.462 3.246 0 50 IGAA O=C(NC1CC1)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc(O)cc2)C1 14744746 DLGRTFMXKNTXKB-LEWJYISDSA-N 433.552 3.236 0 50 IGAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCCC1)C2 14751469 XHCZSESUUWJIMF-OAQYLSRUSA-N 436.600 3.334 0 50 IGAA Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)cc1Br 239009561 AVGNUYYJZQRWSZ-IOKXVFATSA-N 443.341 3.448 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccs1 239173993 PBQPCELQWIIZJM-OFDSONOTSA-N 433.485 3.345 0 50 IGAA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(CCO)C(=O)[C@@H]13 252265751 OIKFDHXDOGJMOI-IGAQGDRZSA-N 443.584 3.490 0 50 IGAA COc1ccc(C2(C(=O)N[C@H](CCSC)c3nnc4ccccn34)CCOCC2)cc1 252550142 SAMHGTFKYAJDOT-LJQANCHMSA-N 440.569 3.397 0 50 IGAA CC(C)COC1CCN(S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 253419055 HRESAJFDGPPYJN-HXUWFJFHSA-N 438.590 3.112 0 50 IGAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@@H]4[C@H](O)C[C@@]32CO)OCCO6)OCCO1 253499975 SPRGBCQVWWNTQI-SXOSBDGYSA-N 436.589 3.095 0 50 IGAA biogenic CC(=O)O[C@@H]1CC[C@]2(C(=O)O)[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@@H]3CC[C@]2(O)C1 257350224 VRNKAZNHDYUPQK-AAIKJFCLSA-N 444.524 3.160 0 50 IGAA COc1ccc(-c2csc(NC(=O)COC(=O)c3nnc(O)c4ccccc34)n2)cc1 745883387 AYACLTQSLITSCY-UHFFFAOYSA-N 436.449 3.263 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)Cc2noc(CC(C)C)n2)ccc1F 1704310538 ZWOXOFIMELIQHN-UHFFFAOYSA-N 431.468 3.409 0 50 IGAA O=C(CCn1cccn1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857699792 YNNUMKMOJLDMFM-JOCHJYFZSA-N 438.572 3.288 0 50 IGAA COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1I 1063292 DYAHOSLXSZEFOY-UHFFFAOYSA-N 437.686 3.432 0 50 IGAA O=c1nc2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2nc1-c1ccccc1 1827726 QNHORXBHSDFEEB-RCCKNPSSSA-N 439.496 3.305 0 50 IGAA COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1Br 2842046 RJSBZICEJPRFPX-UHFFFAOYSA-N 442.360 3.362 0 50 IGAA Cc1ccc2nc(CNC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)[nH]c2c1 465180451 AORCHKFDKZWILL-IAGOWNOFSA-N 440.569 3.468 0 50 IGAA CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(C)c2OC)C[C@@H]1CCO 22852388 TTWOXGZFQFUKCB-QFIPXVFZSA-N 428.573 3.480 0 50 IGAA COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)c1 239305869 GCTTWYAGMHOUCP-NJDAHSKKSA-N 439.487 3.115 0 50 IGAA COc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 248227222 JSAWTAQKLBAXEH-TZIWHRDSSA-N 449.511 3.290 0 50 IGAA COc1ccc([C@H](CC(=O)NCc2ccco2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263585457 IXCCWXSHVHVRPO-INIZCTEOSA-N 443.452 3.111 0 50 IGAA biogenic NC(=O)[C@@H](CNC(=O)Nc1ccnn1Cc1ccc(Cl)s1)Cc1ccc(F)cc1 1467404879 BLQOZLNYKNZTCE-CYBMUJFWSA-N 435.912 3.251 0 50 IGAA CCN1CCN(C2CCN(C(=O)C3(Nc4ccc(OC)cc4)CCCCC3)CC2)CC1 952988275 MXYQPTAFAHIKKF-UHFFFAOYSA-N 428.621 3.439 0 50 IGAA Cc1noc2nc(C(C)C)cc(-c3nc(C[C@@](O)(c4nccn4C)C(F)(F)F)no3)c12 761438474 QVSWEWXINKULHL-GOSISDBHSA-N 436.394 3.431 0 50 IGAA O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC[C@]2(CCCc3ccccc32)C1 753321571 QYCRLCROOCDDPS-SXOMAYOGSA-N 443.547 3.277 0 50 IGAA COc1nc2ccccc2nc1CCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529118486 LGUWMBLTTICXBE-KOSHJBKYSA-N 442.519 3.493 0 50 IGAA CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C1 11881458 OJJRNBYTBUERCA-PXDATVDWSA-N 426.557 3.291 0 50 IGAA CCCCc1nnc(NC(=O)[C@@H](C)Sc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)s1 13544922 BVUZRKPPTVHJAW-GFCCVEGCSA-N 445.570 3.380 0 50 IGAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)C4=NN(C)C(=O)CC4)C3)c2)c1 15062607 IHICMOSTPDVYBN-HXUWFJFHSA-N 432.524 3.447 0 50 IGAA CCC[C@@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 15068965 MFMJSAISMJCGFH-RDPSFJRHSA-N 430.593 3.375 0 50 IGAA CCOc1ccc(C2C(C(=O)OC)=CN(C[C@@H]3CCCO3)C=C2C(=O)OC)cc1OCC 16392953 LIRRPSIJDLOQCB-KRWDZBQOSA-N 445.512 3.176 0 50 IGAA Cc1cc(=O)[nH]c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 18244251 NWFVOGCFAPVDLO-UHFFFAOYSA-N 434.565 3.104 0 50 IGAA CCN(C(=O)CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)c1ccccc1 169757831 WACKUSFZHJPPPB-HXUWFJFHSA-N 425.872 3.270 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1875370871 GUNRDVOEXMGYHR-DEOSSOPVSA-N 427.545 3.495 0 50 IGAA CCc1c(-c2ccccc2)n(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 719711 FPUVCEAEEKOKAH-UHFFFAOYSA-N 427.508 3.159 0 50 IGAA CO[C@H](CC(C)C)C(=O)N1CCC([S@@](C)(=O)=NC(=O)[C@@H]2CCc3ccccc3C2)CC1 2332238688 HUNNLLXAZRJFMQ-LGRYOIANSA-N 448.629 3.468 0 50 IGAA COc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1 1114998 VRPRBSLSQIQDQB-HNNXBMFYSA-N 439.541 3.354 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccccc1Cl 2289415 FLESVFYJVDIDQD-MTGKDYNDSA-N 438.936 3.452 0 50 IGAA O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 2778102 IGKMBQXHNGXJPK-OAHLLOKOSA-N 433.409 3.474 0 50 IGAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccccc2OC(F)(F)F)c1=O 11815346 RNCVGZVSWBOOQW-ZDUSSCGKSA-N 439.434 3.398 0 50 IGAA COC(=O)c1cc(CNC(=O)c2cn3ccccc3n2)cc(NC(=O)Cc2ccsc2)c1 11912106 XABJDPIOWQZGOV-UHFFFAOYSA-N 448.504 3.294 0 50 IGAA C[C@H](O)c1ccc2c(c1)OCCOCCOc1cc([C@@H](C)O)ccc1OCCOCCO2 12401885 ISLLPVQOHVRQEY-HDICACEKSA-N 448.512 3.055 0 50 IGAA O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CCC2(C=Cc3ccccc32)CC1 12713948 BAVMWFAWQRLCEX-LJQANCHMSA-N 428.492 3.319 0 50 IGAA CO[C@H]1CCCN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)C1 14969470 YSCRNEIXIRBGOJ-VWLOTQADSA-N 427.633 3.433 0 50 IGAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)c1 19838675 ZXCKCBFDPRKOFU-HNNXBMFYSA-N 441.482 3.114 0 50 IGAA O[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1N1CCN(c2ccccn2)CC1 23358903 JNLFPQAINAKSGP-UIOOFZCWSA-N 444.579 3.028 0 50 IGAA CCN(Cc1ccccc1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1)C(C)=O 328596577 DIYLSJCTGMFWST-UHFFFAOYSA-N 445.932 3.737 0 50 IGAA NC(=O)c1cc2c(nc1O)CCC[C@H]2NC(=O)c1cc(-c2ccccn2)nc2ccccc12 825358518 AZXBTWNBZLRUMX-LJQANCHMSA-N 439.475 3.304 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(Cc3ccccc3C)CC2)C1 1857703178 MFDJLNCARGMGMD-ONBPZOJHSA-N 439.644 3.399 0 50 IGAA O=C([C@H]1CCn2nccc2C1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857718004 KBLLFDBTXVHMRK-SFHVURJKSA-N 429.524 3.115 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(C(N)=O)nc2)cc1 1875262458 KLJBDDQLYYMKCN-HSZRJFAPSA-N 432.524 3.188 0 50 IGAA CCOC(=O)c1noc(-c2cccc(CN[C@H](C(=O)NC3CC3)c3ccc(F)cc3)c2)n1 1875262993 FUIJUWPNFQDUCR-IBGZPJMESA-N 438.459 3.162 0 50 IGAA N=c1[nH]n(C(=O)[C@H]2CCC[C@@H](C(=O)n3[nH]c(=N)c4cc(F)ccc43)C2)c2ccc(F)cc12 1875350374 KDHAZWZDBMHUQN-TXEJJXNPSA-N 438.438 3.276 0 50 IGAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(CC(C)C)nn2CC(C)(C)C)cc1OC 2100483287 JSIATIWWAMEDAW-RTWAWAEBSA-N 430.549 3.469 0 50 IGAA Cn1nccc1[C@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C(=O)O 2325876583 ZWCKOSXAMQHUPJ-AWEZNQCLSA-N 434.212 3.076 0 50 IGAA CCc1c(OC)cc(C(=O)Nc2ccc3nc(CN4CCN(C)CC4)[nH]c3c2)cc1OC 2325879716 DZLWMHPIYZKOKX-UHFFFAOYSA-N 437.544 3.142 0 50 IGAA Cc1nc(C)c(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)c(O)n1 2356153004 MLTSROOYQZJKHE-KJBBBAAKSA-N 434.584 3.286 0 50 IGAA O=C(O)c1cccc(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1 836658 NXXVMIZHTPAUIK-ZDUSSCGKSA-N 436.704 3.391 0 50 IGAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cc(F)c(F)c(F)c1)C3 11788126 LYNLJFZBKFMTTI-CYBMUJFWSA-N 436.503 3.084 0 50 IGAA CO[C@@H](C(=O)N1CCN(c2cccc3c2C(=O)N(C2CCCC2)C3=O)CC1)c1ccccc1 11880745 XCQBCZSECCXHQM-HSZRJFAPSA-N 447.535 3.262 0 50 IGAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC[C@H](CO)C1 12576955 MFXJMOOGECMHCT-QHCPKHFHSA-N 427.633 3.027 0 50 IGAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)[C@@H](C)c1ccccc1)CC2 14531648 AJEPPGJBYQALEM-SFHVURJKSA-N 446.551 3.378 0 50 IGAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cc(F)ccc2C)c1=O 14965700 ATGCIMROZFSLAH-UHFFFAOYSA-N 435.499 3.218 0 50 IGAA Cc1c(Br)ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 239231236 VENFRQYFYMXZHF-RHWCJKNGSA-N 443.341 3.448 0 50 IGAA CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1)c1c(C)nn(Cc2ccccc2)c1C 253421726 KXZONGYZWAQQCR-NRFANRHFSA-N 427.526 3.131 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 409414820 OYAHLUCCWAKOQL-XJTUCQONSA-N 441.616 3.336 0 50 IGAA biogenic C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1nnnn1-c1ccccc1 777231374 JHMDDHCIKANFNS-KSFYIVLOSA-N 439.447 3.017 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2csc(C(C)C)n2)C1 1857687763 DAUZDLSMXVQDHK-QMHWCDLVSA-N 434.650 3.096 0 50 IGAA Cc1c(NC(=O)N[C@H](C)c2ncc(Br)cn2)nnn1Cc1ccccc1F 1875337402 YWZHMESTUQHVSI-SNVBAGLBSA-N 434.273 3.209 0 50 IGAA O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 980342 ZWCFRRYAHXIEKL-UHFFFAOYSA-N 436.917 3.151 0 50 IGAA COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 1078720 XTSUIHVVWYHPPZ-UHFFFAOYSA-N 440.521 3.500 0 50 IGAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 1155199 JWEONKCMJOWYBT-UHFFFAOYSA-N 447.919 3.381 0 50 IGAA COc1ccc(CC(=O)NCc2cccc(CNC(=O)Cc3ccc(OC)cc3)c2)cc1 1230003 YHWQIOMJLFJVGO-UHFFFAOYSA-N 432.520 3.422 0 50 IGAA COc1cc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc(OC)c1 2761313 VHDHMVRDLVFAPG-UHFFFAOYSA-N 436.228 3.306 0 50 IGAA Cc1c(C(=O)N2CCNC(=O)C2)sc2ncnc(NCc3cc4ccccc4s3)c12 12035430 LHPKROKZCMZRDG-UHFFFAOYSA-N 437.550 3.399 0 50 IGAA COc1ccc(CN2C[C@@H](CN3CCCC3)C[C@@H](C(=O)N3CCCCC3)C2)cc1OC 14742957 ISIGGXCMFVGVKQ-FGZHOGPDSA-N 429.605 3.250 0 50 IGAA CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cn1 17440367 WUGRHYKVZYJFDH-INIZCTEOSA-N 448.317 3.171 0 50 IGAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)C1(N2CCOCC2)CCCCC1 19224702 ARBGMGRSMXZTQE-OAQYLSRUSA-N 439.531 3.343 0 50 IGAA CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4cccs4)ccc3n2C)CC1 20725557 FXAJSHDXESCPDD-UHFFFAOYSA-N 427.530 3.161 0 50 IGAA COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1 223216901 HUUJGBNSTCVIMO-HSZRJFAPSA-N 431.496 3.309 0 50 IGAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 240465939 GBPLDBPHLYYSBS-IEZWGBDMSA-N 435.540 3.342 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)[C@@H](C)C2)c(C)c1 252508298 XJMFGTGZBRQZAJ-IBGZPJMESA-N 436.599 3.004 0 50 IGAA O=C(NC[C@@H](c1cccc(O)c1)N1CCCC1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1875260539 VRLZBIXIFFWFSY-ZCYQVOJMSA-N 441.547 3.305 0 50 IGAA C[C@H](NC(=O)[C@@H](O)Cc1c(F)cccc1Cl)[C@@H](O)c1ccc(Br)cc1 2325741333 UYDDGLHNQDISPC-PZDALLCQSA-N 430.701 3.383 0 50 IGAA COc1cc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc(OC)c1OC 643489 BAWMCMDWVWTQMQ-NRFANRHFSA-N 448.519 3.370 0 50 IGAA Cn1cc(/C=C2/N=C(SCC(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cn1 2785500 PEDSEOSJPFATBW-UDWIEESQSA-N 431.521 3.213 0 50 IGAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4611614 MNGJXXOGLLZAJR-YYWHXJBOSA-N 426.513 3.228 0 50 IGAA biogenic CN1C(=O)C[C@@](CC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)(c2ccccc2F)C1=O 12151319 JWOIGDYFGCTHKB-IVCQMTBJSA-N 448.498 3.125 0 50 IGAA CN(C)CCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc3ccccc3c2)C1 14742294 LYLMLIPBTBVXAW-ZEQKJWHPSA-N 436.644 3.442 0 50 IGAA COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@H]4CCCO4)c(C)o3)cc2)o1 14878817 WYZPKGSFPLSJET-LJQANCHMSA-N 439.468 3.437 0 50 IGAA COc1cc(C)nc(NC(=O)Nc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2C)n1 17179846 RRAZMHOPZZMNEG-UHFFFAOYSA-N 448.530 3.312 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(Cl)cc(OC)c3OC)C2)CC1 23360374 UWPBUODAZWTUDR-GOSISDBHSA-N 425.957 3.096 0 50 IGAA COCc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 40397847 YLEZGQXABPYHFG-UHFFFAOYSA-N 434.887 3.477 0 50 IGAA CCc1cccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758983 KYQPOQSAQSQBLM-HXUWFJFHSA-N 425.872 3.418 0 50 IGAA CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(OC(F)(F)F)c4)CC3)nn2)n1 169777465 OEJHFMZWYCVYHT-UHFFFAOYSA-N 436.394 3.266 0 50 IGAA CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1cncc(OCC(F)F)c1 170616603 AJRZQWGQOXUCAN-UHFFFAOYSA-N 449.454 3.068 0 50 IGAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 299766455 OHMOBEPXCSSYLD-XMMPIXPASA-N 426.536 3.448 0 50 IGAA O=C1N[C@H](CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)C(=O)Nc2ccccc21 409413162 AYYMTGAFTISLNA-HXUWFJFHSA-N 436.899 3.237 0 50 IGAA O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CC=C(c2cccc3ccccc23)CC1 446085383 YUZMFLBLEVMVDB-NVXDSCFRSA-N 441.531 3.446 0 50 IGAA COc1ccc(-c2cc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)ncn2)cc1 1875356123 GJOOSKXGIPHXIK-UHFFFAOYSA-N 440.525 3.272 0 50 IGAA O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@H]1CCCc2ccccc21 2325826281 WJZSKWKAYPAIEU-OMQIJLIKSA-N 437.584 3.019 0 50 IGAA Cc1c(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c(=O)n(-c2ccccc2)n1C 1126205 NYBYQTBEWOAVIC-KRWDZBQOSA-N 428.851 3.409 0 50 IGAA Cc1sc(NC(=O)[C@H](C)Oc2ccc(I)cc2)c(C(N)=O)c1C 2745446 PAQDCNQPLBAGDV-VIFPVBQESA-N 444.294 3.474 0 50 IGAA CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccccc1 9410918 VQJKSHNLGWYYAF-FQEVSTJZSA-N 435.571 3.339 0 50 IGAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2COc4ccccc4O2)C3)n1 11977425 YKWCDPDUKISWGB-UWJYYQICSA-N 435.455 3.159 0 50 IGAA COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)c3cn4ccccc4n3)C2)cc1 12246093 QAQBNYJPYXKJRR-KNQAVFIVSA-N 432.524 3.039 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1I 12380258 DTTHYRQFFWFAOP-UHFFFAOYSA-N 431.251 3.303 0 50 IGAA CCCc1c(C(=O)NC[C@H]2CCCN2CC)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 20272485 GPWSONQASXZHAE-LJQANCHMSA-N 439.556 3.100 0 50 IGAA COc1cc(Cl)ccc1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169776918 YVHYQGFEFONJHS-UHFFFAOYSA-N 444.894 3.441 0 50 IGAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@@]34C(=O)O)[C@]1(Cl)CC[C@H]2C1=CC(=O)OC1 257348122 BNZWEZZSPRSQEB-JDIHSLBTSA-N 438.948 3.030 0 50 IGAA Cc1ccc(-c2noc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)n2)cc1 263619327 YDZLDJVCEMIGOJ-UHFFFAOYSA-N 431.427 3.201 0 50 IGAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N1CCC[C@H](C(=O)Cc3ccccc3)C1)C2 299786226 WISGZXJLNVARAD-CTNGQTDRSA-N 436.552 3.329 0 50 IGAA O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)COc1ccc(Cl)cc1)CC2 299802834 WZGLTCMJIHIJOC-FQEVSTJZSA-N 427.932 3.101 0 50 IGAA Cc1nc2c(n1[C@@H]1CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)C1)CCCC2 468442195 JMGJFYBEWNSDPR-QGZVFWFLSA-N 434.462 3.293 0 50 IGAA C[C@@H](NC(=O)[C@@H]1Cc2ccccc2N(C)C1=O)c1cn(-c2ccc(Cl)cc2F)nn1 1875340553 IBCBUGFPGFQKGH-DOMZBBRYSA-N 427.867 3.072 0 50 IGAA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc2c(cc1Br)OCO2 816024 JCYOZAHFBKBZRS-UHFFFAOYSA-N 438.274 3.101 0 50 IGAA O=C(NCc1cccnc1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 862906 HBOHPPHCHGLCCL-UHFFFAOYSA-N 441.369 3.469 0 50 IGAA COC(=O)[C@H]1CC(=O)N(Cc2cccc(OC)c2)C12CCN(C[C@@H]1CC=CCC1)CC2 12040504 DVRQRFXUOZKDSQ-DENIHFKCSA-N 426.557 3.408 0 50 IGAA COc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 12382142 LLLNAUMSORGACA-ACSPXDACSA-N 428.460 3.221 0 50 IGAA Cc1ccc(F)cc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14543454 RGQVSISNVHWFJX-FQEVSTJZSA-N 428.552 3.106 0 50 IGAA CCOc1cc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)ccc1OC 14986730 BOWXDIJJWYQIHC-IBGZPJMESA-N 427.549 3.195 0 50 IGAA CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3cccc(OC)c3)C2=O)cc1 16447754 FEKFNCJJQKXFQS-LJQANCHMSA-N 428.510 3.488 0 50 IGAA COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18246577 QYWBKOWNJPKBRR-ZLNRFVROSA-N 430.460 3.448 0 50 IGAA Cc1nonc1[C@H]1CCCN1Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F 19225538 YTIYDUHYTSXHMF-LJQANCHMSA-N 447.536 3.281 0 50 IGAA Cc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(N2CCOCC2)n1 64799883 YEGLHMBCWYWCON-UHFFFAOYSA-N 443.551 3.251 0 50 IGAA COCc1ccc(C(=O)NC2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 253429589 TYZBXVKBXMJTDN-UHFFFAOYSA-N 431.577 3.427 0 50 IGAA CC[C@H](C)CC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2OC)CC1 299770208 NVNWLGQVLLUTEO-UNMCSNQZSA-N 441.616 3.404 0 50 IGAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1 1506396713 FUUPSNAOTMPXGO-HNNXBMFYSA-N 433.559 3.005 0 50 IGAA CC(C)(C)c1cc(CNC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)on1 1875301886 UYNHGUPXZFOTRU-OAHLLOKOSA-N 440.422 3.475 0 50 IGAA COC(=O)c1cc(Cl)c(OC)cc1NC(=O)c1nn(-c2ccccc2F)ccc1=O 1875344910 OQLGNJPXTIXPOY-UHFFFAOYSA-N 431.807 3.073 0 50 IGAA Cc1cc(F)ccc1C[C@@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(=O)O 2325850673 FGRPPECGDCRIMJ-KRWDZBQOSA-N 425.460 3.329 0 50 IGAA CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCCOC)C3=O)C1 12149161 CHFYYIZSCJPHSM-RTBURBONSA-N 441.572 3.327 0 50 IGAA Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ncccn3)CC2)cc1 15017764 XHSKEEXDYFHEEU-UKILVPOCSA-N 441.535 3.373 0 50 IGAA CC(C)N(C)C(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 15068172 QCMINPVOOLAJRP-IBGZPJMESA-N 431.577 3.350 0 50 IGAA COCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 20271624 JDTCTEMZUJFQTF-UHFFFAOYSA-N 433.512 3.032 0 50 IGAA O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)F)c(Cl)c1 20607338 WMNHGSXYUIQGPR-UHFFFAOYSA-N 445.813 3.476 0 50 IGAA COc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(C)=O)CCC4)CC2=O)c(OC)c1 170610477 RMSOTFVRCRFRSL-ZDUSSCGKSA-N 428.510 3.448 0 50 IGAA O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 218268889 ZCBKEFBODFYZIP-CYBMUJFWSA-N 431.374 3.362 0 50 IGAA Cn1cc(C(=O)NC[C@H](O)c2ccccc2F)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 253392962 KRABVNSIYPMNNW-KXBFYZLASA-N 446.523 3.137 0 50 IGAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)c2c1 804555029 FFZIZDHPTYHUOF-GKVSMKOHSA-N 443.507 3.198 0 50 IGAA C[C@H](Oc1ccc(CN2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cc1)C(=O)O 1857696144 OXBMFQSFFHLVIS-AWEZNQCLSA-N 431.510 3.362 0 50 IGAA CCOc1cc(N2CCC([S@](C)(=O)=NC(=O)CCc3ccccc3F)CC2)ncn1 2332238481 AROWBEUIDLHVIW-PMERELPUSA-N 434.537 3.240 0 50 IGAA COC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 2191919 MFUIUEQCPGQJSV-AWEZNQCLSA-N 426.269 3.452 0 50 IGAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccc2F)CC1 4030185 AIZVSGOPNHCKJY-UHFFFAOYSA-N 431.467 3.314 0 50 IGAA CCc1ccc(C2=NN(CCC(=O)NCCc3ccc(OC)c(OC)c3)C(=O)CC2)cc1 8583459 QJTQTXPLKHEZIL-UHFFFAOYSA-N 437.540 3.342 0 50 IGAA biogenic COc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1OC[C@H](O)CN(C)C(C)C 11664075 CKPWDDICKSOOFF-JOCHJYFZSA-N 438.572 3.455 0 50 IGAA COc1ccc(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)c2ccccc12 11976495 XSGCGGHPKZIAKM-UGKGYDQZSA-N 434.544 3.053 0 50 IGAA COCc1c(C(=O)NCCc2ccccn2)cnn1-c1ncc(C)c(-c2cccs2)n1 12219032 YQHVFWKTMMMNFY-UHFFFAOYSA-N 434.525 3.213 0 50 IGAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CCn3ccnc3C)C2)cc(OC)c1 12306443 VBAJKHSDOBMPRF-SFHVURJKSA-N 428.533 3.256 0 50 IGAA O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1ccc3c(c1)CCO3)CC2 14744372 ZHKJUDXPQSEZSW-UHFFFAOYSA-N 449.580 3.173 0 50 IGAA O=C(c1ccccc1F)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 15066866 FXFJSAMKCDBVLG-QFIPXVFZSA-N 442.531 3.358 0 50 IGAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN(C)Cc1ccncc1 15067224 KWCFBJACHCJNDP-XMMPIXPASA-N 438.616 3.325 0 50 IGAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(Cl)cc1 19639553 IZTFXSNUWXOPLQ-UHFFFAOYSA-N 443.960 3.484 0 50 IGAA Cc1nc2ccc(C(=O)N3CCOc4ccc(CN5CCOCC5)cc4C3)cc2nc1C 20209327 VVQNVRZIPVHNES-UHFFFAOYSA-N 432.524 3.114 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4Cl)ccn3n2)c1 169781157 IDVRVXZASWMYQL-UHFFFAOYSA-N 436.899 3.184 0 50 IGAA COC(=O)C[C@@H](c1ccc(F)cc1Cl)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089434 CFMUBVJNBXHPOO-INIZCTEOSA-N 433.867 3.316 0 50 IGAA Cc1noc(-c2ccc(S(=O)(=O)NC3CCN(C4CCSCC4)CC3)o2)c1C 1506418194 VLWFDJKWNJVOLZ-UHFFFAOYSA-N 425.576 3.190 0 50 IGAA N=S1(=O)CCC2(CC1)CN(C(=O)NC1CCC(Oc3ccc(F)cc3)CC1)CCO2 2325827866 SFAXDLHTZXNJPP-UHFFFAOYSA-N 439.553 3.137 0 50 IGAA CC[C@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCCC3)c2C(=O)OC)C1 12190842 UCSWEDVOGAXKDX-AWEZNQCLSA-N 442.603 3.030 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCc2cnn(C)c2C)c1 12466154 ACLDCTSBMQEAMF-UHFFFAOYSA-N 426.561 3.453 0 50 IGAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)CCC3CCCCC3)CC2)CC1 12577467 SHFQBNRGBOMNCI-QHCPKHFHSA-N 433.637 3.345 0 50 IGAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(Cl)c4)n3)CC2)c1 17248585 MLLJHBXGHWWNFS-UHFFFAOYSA-N 439.951 3.490 0 50 IGAA Cc1ccn2c(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc5C4)c3)nnc2c1 446643676 HZFVGRDXPRDRQV-UHFFFAOYSA-N 447.520 3.037 0 50 IGAA C[C@@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccc2c(c1)CC(=O)N2 475228571 DDKJQIYNPUUPQN-CYBMUJFWSA-N 427.464 3.327 0 50 IGAA CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 747147408 ZZUIIYKEBMRCKQ-MSNJVRRCSA-N 434.536 3.465 0 50 IGAA O=S(=O)(CCCF)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952892439 HFWCQNZRZLSNLV-OAHLLOKOSA-N 425.379 3.071 0 50 IGAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCC[C@@H](OC(F)F)C1 1875258461 KVGVYWBJSZSJDV-KGLIPLIRSA-N 437.365 3.104 0 50 IGAA CN(Cc1ccccc1)S(=O)(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356168059 NPIRNJNWONECNQ-UHFFFAOYSA-N 425.554 3.409 0 50 IGAA CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1OC 715111 AVEHUTJBJBJPJY-OAQYLSRUSA-N 440.452 3.194 0 50 IGAA Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 1058192 LYYXQQUFDZPJIT-UHFFFAOYSA-N 445.560 3.271 0 50 IGAA O=C(CSc1nnnn1-c1cccc(C(=O)O)c1)NC(c1ccccc1)c1ccccc1 1060843 FVZYQZTVWVWUAB-UHFFFAOYSA-N 445.504 3.358 0 50 IGAA COc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc(Cl)c3)CC2)n1 9011998 YIZPJNDTVWMFBQ-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)CCc3cnccn3)c2)s1 11698489 GBCYHIDWRBLOBY-LJQANCHMSA-N 436.541 3.256 0 50 IGAA Cn1cc(CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)c(-c2ccc3c(c2)OCCO3)n1 12204362 CXZDKLRNBVGAKQ-DEOSSOPVSA-N 428.496 3.124 0 50 IGAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cc1 12434997 IYICLTKBVTZOOL-QGZVFWFLSA-N 439.537 3.074 0 50 IGAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)CCc4cnccn4)CC3)cc2)n1 14959414 ZKOILOJZZNLLSS-UHFFFAOYSA-N 432.528 3.089 0 50 IGAA O=C(c1ccc(=O)[nH]c1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 14978355 CVMDUKXSRCAUHZ-OAQYLSRUSA-N 427.520 3.047 0 50 IGAA O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)C[C@@H](NCCCn1ccnc1)CC3 15068913 JFBPXXBCWPESAD-SFHVURJKSA-N 437.544 3.379 0 50 IGAA CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCC(C)(C)CN(C)C)C3 19853384 UXVFOLLGDYYFFD-QGZVFWFLSA-N 434.650 3.308 0 50 IGAA O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)N1CCN(c2ccccc2)CC1 169776624 LONBBZPZFITUEE-UHFFFAOYSA-N 430.552 3.327 0 50 IGAA CC(C)c1noc(CCCNC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)n1 170594255 IDCHJDIXCNOREQ-KRWDZBQOSA-N 446.552 3.324 0 50 IGAA CC[C@H]1CN(CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)Cc2cc(OC)ccc2O1 299794643 LUXMSPOZDHAPGN-XUZZJYLKSA-N 438.572 3.017 0 50 IGAA CCO[C@@H](C(=O)N(C)CC1(NC(=O)c2sc(-c3ncc[nH]3)nc2C)CC1)C1CCCC1 2325829151 ALCFTHSUJARJRB-MRXNPFEDSA-N 445.589 3.158 0 50 IGAA CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc23)ccc1C 884795 YVNHTEZHWVTEOQ-UHFFFAOYSA-N 447.520 3.356 0 50 IGAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 1114559 ABROUZSFCHZWIT-GOSISDBHSA-N 447.988 3.090 0 50 IGAA CCOC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 1123743 GJGCADOOMXERAZ-HXUWFJFHSA-N 427.432 3.034 0 50 IGAA CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1579838 OFRAUBNHWUYJIM-SFTDATJTSA-N 437.496 3.231 0 50 IGAA in-vitro CCCN(CCC)CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1 3670354 JUMQWHRXNZCDBW-DEOSSOPVSA-N 440.544 3.131 0 50 IGAA O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NC1CCCC1 4601837 NJBGSFCUBZKYJJ-UHFFFAOYSA-N 428.602 3.423 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2ccccc2)sc2c1CCN(C(=O)CC(C)C)C2 12150067 UZTRXEDVUQBKHX-UHFFFAOYSA-N 436.555 3.266 0 50 IGAA COc1ccc(C2(C(=O)NCCc3nnc(SC[C@H]4CCCO4)n3C)CCCC2)cc1 12245711 UNBNLPHXYATNCC-LJQANCHMSA-N 444.601 3.266 0 50 IGAA COc1ccc(CNCCCc2scnc2C)cc1OC[C@H](O)CN1CCCCC1 12385854 YPSRHHUIWPSSOB-HXUWFJFHSA-N 433.618 3.408 0 50 IGAA COC(=O)c1c(OCc2ccsc2)cc(=O)n2c1CCN(Cc1ccccc1F)CC2 14879982 LJGMQISAINZWEW-UHFFFAOYSA-N 442.512 3.473 0 50 IGAA CC(=O)c1ccc(OCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 15071570 IDGNEPYWAHGLGG-HSZRJFAPSA-N 435.568 3.390 0 50 IGAA O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 20450611 YPVZTSXLXINHNA-NRFANRHFSA-N 437.406 3.438 0 50 IGAA COc1ccc(-c2cc(N3CCCN(C(=O)c4nn(C)c5ccccc45)CC3)[nH]n2)cc1 169753168 CAHJDDWWMCKDSR-UHFFFAOYSA-N 430.512 3.325 0 50 IGAA COc1ccc(-c2nc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)cs2)cc1 170591996 SVYPTPKGDFUHQM-UHFFFAOYSA-N 443.550 3.306 0 50 IGAA O=C(c1cn([C@H]2CC[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)nn1)N1CCCC1 247379065 IUEXQQCZWDCQJJ-QOTPVNDFSA-N 425.577 3.330 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 253387494 ZHFGCXNCOKZGMK-MLCQCVOFSA-N 430.504 3.181 0 50 IGAA Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 481550999 FPCQAXWKYYTQOJ-UHFFFAOYSA-N 444.495 3.297 0 50 IGAA O=C([C@@H]1C[C@@H]1c1cccs1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 1857798535 MCTVDBBTDBBIHI-FPMFFAJLSA-N 444.372 3.423 0 50 IGAA NC(=O)c1ccccc1SCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 1875257157 GQVVXJQELXZBQU-UHFFFAOYSA-N 426.538 3.277 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 655071 VPSSLICQVZBUHY-UHFFFAOYSA-N 428.510 3.417 0 50 IGAA COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 815790 RSJGFOMRYAGZRN-HNNXBMFYSA-N 425.403 3.397 0 50 IGAA O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 2881543 GPCXLSZTHURHCM-HNNXBMFYSA-N 443.352 3.484 0 50 IGAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1 11933217 AAUKXSUIYNQSMQ-UHFFFAOYSA-N 425.514 3.225 0 50 IGAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)C2=NN(C)C(=O)CC2)CC1 12434509 VDYFXVZQKFADHB-UHFFFAOYSA-N 447.583 3.239 0 50 IGAA COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN([C@@H]2CCSC2)CC3)cc1 14741886 CALDEDXQMSTDIM-HXUWFJFHSA-N 445.629 3.498 0 50 IGAA COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[C@@H]4CCCO4)c(C)o3)cc2)o1 14878816 WYZPKGSFPLSJET-IBGZPJMESA-N 439.468 3.437 0 50 IGAA CCOc1ccc(C2C(C(=O)OC)=CN(C[C@H]3CCCO3)C=C2C(=O)OC)cc1OCC 16392956 LIRRPSIJDLOQCB-QGZVFWFLSA-N 445.512 3.176 0 50 IGAA O=C(/C=C/c1ccncc1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19836043 WGVVCNGKLNNMON-NRGMSUJUSA-N 446.595 3.458 0 50 IGAA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254399110 DDNFNZMFXRMHIQ-LYOSLQBBSA-N 432.557 3.290 0 50 IGAA CO[C@@H](C)c1nc(CN2CCCN([C@H](C)C(=O)N3CCc4ccccc4C3)CC2)cs1 439629749 BJKLYQJSBKTZRZ-MOPGFXCFSA-N 442.629 3.332 0 50 IGAA CCOC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 442986650 IMIJUYYPZCEMNB-UHFFFAOYSA-N 434.489 3.042 0 50 IGAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CC[C@@]3(C2)OCc2ccccc23)C1 474451590 ZBTRMCODYJLVBS-BVZFJXPGSA-N 430.508 3.073 0 50 IGAA CC1(C)[C@@H]2CC[C@@]1(C(=O)NCC[C@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)C(=O)C2 1875287851 CMNCGOUIJKDMPW-RVFQGNMQSA-N 444.539 3.490 0 50 IGAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)cc1O 2325876042 IZIHCMVHTDIZCE-UHFFFAOYSA-N 437.349 3.463 0 50 IGAA CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OCC 691940 QRZLLUZZHPQDIY-SFHVURJKSA-N 448.541 3.194 0 50 IGAA COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc2c(c1)OCO2 781152 LAZXBDVFMDHHGA-UHFFFAOYSA-N 437.448 3.137 0 50 IGAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)cc1 1883347 JDLNLTCTMGSZII-PZHBDVNGSA-N 448.544 3.195 0 50 IGAA O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 2873644 YKCOBHAFBJCQHI-CVEARBPZSA-N 425.279 3.200 0 50 IGAA Cc1cccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1 6442183 MFWAFHMNZICKAQ-UHFFFAOYSA-N 441.578 3.494 0 50 IGAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(OC)c3OC)C2)cc1OC 9369855 HZNAWCGRYWYRLP-KRWDZBQOSA-N 442.468 3.264 0 50 IGAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 11616768 FBVFZWUMDDXLLG-QZTJIDSGSA-N 426.586 3.374 0 50 IGAA biogenic,in-vitro COc1cc(Cl)c(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1OC 12038083 DBBWVVJOFQZAOU-SFHVURJKSA-N 449.983 3.230 0 50 IGAA Cc1ccccc1Cc1c(C(=O)NCCn2ccnc2)c(=O)cc(C)n1Cc1ccncc1 12242400 IVAONKHKNNQXHV-UHFFFAOYSA-N 441.535 3.126 0 50 IGAA Cc1c[nH]c(CCNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n1 12315047 MAKNJPOCRCALTO-UHFFFAOYSA-N 430.556 3.239 0 50 IGAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN([C@@H]1CCc3ccccc3C1)CC2 14755264 ARJBPPIDXRHCPU-HSZRJFAPSA-N 432.568 3.300 0 50 IGAA CC(C)N(C)C(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 15068174 QCMINPVOOLAJRP-LJQANCHMSA-N 431.577 3.350 0 50 IGAA CC[C@@]1(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)NC(=O)N(Cc2ccccn2)C1=O 20203835 UBLVMRAPEJZIGW-VWLOTQADSA-N 445.523 3.316 0 50 IGAA Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 36235648 JNNACVUCZVREMW-UHFFFAOYSA-N 445.449 3.050 0 50 IGAA CN(Cc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 55169073 QXNMZXJZWIYMPE-RUZDIDTESA-N 442.563 3.063 0 50 IGAA CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(CC)[C@@H]2CCCCCN2C3=O)CC1 169765985 BPRUSXQYNMMJKZ-NRFANRHFSA-N 442.560 3.220 0 50 IGAA Cc1cccc(N(CC(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)S(C)(=O)=O)c1 952985155 PJSXCHUPYVLKSG-OAQYLSRUSA-N 432.542 3.348 0 50 IGAA CC(C)CN1CC[C@H](N2CCOCC2)[C@H](CCC(=O)NCCc2cccc(Cl)c2)C1 1076077752 QAFGYEDQWDAMRL-GGAORHGYSA-N 436.040 3.458 0 50 IGAA O=C(N[C@H]1Cc2cccc(O)c2C1)N1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 1875263758 CFCGBXVEEQFEIQ-INIZCTEOSA-N 447.457 3.436 0 50 IGAA CCCc1nccn1[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3CCC)C2)C1 2325816895 MYACNQUAMAMJSN-BGYRXZFFSA-N 440.592 3.012 0 50 IGAA COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc2c1OCO2 1144305 FNDWZUAKDABNHT-MKMNVTDBSA-N 431.242 3.279 0 50 IGAA NC(=O)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2243990 MUNGLNMRFZUOTD-QFIPXVFZSA-N 430.460 3.320 0 50 IGAA in-vitro CC(C)(C)c1nnc2sc(SCC(=O)c3ccccc3OC(F)F)nn2c1=O 2597942 CGYHMABPARAECB-UHFFFAOYSA-N 426.470 3.420 0 50 IGAA COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 10156749 WDOKFNXCXZGFOQ-UHFFFAOYSA-N 435.867 3.453 0 50 IGAA COC(=O)CCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 11878664 MIUVMODNNLOALX-DEOSSOPVSA-N 442.600 3.217 0 50 IGAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12054701 PBUIWQTXVNZEOK-HNNXBMFYSA-N 426.448 3.180 0 50 IGAA COCCOC1CCN(Cc2cccc(OC[C@@H](O)CN(C)C3CCCCC3)c2)CC1 12438759 MFRIZSKELAVEGP-QHCPKHFHSA-N 434.621 3.318 0 50 IGAA COc1ccc(Br)cc1/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O 16730831 BMHYLALRDDWFJP-MHWRWJLKSA-N 428.311 3.445 0 50 IGAA CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19367194 ZVAGYYMRMYJSOW-OAQYLSRUSA-N 426.557 3.270 0 50 IGAA CCOc1ccc(CN2CCN(CC3=Cc4cccc(OC)c4OC3)C[C@H]2CCO)cc1 36385722 OBZIOJVEIQNUJV-HSZRJFAPSA-N 438.568 3.439 0 50 IGAA CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 239287338 CQAILSXGLKOREC-NMOFPLQQSA-N 447.572 3.476 0 50 IGAA CC(C)n1c(CCNC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)nc2ccccc21 252552147 UPWWNUAPZTWJJQ-HXUWFJFHSA-N 447.539 3.381 0 50 IGAA CCc1ccc(N(CC)C(=O)CN2C(=O)N[C@@H](c3ccccc3OC)C3=C2COC3=O)cc1 263618482 UACPYXOHMUNEPM-QHCPKHFHSA-N 449.507 3.188 0 50 IGAA O=C(NCc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263618610 UPUPYVKCLOVIAR-DEOSSOPVSA-N 446.555 3.013 0 50 IGAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CC[C@@H](c2ccccc2)C1 670467090 OLTYRHNZBNLRQZ-OAHLLOKOSA-N 427.854 3.126 0 50 IGAA CN(C)Cc1cnc(CN2CC[C@@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)s1 952891638 BDKIAUYSZDSESL-GOSISDBHSA-N 438.479 3.356 0 50 IGAA CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)CC1 1775975790 GAVQNEMDQVXIRI-UHFFFAOYSA-N 435.509 3.033 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O 2325819667 MLNYUHDOCVBFHP-DFULUXCASA-N 446.491 3.163 0 50 IGAA Cc1cc(O[C@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCC3 9346133 QRKDAQJBVGQZCO-QQFBHYJXSA-N 427.497 3.365 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)cc1OC 9847169 UCAYCWWGSVCPEY-UHFFFAOYSA-N 432.542 3.348 0 50 IGAA CCCCn1c(CN(C)CCCN2CCOCC2)cnc1S(=O)(=O)CCCC(C)C 11819008 IIXPOJFSSYHDGR-UHFFFAOYSA-N 442.670 3.047 0 50 IGAA COc1cccc(-n2c(CNC(=O)c3ccc(C)cc3)nnc2SCCN(C)C)c1 12247840 DCAVTGMDXBRTDK-UHFFFAOYSA-N 425.558 3.168 0 50 IGAA COc1cc(CN2CCC(CCO)CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12749572 OXQLBDTVNAGBKM-HSZRJFAPSA-N 434.621 3.294 0 50 IGAA COc1cc(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc(OC)c1OC 17098450 ZPCFYGYMHRANCW-UHFFFAOYSA-N 433.511 3.019 0 50 IGAA Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 170631058 OFACAPJSTXBFJN-YJBOKZPZSA-N 432.590 3.400 0 50 IGAA Cc1sc2nc(CCNC(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)nc(O)c2c1C 827731011 HKSVMZHOBQQSGC-KRWDZBQOSA-N 438.553 3.367 0 50 IGAA COC(=O)c1c(NC(=O)COC(=O)c2ccc(-c3cnco3)cc2)sc2c1CCC2 919499339 ZSRLDKFJZCLTFU-UHFFFAOYSA-N 426.450 3.474 0 50 IGAA COc1cccc2c1C1(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC1)OCC2 1704326310 UPABSUWFYJMWRF-UHFFFAOYSA-N 426.488 3.045 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Br 1053898 NQAQERXHDJRSFX-UHFFFAOYSA-N 439.331 3.495 0 50 IGAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 1167425 DOGWIVYHRMRUAD-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA Cc1cc(C)cc(OCn2ccc(C(=O)Nc3ccc(N4CCOCC4)c4nonc34)n2)c1 2799349 XLNCYJAAKSUTKE-UHFFFAOYSA-N 448.483 3.162 0 50 IGAA Cc1cc(O[C@@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCC3 9346131 QRKDAQJBVGQZCO-FHERZECASA-N 427.497 3.365 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)NCCc2ccc(Cl)cc2)(c2ccccc2)C1=O 11787272 XSMZHGWSEABOEM-XMMPIXPASA-N 442.943 3.122 0 50 IGAA COc1ccc(CNCC2CCN(C)CC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12297406 UQETXDVFIJVNQT-QHCPKHFHSA-N 433.637 3.132 0 50 IGAA COc1ncccc1C(=O)N1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 12757913 OAHVIOVXDCDVOC-NRFANRHFSA-N 449.511 3.090 0 50 IGAA CCCCCOc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OC 13140624 UOVILEBZFVLBKD-HMMYKYKNSA-N 449.532 3.304 0 50 IGAA Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1nc(-c3ccccc3)cs1)C2 14731298 OUGSGODKWJYYGG-UHFFFAOYSA-N 444.564 3.427 0 50 IGAA Cc1nonc1CNC(=O)c1c(CCc2ccccc2)n(Cc2ccccn2)c(C)cc1=O 14986500 UYIPEIGSPOPKSN-UHFFFAOYSA-N 443.507 3.007 0 50 IGAA Cc1ccc(-c2nc3s/c(=C/c4ccc(I)cc4)c(=O)n3n2)cc1 19834329 UVJNQSCQXAYKHE-XNTDXEJSSA-N 445.285 3.279 0 50 IGAA CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)[C@@H]1CCNC1=O 225659713 UXAPNMBGSSGUPX-HSZRJFAPSA-N 439.519 3.497 0 50 IGAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1C 245311366 ODGLKQQJSRDQJP-SMOZNVCYSA-N 435.911 3.388 0 50 IGAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1Cc1ccc(S(N)(=O)=O)cc1 252551892 UJWDLNASSUZDPH-UHFFFAOYSA-N 426.523 3.220 0 50 IGAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)C1 494865258 NEEBTHPVAFHDLI-BWRPXRPKSA-N 442.003 3.283 0 50 IGAA O=S(=O)(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(-c2nnc(C3CC3)o2)o1 828390835 FZYBJFCUCJGAKC-CQSZACIVSA-N 434.543 3.211 0 50 IGAA O=C(NCc1cc(Cl)ccc1OC(F)F)Nc1nc2c(s1)CS(=O)(=O)CC2 1310867213 YKIQWQWIWOEUAD-UHFFFAOYSA-N 437.877 3.191 0 50 IGAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(Cc1cccc(C)c1)C[C@@H]1CCCO1 1506411353 QRFDGNOKKBBMEB-IBGZPJMESA-N 433.526 3.001 0 50 IGAA O=C1CCN(C[C@H]2CC[C@H]2c2ccccc2)C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)N1 1875329094 DHDYKJVWEOUTCK-VJTSUQJLSA-N 442.563 3.385 0 50 IGAA COc1cccc2c1C1(CCN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CC1)OCC2 2356133992 RDEZQPUPANIPKR-UHFFFAOYSA-N 425.510 3.006 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)cc2)cc1OC 839924 WZCKSGPYVBCICZ-UHFFFAOYSA-N 444.509 3.117 0 50 IGAA COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)CC(=O)N(C)C1=O 12451600 QFONGCZUIQFAPF-NIYFSFCBSA-N 434.536 3.426 0 50 IGAA COCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 12710577 ILBXMMXWCPLLHZ-UHFFFAOYSA-N 438.484 3.441 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cccc(Cl)c1)C2 14532904 WAVISZSLHSKHAC-IBGZPJMESA-N 430.980 3.312 0 50 IGAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(Cc1cccn1-c1ccccn1)CC2 14539066 CQRUNJXXHUPSMA-UHFFFAOYSA-N 442.523 3.247 0 50 IGAA COCc1ccc(CN2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)o1 14747453 FJYGDLYEMWSEHU-XMMPIXPASA-N 435.524 3.251 0 50 IGAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1 14980726 RXAVXRVGCSHRKU-OAHLLOKOSA-N 441.958 3.027 0 50 IGAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(SC)nc2)CC1 55152846 KPLUGNIXXKGUTI-UHFFFAOYSA-N 438.557 3.493 0 50 IGAA C[C@H]1CCCCN1C(=O)CN1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170601566 JZMPUYMAOIIEAE-SFTDATJTSA-N 436.641 3.042 0 50 IGAA CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1[C@H]1C(=O)N(CCO)C(=O)[C@H]13 252694692 OIKFDHXDOGJMOI-QWOUXFHESA-N 443.584 3.490 0 50 IGAA biogenic Cc1cc(N2CCN(C(=O)c3cc(C4CC4)nc4ccc(Cl)cc34)CC2)n2ncnc2n1 433948888 NYIIBGQJVIANDX-UHFFFAOYSA-N 447.930 3.474 0 50 IGAA Cn1ccc(N2CCC[C@@H](NCC3(c4cccc(C(F)(F)F)c4)CCOCC3)C2=O)n1 439569019 JHWXXQBEOXJGGH-GOSISDBHSA-N 436.478 3.272 0 50 IGAA CC(C)(C)OC(=O)N[C@H](CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 745824599 KFCPTSYEEUQBOP-NHCUHLMSSA-N 446.592 3.195 0 50 IGAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)c2c1 804555031 FFZIZDHPTYHUOF-SSOJOUAXSA-N 443.507 3.198 0 50 IGAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCC(=O)Nc2ccccn2)cc1 824692090 HHSYUOXYFFQEOY-UHFFFAOYSA-N 447.447 3.062 0 50 IGAA O[C@H]1CN(Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CCN(c2ccccn2)CC1 1614377269 YYDBYCAMTACRCQ-ZEQRLZLVSA-N 436.600 3.160 0 50 IGAA COc1cccc(-c2nccn2CC2(CO)CCOCC2)c1OCCCn1ccnc1 1857668014 KZUFSHWBZQMVHF-UHFFFAOYSA-N 426.517 3.013 0 50 IGAA O=C(CCc1cc(O)no1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857705409 GJXHJNOXGQYYPC-FQEVSTJZSA-N 427.545 3.411 0 50 IGAA O=C1CCOC2(CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1Cc1nccs1 1857738520 LMOUXQZYDBPSQJ-UHFFFAOYSA-N 426.464 3.345 0 50 IGAA C[C@@]1(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)Cc2cncc(O)c2)CCc2ccccc2C1 1875361698 ZBPZAJVYKVSCHB-IBVSPSLBSA-N 433.552 3.021 0 50 IGAA CCCCn1nc(C(=O)Nc2ccc(-n3ccc(C(=O)O)n3)cc2)c2ccccc2c1=O 2325743603 NYNQGEVARYFCHE-UHFFFAOYSA-N 431.452 3.333 0 50 IGAA CC1(C)Oc2cc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3C(F)(F)F)ccc2NC1=O 2325824076 OKLOEBJVOPXNLD-QGZVFWFLSA-N 447.413 3.128 0 50 IGAA O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1)Nc1ccc(F)cc1 2325874512 PGOJZXKODWNXDX-YLJYHZDGSA-N 440.523 3.043 0 50 IGAA COc1cc(OC)c(CN2CCOc3ccc(C4(O)CCN(C)CC4)cc3C2)c(OC)c1 11996290 XJEJBEINIJXVLE-UHFFFAOYSA-N 442.556 3.020 0 50 IGAA C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cccc3c2C(=O)N(C2CCCC2)C3=O)CC1 12150077 XRFVYPQBXIZBPC-GOSISDBHSA-N 447.535 3.341 0 50 IGAA COC(=O)c1c(NC(=O)c2ccco2)c2cc(N[C@H](C)CCn3cccn3)cnc2n1C 14535445 YCOOSSFJQYAKCR-CQSZACIVSA-N 436.472 3.292 0 50 IGAA O=C1c2cccc(N3CCN(C/C=C/c4ccccc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 14972926 JKFQSLSWHDHNTJ-OWLMGLOSSA-N 431.536 3.297 0 50 IGAA CCc1cccc(C)c1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169752468 QMFIQGBDTRVDQI-UHFFFAOYSA-N 434.471 3.304 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Oc1ccc(OCc2ccccc2)cc1 239203524 SNWNWZGNBKDJNH-PYSZQBSGSA-N 429.472 3.224 0 50 IGAA Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1 239229103 USFAFMQIIRJSJG-VHKSZFODSA-N 431.488 3.146 0 50 IGAA COC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 239235749 WPTCZOHWTAYUNS-YVZLVKDNSA-N 443.455 3.250 0 50 IGAA COc1ccc([C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C3=NC(=O)N(C)[C@H]32)cc1 253471593 VSZUODXXMZFPDQ-UZLBHIALSA-N 439.468 3.074 0 50 IGAA O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CCc2c(Cl)cc(Cl)cc2C1 481061910 SRPNDYDTXKPGBN-UHFFFAOYSA-N 426.281 3.095 0 50 IGAA COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)cnc1O 2325824314 XXFIQMOYWGLDON-ZTFGCOKTSA-N 437.496 3.297 0 50 IGAA COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1[C@H](C(=O)OC)CC2 622579 RXBQFCNATYIGEF-LLVKDONJSA-N 449.481 3.016 0 50 IGAA CCOc1cc(C=O)cc(I)c1OCC(=O)NCc1ccccc1 684604 YMHOFIICPSCKKQ-UHFFFAOYSA-N 439.249 3.198 0 50 IGAA O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2F)CC1 1452055 KUOUWIWKVQYPEQ-UHFFFAOYSA-N 445.560 3.353 0 50 IGAA CC1(C)C[C@]2(C[C@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 2484398 XEOOHATVIZIQPX-UXHICEINSA-N 449.916 3.204 0 50 IGAA CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@H](C(=O)OC)c1ccccc1 2884851 FHOXDLLMWGBVCM-ROUUACIJSA-N 449.536 3.418 0 50 IGAA Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 4012943 FHIBYCFBVXRDCO-QHCPKHFHSA-N 441.487 3.396 0 50 IGAA aggregator CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 4102215 OIJXLIIMXHRJJH-KNLIIKEYSA-N 425.569 3.388 0 50 IGAA in-man COc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)c2ccccc12 11880428 XSGCGGHPKZIAKM-KNQAVFIVSA-N 434.544 3.053 0 50 IGAA CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)nc1C 13465365 VQICWMJDWFQJFC-UHFFFAOYSA-N 430.511 3.109 0 50 IGAA O=C1CN(Cc2cc3ccccc3o2)C[C@H](OCc2ccccn2)CN1CC1CCOCC1 14537601 FGHVURZMCRLXST-DEOSSOPVSA-N 449.551 3.484 0 50 IGAA O=CN1CCCN([C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)CC1 14981908 YSSUDJJNWTXJMD-SFHVURJKSA-N 428.602 3.060 0 50 IGAA COc1c(I)cc(I)nc1Br 43827465 JYOGYLZOYDLAHL-UHFFFAOYSA-N 439.816 3.062 0 50 IGAA COc1cccc(CC(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 169775697 OJWRZKLZLVGRCR-UHFFFAOYSA-N 430.508 3.147 0 50 IGAA COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)c2sc(C3CCCC3)nc2C)c1F 170617233 YIJHKXMSZHVVRQ-UHFFFAOYSA-N 444.481 3.293 0 50 IGAA CCn1c(CN2CCC[C@H]3CCCC[C@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 230011802 GAZPYVLUNCUTHY-WIYYLYMNSA-N 446.617 3.232 0 50 IGAA Cn1cc(C(=O)NC[C@@H](O)c2ccccc2F)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 253392922 KRABVNSIYPMNNW-HNAYVOBHSA-N 446.523 3.137 0 50 IGAA C[C@H]1CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](C)O1 253418287 NSBUMOZRVJKOTQ-GASCZTMLSA-N 433.911 3.343 0 50 IGAA COc1ccc(CNC(=O)[C@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)cc1 409414726 VMMBBINILGQGET-QFIPXVFZSA-N 429.476 3.211 0 50 IGAA biogenic O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 426242759 HXVKTYDOXBKGTB-NDGOVFEZSA-N 448.394 3.380 0 50 IGAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1S(=O)(=O)Cc1ccccc1 828248067 KWHMRUCBHRWFKI-LJQANCHMSA-N 440.565 3.181 0 50 IGAA C[C@H](C(=O)NCc1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 784371 VSNOPNDYKKQRAI-QGZVFWFLSA-N 425.510 3.345 0 50 IGAA Cn1c(=O)c2c(nc(Sc3ccc(Cl)cc3)n2Cc2ccccc2F)n(C)c1=O 1108723 VLMDZGDBOJOHFW-UHFFFAOYSA-N 430.892 3.426 0 50 IGAA biogenic Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1C 1130534 BEVCFACFTDRBRL-INIZCTEOSA-N 426.498 3.300 0 50 IGAA COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1Cl 2982667 QMCKGWHBZXIZJQ-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA CCN(CC)CCNC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1ccc(C)cc1 8871728 UZWFEVMWUBCIDV-PGMHBOJBSA-N 439.556 3.241 0 50 IGAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)CCOc2ccc(C)cc2)c1=O 12035565 VVGYVCUXCYNPSF-UHFFFAOYSA-N 425.529 3.173 0 50 IGAA CCN1C[C@H](CN(C)C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC1=O 12093145 MRNHQVJXYUIAOL-INIZCTEOSA-N 444.963 3.452 0 50 IGAA CCc1nc2cc(NC(C)=O)cc(C(=O)NCCc3cscn3)c2n1Cc1cccnc1 12242482 ZBQBXHMIQHZHSI-UHFFFAOYSA-N 448.552 3.429 0 50 IGAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)CCc2ccccn2)CC1=O 14531961 FXFIZXMAEYWVSQ-NRFANRHFSA-N 427.520 3.066 0 50 IGAA O=C1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H](OCC2CC2)CN1Cc1cccnc1 14741666 YIUGODLLWGIDTL-HSZRJFAPSA-N 449.530 3.250 0 50 IGAA CN(Cc1nccs1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 14959926 DNNOTYSIODWDHY-DEOSSOPVSA-N 433.533 3.485 0 50 IGAA CCOC(=O)C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1 16192548 LDKWTVGOVAFBEC-UHFFFAOYSA-N 440.525 3.210 0 50 IGAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3n2)CN1Cc1cc(C)c(OC)cc1C 64066719 JAYQWMQAWDVFIL-REWPJTCUSA-N 447.535 3.406 0 50 IGAA Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ncn2)c1C 72117480 MFXLYNWJUNMFHC-UHFFFAOYSA-N 429.887 3.426 0 50 IGAA COc1ccc(OC)c(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1 104458361 RGKWZGIEGKYJJZ-JOCHJYFZSA-N 428.573 3.398 0 50 IGAA O=C(Cc1cccc(F)c1)NCCn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 169754444 CNYLEEACFYPLNT-UHFFFAOYSA-N 434.427 3.432 0 50 IGAA CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1 169754946 URHGGFQOQSCPNO-UHFFFAOYSA-N 443.345 3.429 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2c(C)cccc2C)C2=C1C(=O)OC2 169780822 YUSWXUHWGSXPAY-QFIPXVFZSA-N 435.480 3.218 0 50 IGAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 239165007 NHUGWVFTIKMUQA-ZCNBOXHLSA-N 435.520 3.107 0 50 IGAA C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](C)O1 253418290 NSBUMOZRVJKOTQ-HUUCEWRRSA-N 433.911 3.343 0 50 IGAA CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3Cl)C2)ccn1 328591787 JMQKNDGCNXYCCN-GFCCVEGCSA-N 442.825 3.192 0 50 IGAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)s1 476768910 SXZHMRNUGPCFAA-NSHDSACASA-N 434.370 3.101 0 50 IGAA CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2(C)C)c1 1475373801 WZBJEKQTMNLLBE-UHFFFAOYSA-N 436.599 3.199 0 50 IGAA CC(C)(C)c1nc(CN2CCC[C@H](CNC(=O)c3cc(F)c(F)c(O)c3F)C2)no1 1875261245 MWCYBBILCKHQOW-LLVKDONJSA-N 426.439 3.132 0 50 IGAA O=C(NC[C@@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CCO1)c1cc2ccccc2o1 1875329158 HWTJDKPDFHWJGA-JOCHJYFZSA-N 447.535 3.055 0 50 IGAA O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 879989 MSQAHSAMEJMKLE-HNNXBMFYSA-N 443.352 3.484 0 50 IGAA Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 1135761 YILHGILGMPZCLK-DEDYPNTBSA-N 430.416 3.156 0 50 IGAA aggregator CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1cccs1 2492103 LAZYUSMLIZUMKZ-WCQYABFASA-N 436.555 3.098 0 50 IGAA Cc1ccc(C(=O)NC(=S)N2CCN(C(=O)OC(C)(C)C)CC2)cc1Br 2890886 XSMPKGYKPFIELA-UHFFFAOYSA-N 442.379 3.325 0 50 IGAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 8018015 IBGUAUZZMLDYFF-WOJBJXKFSA-N 440.521 3.434 0 50 IGAA CC[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(CCCOC)C3=O)C1 12149164 CHFYYIZSCJPHSM-OALUTQOASA-N 441.572 3.327 0 50 IGAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 12191064 NICSADFYWDWIQD-IBGZPJMESA-N 433.556 3.155 0 50 IGAA O=C(c1cccs1)N(Cc1ccc(OCCN2C(=O)CCC2=O)cc1)C[C@@H]1CCCO1 12201012 HGKUCEFQSNPETD-IBGZPJMESA-N 442.537 3.097 0 50 IGAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12762359 LQLLPIBQXYXEOA-JOCHJYFZSA-N 434.515 3.168 0 50 IGAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)CSc1ccccc1)CC2 14543358 LLSWJPPRPPFULU-UHFFFAOYSA-N 436.537 3.180 0 50 IGAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16447556 LWSRVLROUXGGFQ-SOSWSAFESA-N 446.613 3.216 0 50 IGAA O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 19831966 VLRISXOPPQTQRW-RUZDIDTESA-N 430.548 3.475 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 100552517 YIDQGOPSWLXLCP-FHQLIMNDSA-N 433.460 3.270 0 50 IGAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@@]34C(=O)O)[C@]1(Cl)CC[C@H]2C1=CC(=O)OC1 257348120 BNZWEZZSPRSQEB-CTNIWVBRSA-N 438.948 3.030 0 50 IGAA CCOC(=O)c1c(NC(=O)COC(=O)c2nnc(O)c3ccccc23)sc(CC)c1C 952961815 JQAAJQGTUYHKCR-UHFFFAOYSA-N 443.481 3.240 0 50 IGAA O=C1CCOC2(CCN(C(=O)c3cccc4nccnc34)CC2)CN1Cc1ccccc1 1704325222 GJWKXKVGMDIOBP-UHFFFAOYSA-N 430.508 3.054 0 50 IGAA COc1ccc(Cn2cnc(=NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)[nH]2)cc1 1875263199 XQUQSILSLIBFRN-UHFFFAOYSA-N 431.500 3.022 0 50 IGAA Nc1cncc(C(=O)N2CC([C@H]3CCCCN(C(=O)c4cnc5ccccc5c4)C3)C2)c1 1875361032 OYYCLVZJPLHXGT-SFHVURJKSA-N 429.524 3.227 0 50 IGAA O=C(CSc1ncn[nH]1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 2838647 XWQLJNVRBNPMNR-UHFFFAOYSA-N 427.555 3.406 0 50 IGAA CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 4195579 ZGZBAIADNXHZAU-KRWDZBQOSA-N 432.542 3.442 0 50 IGAA CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1OC 6552440 WLLPRYOIDRRSSP-UWVAXJGDSA-N 438.402 3.198 0 50 IGAA C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)C[C@@H](C)O1 13471021 WAZJBJXJSXYLOL-OWCLPIDISA-N 436.505 3.030 0 50 IGAA COC(=O)c1ccc(CN2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CCC2=O)cc1 14888738 CUFPMBVXHMNEDB-UHFFFAOYSA-N 440.927 3.419 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C)C1 14986461 HOXGGQCBXKOAPO-SFHVURJKSA-N 434.544 3.203 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(Cc1ccsc1)CC2 20454636 VAZRNLZPFUWCML-UHFFFAOYSA-N 449.576 3.175 0 50 IGAA Cc1cc(=O)oc2cc(NC(=S)NNS(=O)(=O)c3ccc4ccccc4c3)ccc12 50107611 DEGCLLHDLYSETH-UHFFFAOYSA-N 439.518 3.435 0 50 IGAA COc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1OC 169750938 XFUKJGWJROXCPG-KRWDZBQOSA-N 446.467 3.100 0 50 IGAA Cc1cccc(OCC(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 169775961 GQYGYPAKVHCDHM-UHFFFAOYSA-N 430.508 3.283 0 50 IGAA Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 253429440 TUGFBXGLMRTHGT-QHCPKHFHSA-N 436.489 3.209 0 50 IGAA Cc1nc(C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)nn1-c1c(Cl)cccc1Cl 1775988990 XWEDEOFPRQATIM-AEFFLSMTSA-N 438.359 3.241 0 50 IGAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)CC1 1875261477 ALCVMQZDEXNCCH-YKSBVNFPSA-N 437.565 3.351 0 50 IGAA O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2nccs2)C1 1875261855 DPRCZVVQXZUXFH-PXNSSMCTSA-N 446.532 3.483 0 50 IGAA CCCC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OCC)=C(N)O1 706131 BMCFFCDHVSYDJA-QHCPKHFHSA-N 428.485 3.036 0 50 IGAA CCOc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 857906 MDVMYAZKUXNFPK-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 1143765 VACCPEWVZXVINO-CQSZACIVSA-N 427.505 3.484 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)n1 2199921 NWZIURDKCIGWRJ-UHFFFAOYSA-N 437.572 3.183 0 50 IGAA CCCc1cc(C(=O)N(CCOC)CC2CCN(Cc3ccccc3OC)CC2)n(C)n1 11703172 RQZZNMIKOLOIMC-UHFFFAOYSA-N 442.604 3.382 0 50 IGAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)N1 12036059 JZLZPVUXQKPQIT-SANMLTNESA-N 447.535 3.099 0 50 IGAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccc(OCCO)c2)CC1 12711607 UZNNEUQQZWKVDB-UHFFFAOYSA-N 427.541 3.454 0 50 IGAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1ccccn1)CC2 14535683 HJUFTRXZWJOIAH-UHFFFAOYSA-N 443.551 3.344 0 50 IGAA O=C(NCCCO)c1cn(C2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)nn1 14975254 QBOGTCCFZSEAEB-UHFFFAOYSA-N 443.935 3.141 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)cc(-n3cnnn3)c2)c(OC)c1OC 15071069 NVONXMRZHHMTPA-UHFFFAOYSA-N 437.500 3.227 0 50 IGAA Cc1ccsc1CN1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 64158182 RKWFQRFFYVBMJE-KRWDZBQOSA-N 425.554 3.154 0 50 IGAA COc1ccccc1CC(=O)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 169754927 CSUHDHQKSVDZSQ-UHFFFAOYSA-N 444.329 3.301 0 50 IGAA CCOc1ccc(NC(=O)CN2CCC[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCCC1 229994526 YWKNMGXTUNCNQM-UYAOXDASSA-N 449.617 3.463 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]1[C@@H]1CCCN12 249698698 WFDQUOKRUGEQJS-YGWSKSRPSA-N 429.520 3.149 0 50 IGAA O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 427648102 OHJGOXZIKUTFHJ-JOCHJYFZSA-N 444.535 3.152 0 50 IGAA O=C(N[C@@H]1CCOC2(CCS(=O)(=NC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)C1)c1ccco1 2332238191 FNQKOWAGJTXEBH-LEKGBQKYSA-N 440.537 3.244 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)cc1 7060069 NLKVNDGDQNJNTK-VKJFTORMSA-N 428.794 3.453 0 50 IGAA O=C(CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)OCc1ccccc1 8666892 OIIGUBIRPLLJPL-PXLXIMEGSA-N 432.451 3.456 0 50 IGAA aggregator Cc1ccc2occ(CN3CCC([C@]4(CCC(C)C)NC(=O)NC4=O)CC3)c(=O)c2c1 12052878 GQCKNPSLRJGSIO-DEOSSOPVSA-N 425.529 3.328 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1)N1CCN(c2ccccn2)CC1 12385945 VXKWPFCUGHEAEB-GOSISDBHSA-N 441.963 3.111 0 50 IGAA O=C1N(Cc2ccccn2)C(=O)C2(CCN(C3CCOCC3)CC2)N1Cc1ccccc1 14539178 KRLRVPMKEOHVMX-UHFFFAOYSA-N 434.540 3.060 0 50 IGAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]cn3)CN(CCc3ccccc3)C2)cn1 14750173 PPKYSOVLMMVGSN-XZOQPEGZSA-N 447.583 3.032 0 50 IGAA Cc1nn(C)cc1CN(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cnccn2)CC1 14990984 HNLIYVXTMWOIRF-DEOSSOPVSA-N 432.572 3.114 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 18148860 KRVRDNWUIPNHGW-BGYRXZFFSA-N 442.493 3.092 0 50 IGAA Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1 23129719 IEFVMUWWAFLYNX-MRXNPFEDSA-N 425.483 3.414 0 50 IGAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccccc1Cl 169752430 VGHQFBQJHGISMZ-UHFFFAOYSA-N 426.835 3.087 0 50 IGAA Cc1ccc([C@H]2NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C3=C2C(=O)OC3)cc1 169757954 WERCKQBQWHLQCD-GAJHUEQPSA-N 433.508 3.010 0 50 IGAA CCOC(=O)[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1c(C)nn(Cc2ccccc2)c1C 170614374 BBWHEAAZLYTYFO-QFIPXVFZSA-N 437.544 3.439 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)CC2)cc1 247901501 FUJPUWGQPGSJGW-CNPJFBIHSA-N 432.586 3.037 0 50 IGAA CCCCON1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3[C@@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 252320811 UPYPGWHUZDBGJN-GLGTVBSDSA-N 441.138 3.394 0 50 IGAA CCC(=O)NCc1cc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)ccc1OC 443786530 ZPWVBWJSYCGPPX-KRWDZBQOSA-N 437.587 3.184 0 50 IGAA O=C(NCc1nc(O)n[nH]1)N1CCC[C@]2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1 1875302397 OMGFVFXMIXTHGD-LJQANCHMSA-N 439.347 3.015 0 50 IGAA COc1cccc(CN=c2nc(N3CCNCC3)c(C(C)C)c[nH]2)c1OC1CCCC1 1875342057 VSSIJGVJRBJVLT-UHFFFAOYSA-N 425.577 3.374 0 50 IGAA N=c1[nH]c2cc(C(=O)N3CCC[C@H]3[C@@H]3CCN(C(=O)CCCc4cccnc4)C3)ccc2o1 1875360322 FMYRFUVNFFMFQV-CTNGQTDRSA-N 447.539 3.111 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 784418 WICBGYVPMICVSG-UHFFFAOYSA-N 444.553 3.068 0 50 IGAA COc1cc(/C=c2\sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc(OC)c1OC 1124853 BLYSNKMBMGGWMD-WQRHYEAKSA-N 449.488 3.446 0 50 IGAA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@]1(NC(=O)c1ccccc1)C(F)(F)F 2863574 DWYMPCIYQBDMQU-QFIPXVFZSA-N 446.425 3.249 0 50 IGAA O=C(CCOc1ccccc1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccc2)CC1 11880436 XJSVILBFKGDMFU-DEOSSOPVSA-N 447.579 3.433 0 50 IGAA COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)CC3=O)c2c1 12379741 KAHVCUBMYKZXJU-KRWDZBQOSA-N 434.496 3.165 0 50 IGAA COc1ccc(S(=O)(=O)N2C(=O)/C(=C3\SC(=S)N=C3O)c3ccccc32)cc1 17124289 XQKAGOWCSAKOMN-PFONDFGASA-N 432.504 3.130 0 50 IGAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCN(CC2CC2)CC1 19884394 GGGWNHMIXLPIRY-UHFFFAOYSA-N 437.613 3.238 0 50 IGAA COCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C1CC1 146025937 GNDMXEAGAZOBEM-NRFANRHFSA-N 438.572 3.146 0 50 IGAA O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)N1CCN(c2ccc(F)cc2)CC1 169755548 ZYBYMVMVEQRZMA-UHFFFAOYSA-N 435.503 3.148 0 50 IGAA CC(C)c1cc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c2cnn(C(C)C)c2n1 241371267 MLXQYQGUGRVORD-UHFFFAOYSA-N 434.544 3.320 0 50 IGAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1 334160291 AHCYNRZNHREAHQ-FXAWDEMLSA-N 435.455 3.198 0 50 IGAA O=C(NC1CC1)c1sc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc1-c1ccccc1 888088809 RUUXNSNXVZQEDF-WBVHZDCISA-N 432.549 3.488 0 50 IGAA NC(=O)Nc1ccc(C(=O)COC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 913370599 GEOZQDRVCHBDKA-UHFFFAOYSA-N 447.426 3.332 0 50 IGAA Cc1c(NC(=O)c2cn(CC[C@@H]3CCCCN3)nn2)cccc1C(=O)Nc1nccs1 952977250 UWMBKUNBHHYYFN-HNNXBMFYSA-N 439.545 3.080 0 50 IGAA O=C(c1ccncc1F)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857699643 XIJIZBCRJBVZHE-IBGZPJMESA-N 425.504 3.459 0 50 IGAA O=C(C1CCNCC1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857707173 HHFXVRZUQBELHK-JOCHJYFZSA-N 427.589 3.001 0 50 IGAA Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1C 1875301165 BVBPAMPTDVVOTH-GOSISDBHSA-N 442.459 3.427 0 50 IGAA CN1CCN(c2ccc(CCNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)CC1 1875335619 ZIHSKEABIWAYAK-UHFFFAOYSA-N 446.599 3.446 0 50 IGAA C[C@@H](NC(=O)CN1CCN(C)c2cc(F)ccc21)[C@H](O)c1ccc(Br)cc1 2325860770 TYFLVPHMJDELDC-XCLFUZPHSA-N 436.325 3.083 0 50 IGAA COC(C)(C)c1nsc(N2CCC[S@@](=O)(=NC(=O)Cc3ccc(C)cc3)CC2)n1 2332238598 FCNYYQXTNBFNJS-LJAQVGFWSA-N 436.603 3.175 0 50 IGAA COc1cc(C(=O)Oc2ccc(OC[C@H](O)CNC(C)C)c(C)c2C)cc(OC)c1OC 638661 SQVISWDYYIJRMB-GOSISDBHSA-N 447.528 3.286 0 50 IGAA COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc(C(=O)N(C)C)c1C 679828 SARXQGWPXOMXHI-CSKARUKUSA-N 432.498 3.214 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 821174 SHFZEDWZFRHFSE-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cccs1 845806 FEUMTVRXTVLWGC-ZMUHTPIZSA-N 449.557 3.341 0 50 IGAA CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 1157360 CQULVJAYAURFEX-UHFFFAOYSA-N 443.569 3.451 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 1165559 QALKAWOAYYIZLE-HXUWFJFHSA-N 443.525 3.153 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 1203056 LCQDLRBIVGVMSK-GMZRZAENSA-N 430.529 3.382 0 50 IGAA CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 1211519 SAEQHMZUYBQWIO-KRWDZBQOSA-N 446.370 3.130 0 50 IGAA COC(=O)[C@@H](NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C(C)C 12429608 BJFHJBPTHRYIRT-QFIPXVFZSA-N 425.529 3.052 0 50 IGAA O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCN(c2ncnc3ccccc23)CC1 12438612 WAEPZYXDCFCGNO-UHFFFAOYSA-N 449.518 3.385 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 13590912 BLVSWUWCNBIIJC-PQQVPAHYSA-N 430.529 3.463 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccc(F)cc2F)C4)cn1 14993642 MZFPGOVAHKVWTQ-INIZCTEOSA-N 441.507 3.165 0 50 IGAA COc1ccc(S(=O)(=O)NNC(=S)Nc2cccc(Cl)c2Cl)cc1OC 17100014 HQHOZPURTHBXES-UHFFFAOYSA-N 436.342 3.191 0 50 IGAA CC(=O)N1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 20535814 MYAXDORBQOCXLD-QFIPXVFZSA-N 438.538 3.303 0 50 IGAA Cc1cccc(CN2CCN([C@@H]3CCc4c(c(C(=O)N5CCCCC5)nn4C)C3)CC2)c1 23354175 KMFSCLRHBWBVOD-JOCHJYFZSA-N 435.616 3.030 0 50 IGAA CC(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 240626753 HJAGGNIYQASAOM-VXKWHMMOSA-N 437.584 3.165 0 50 IGAA CN1CC[C@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@H]1c1ccc(Cl)cc1 252517177 BJRLCIXXQJXXFE-SIKLNZKXSA-N 425.916 3.164 0 50 IGAA CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)C1 328589359 YHCMACFGQLFBSA-XLIONFOSSA-N 428.554 3.468 0 50 IGAA Cc1cc(Br)c2c(c1)CN(C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)CC2 778190996 XKKUBQMHLBMYQF-HXUWFJFHSA-N 438.387 3.427 0 50 IGAA Cc1c(C)c2cc(-c3ccc4c(O)nc(=O)n(C[C@@H]5CCCO5)c4n3)c(O)c(C)c2oc1=O 1857526456 HXQQKQFGXHWWEN-AWEZNQCLSA-N 449.463 3.080 0 50 IGAA Cc1ccc(S(=O)(=O)NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)cc1 1875328585 ZWNACSPZBZGGKA-UHFFFAOYSA-N 439.415 3.366 0 50 IGAA C[C@@H]1CCC[C@@](O)(CNC(=O)C23CCC(C(=O)NC[C@@]4(O)CCC[C@@H](C)C4)(CC2)CC3)C1 2325750131 TWPAMROBBRKDBD-YLUXEFIVSA-N 448.648 3.442 0 50 IGAA O=C1CC[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)CN1CCCc1ccccc1 11933147 JRGYXIVHEAJQPF-QHCPKHFHSA-N 435.568 3.461 0 50 IGAA CC[C@]1(C2CCN(C(=O)c3sccc3C)CC2)NC(=O)N(Cc2ccccn2)C1=O 11995576 MFSUNUGTQVNVMT-JOCHJYFZSA-N 426.542 3.205 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCCN2CCCC2=O)C1 12021566 CJUVXEYERUPSKB-HSZRJFAPSA-N 436.499 3.082 0 50 IGAA O=C(Cc1cnc2ncnn2c1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F 12755628 OKGLIGZTZVWJTO-HSZRJFAPSA-N 426.455 3.462 0 50 IGAA CCOC(=O)[C@](C)(CNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C)c1ccccc1 170605691 MYYMKIFHQALILQ-SQJMNOBHSA-N 440.540 3.087 0 50 IGAA Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 253396689 BFAURSZAVUNUMG-CXFRRJOOSA-N 434.588 3.095 0 50 IGAA biogenic CS(=O)(=O)c1cc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)ccc1Cl 328594519 PYEPUDUAUMXMCM-UHFFFAOYSA-N 432.926 3.284 0 50 IGAA O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H](O)c1ccc(Cl)cc1F 390832921 AGTCKIQXCWJTOE-ZWKOTPCHSA-N 426.822 3.098 0 50 IGAA O=C(CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)Nc1ccc2nc(O)[nH]c2c1 756035213 RMRJQCSFBUYYEZ-HXUWFJFHSA-N 443.507 3.255 0 50 IGAA O=C(N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1cc2nn[nH]c2cc1F 817028073 ZRFBGPBYTJEEPL-KNQAVFIVSA-N 436.418 3.417 0 50 IGAA CO[C@@H]1C[C@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)c2cncn2-c2ccc(F)cc2)C1 1875254773 ROGHELFHFFINAS-UYAOXDASSA-N 432.459 3.399 0 50 IGAA COC(=O)c1[nH]c2ncnc(NCC3(O)C4CC5CC(C4)CC3C5)c2c1Br 2325840318 XLFBKZRRVNDQDW-UHFFFAOYSA-N 435.322 3.106 0 50 IGAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)nc(C)n1 2356156952 YADDAQZTUIQHTO-FUKQBSRTSA-N 436.531 3.317 0 50 IGAA CCOC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c3c(c(=O)oc2c1)CCCC3 630330 KIJILEWHGSWRGV-ZIAGYGMSSA-N 432.469 3.333 0 50 IGAA COc1ccc(N2C(=O)[C@@](NC(=O)c3ccccc3Cl)(C(F)(F)F)N=C2O)cc1 2393744 IAZPOZPOUJSTFH-KRWDZBQOSA-N 427.766 3.298 0 50 IGAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 2875498 FKMPGMOMUOWIOR-SNVBAGLBSA-N 431.297 3.070 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 2979459 GAKPSGGVUORHJL-UHFFFAOYSA-N 441.484 3.067 0 50 IGAA COC(=O)c1ccc(CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)o1 4034513 JJGJPKBYTBEJJQ-UHFFFAOYSA-N 437.861 3.090 0 50 IGAA COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cnn(C(C)C)c2)CCO3)C1 11969607 OQEZYFTZFXROSL-HXUWFJFHSA-N 426.561 3.357 0 50 IGAA CC(C)COc1ccc(C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C(=O)NCCO)cc1 12382346 LODQLXFWIJBNCS-HZHRSRAPSA-N 440.540 3.388 0 50 IGAA O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1ccc(Br)cn1 17101961 UWIDTKCSGFWEKT-ZDUSSCGKSA-N 438.351 3.223 0 50 IGAA CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccco4)ccc3n2CC)CC1 20707119 AJZZLHXEPKJYBE-UHFFFAOYSA-N 425.489 3.176 0 50 IGAA CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 20776764 NACKFEXJLPMQNU-IBGZPJMESA-N 433.556 3.155 0 50 IGAA COC(=O)[C@](C)(CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 429090539 BAMZHTFUUGTJLU-XVWGUNQUSA-N 427.520 3.391 0 50 IGAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccc2sc3c(c2c1)CCNC3=O 952986326 KZYDTSQSLFMQGJ-CQSZACIVSA-N 425.554 3.050 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)s3)CC2)cc1 1875262288 ZUFOLJGZIZEQKM-UHFFFAOYSA-N 448.492 3.386 0 50 IGAA COc1cccc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1OC 892998 IUOBFGCGRKXBAV-UHFFFAOYSA-N 434.492 3.220 0 50 IGAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CCCCC2)cc1 1131015 NBBXGRZTGHHJCR-JOCHJYFZSA-N 428.554 3.260 0 50 IGAA CCc1nc(C)c(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)[nH]1 11820203 CFJHVRPDWYLSEC-UHFFFAOYSA-N 434.968 3.354 0 50 IGAA COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc(O)cc2)C1 14746548 ZIZIGEMKLWTNFN-FYYLOGMGSA-N 437.584 3.251 0 50 IGAA CCCc1c(C(=O)NCCc2ccccn2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 15004348 SRCTXIGJQBLFGF-UHFFFAOYSA-N 433.508 3.254 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cnc(N3CCOCC3)s2)C1 19836580 CTXJUIPNEXTMCN-HSZRJFAPSA-N 429.586 3.368 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4Cl)ccn3n2)c1 169777062 IAQOZXYVMGXJAH-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(C)=O)ccc1OCc1ccccc1 245015309 LVGMWIKGKRCHPM-BJLQDIEVSA-N 438.402 3.084 0 50 IGAA O=C1N(CN2CCN(c3ccccc3F)CC2)c2ccccc2[C@]12O[C@H]1CCCC[C@H]1O2 252430842 NWXDETRUVRPHDP-FVRPBGSPSA-N 437.515 3.463 0 50 IGAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@]1(Cl)CC[C@H]2C1=CC(=O)OC1 257348121 BNZWEZZSPRSQEB-DVRHPWFCSA-N 438.948 3.030 0 50 IGAA CCN(CC)CC[C@H](CO)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 328592178 IMJKKKFFUXCIKW-LJQANCHMSA-N 426.586 3.449 0 50 IGAA Cc1cc(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c(C)n1-c1cnn(C)c1 1351174943 ITUDNCJDMQYRMD-UHFFFAOYSA-N 431.418 3.484 0 50 IGAA O=C(N[C@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1)c1cccs1 1875262062 SDYLZVGIAQLKLO-ICSRJNTNSA-N 425.554 3.127 0 50 IGAA N=c1nc(C2CCCC2)nc(N2CCC(=CCNC(=O)c3ccnc(F)c3Cl)CC2)[nH]1 1875387560 NKPVCRDHHOHYBD-UHFFFAOYSA-N 445.930 3.086 0 50 IGAA O=C(CN1CC[C@@H](O)C12CCCCCC2)N1CCN(Cc2c(F)cccc2Cl)CC1 2325826464 BVOBSFUUYMESGI-OAQYLSRUSA-N 437.987 3.283 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)c2cn(-c3ccccc3)cn2)CC1)[C@H]1Cc2ccccc21 2332238509 BCBFEVCHLLBLFR-MNAQKMTRSA-N 448.548 3.053 0 50 IGAA O=C(N[C@H]1CCCC12CN(c1nc(-c3cccnc3)nc3ccccc13)C2)c1ncccn1 2332239583 SCQMGVANLCTJPY-FQEVSTJZSA-N 437.507 3.271 0 50 IGAA O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1cccc2ccccc12 855839 SFYVUAOGRFINQQ-INIZCTEOSA-N 446.787 3.473 0 50 IGAA O=C(NC(=S)NCc1ccccc1)c1ccc(Cn2cc(Br)cn2)cc1 2797417 YWNHKNKQDPRUMZ-UHFFFAOYSA-N 429.343 3.498 0 50 IGAA CCOc1ccc(N([C@@H](C)C(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 2980555 JHKARZRIRPCRNO-KRWDZBQOSA-N 436.599 3.457 0 50 IGAA COc1cc(CNCC2(O)CCCCC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12111991 YJYHOPAUPTZELY-JOCHJYFZSA-N 434.621 3.484 0 50 IGAA CCCc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n(C)n1 12713085 NBEVOWPYFDXGSA-FQEVSTJZSA-N 443.611 3.428 0 50 IGAA CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCn2ccc(C)n2)C3)n1 14989776 LATOIMPAWAQITJ-INIZCTEOSA-N 427.505 3.020 0 50 IGAA COc1ccc(CNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1OC 49547053 SXZKNGBMICBLQT-UHFFFAOYSA-N 429.476 3.397 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 55054106 HJBWGZLSBYKUSQ-NRFANRHFSA-N 431.939 3.391 0 50 IGAA CCc1cccc(NC(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757857 VDNDWEMPBABCMQ-HXUWFJFHSA-N 425.872 3.418 0 50 IGAA C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1=O 170623571 ZMENBSJMJCHXAW-OYHNWAKOSA-N 428.916 3.426 0 50 IGAA Cc1ccc(NC(=O)NCc2noc(-c3cccc(Br)c3)n2)cc1C(N)=O 225524172 NLIKWFFRPCNFHA-UHFFFAOYSA-N 430.262 3.228 0 50 IGAA O=C(Cc1ccc(I)cc1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 328591529 VYOIHUMBYSIMOI-IRXDYDNUSA-N 425.241 3.307 0 50 IGAA O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433578895 SHMIBBJYYOCRLK-AGILITTLSA-N 440.499 3.467 0 50 IGAA CC(=O)NCc1ccc(S(=O)(=O)N2CCc3cc(Br)cc(F)c32)s1 477122107 BRJANUZHZTYSCM-UHFFFAOYSA-N 433.324 3.037 0 50 IGAA Cc1cccc(Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)n1 1875344318 BZNAARWTWDWRQV-UHFFFAOYSA-N 437.503 3.208 0 50 IGAA CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2nnc3ccc(C(F)(F)F)cn23)ccn1 1875351096 KUFRCOVWKFZHKT-UHFFFAOYSA-N 436.394 3.420 0 50 IGAA Cc1cncc(CC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)c4ccc5c(c4)ncn5C)C3)C2)c1 2325818067 XTJQWZITFROXOD-FCHUYYIVSA-N 445.567 3.220 0 50 IGAA C[S@](=O)(=NC(=O)C1(c2ccccc2F)CC1)C1CCN(C(=O)c2cscn2)CC1 2332238577 DEXCJAKAHAUVNC-GDLZYMKVSA-N 435.546 3.243 0 50 IGAA O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356153622 ODRILPDHIWEAPZ-OAHLLOKOSA-N 436.537 3.068 0 50 IGAA Cc1sc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccccc3)c(=O)c2c1C 1099204 MPRBKGYWBSPZGA-MRXNPFEDSA-N 429.567 3.451 0 50 IGAA COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3c(C)n[nH]c3C)c3ccccc32)cc1OC 1120553 AUFPNAAGWWMQPX-DEOSSOPVSA-N 435.480 3.051 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1Br 1138184 DUYZZQGGDBRXBF-UHFFFAOYSA-N 427.320 3.397 0 50 IGAA CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2cccnc2)s1 2823203 BBBKTRZBSBKKHE-UHFFFAOYSA-N 437.568 3.085 0 50 IGAA Cc1cnc(-n2ncc(C(=O)N(C)C[C@@H]3COCCO3)c2C2CC2)nc1-c1cccs1 12027582 QVKBNSGYBRXWMD-MRXNPFEDSA-N 439.541 3.064 0 50 IGAA CCc1nccn1CCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2)C1 12442593 HZIFJVACRVWGST-XMMPIXPASA-N 428.552 3.498 0 50 IGAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1F 16248386 RMLMFUSUDLRSGZ-UHFFFAOYSA-N 447.532 3.293 0 50 IGAA CCN1CCN(C[C@H](O)COc2cccc(CNCc3cccc(SC)c3)c2)CC1 19222188 XGFYAHZWPSXZLV-QFIPXVFZSA-N 429.630 3.076 0 50 IGAA CC(C)c1ncsc1C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)CC1 2332238427 UNHYMTLOWVULOJ-ZUGKJJTMSA-N 441.619 3.167 0 50 IGAA CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 630755 UQNYKRMDNPPLOR-FQEVSTJZSA-N 430.570 3.371 0 50 IGAA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1I 2999000 YSSKTIYMWSEWNJ-UHFFFAOYSA-N 440.262 3.425 0 50 IGAA COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)S[C@H](C)C3)cc1 6559298 FVBCRCPBMDTPIK-LLVKDONJSA-N 446.579 3.465 0 50 IGAA COc1cccc(Cn2cc(C(=O)NCc3ccc(C)cc3)c(=O)c(C(=O)NC(C)C)c2)c1 12160891 KGANIAHCJYUUOH-UHFFFAOYSA-N 447.535 3.282 0 50 IGAA Cc1oc(-c2ccc(NC(=O)c3cccnc3)cc2)nc1CNC(=O)[C@H]1CCCCN1C 15008139 GQBBGONMQZNLOL-OAQYLSRUSA-N 433.512 3.398 0 50 IGAA CC1CCN(C(=O)Cn2cnc3c(sc4nc5c(cc43)COC(C)(C)C5)c2=O)CC1 16552384 IDGSORZZYUMNCD-UHFFFAOYSA-N 426.542 3.116 0 50 IGAA COc1cc(CN2CCN(c3ccccc3F)CC2)cc(I)c1O 16662839 YDRUGCSLOWYUCK-UHFFFAOYSA-N 442.272 3.467 0 50 IGAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2)C(C)C 20785231 PJCPWIPMRJXFJE-NRFANRHFSA-N 449.983 3.230 0 50 IGAA CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3cccc(OC)c3)C2=O)cc1 101160234 FEKFNCJJQKXFQS-IBGZPJMESA-N 428.510 3.488 0 50 IGAA CCOc1ccc(CC(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1 169777965 FZCGEKJIXDAEGJ-IBGZPJMESA-N 444.495 3.410 0 50 IGAA CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@]2(CC=CCC2)C1 170626822 DZGPBUQWZHGSAO-WMZHIEFXSA-N 429.586 3.489 0 50 IGAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@H]2C1=O 245256986 VKWBXJLBXLQMHT-HZEGPAAWSA-N 436.533 3.161 0 50 IGAA Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCc4c[nH]c5ccccc45)C[C@@]34C=C[C@H]2O4)cc1 252693352 CVKSAWFNCUVBLV-FCBCXNLDSA-N 427.504 3.440 0 50 IGAA biogenic COCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1-c1nccc(-c2ccco2)n1 299788062 ZYXJNTCHFVBUNF-UHFFFAOYSA-N 449.467 3.016 0 50 IGAA Cc1cccn2cc(COc3ccccc3C(=O)NCCNC(=O)c3ccc(O)cc3)nc12 436645181 ZULXVZRRYOXYOA-UHFFFAOYSA-N 444.491 3.087 0 50 IGAA COC(=O)[C@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 1775972258 VUZPSACLDKGMIX-QGZVFWFLSA-N 426.421 3.348 0 50 IGAA CSc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 2325819489 GQLRDFGZMSVHIY-UHFFFAOYSA-N 435.908 3.124 0 50 IGAA COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 10741890 SHFMCBABPNSFMP-LJQANCHMSA-N 425.504 3.035 0 50 IGAA O=C(Cc1c(F)cc(F)cc1F)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 11790231 BVJOFNXSCCJNEH-GOSISDBHSA-N 433.474 3.371 0 50 IGAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12072595 LDKWFUDMMPKWAL-QFIPXVFZSA-N 434.515 3.168 0 50 IGAA CCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccncc3)nc3ccccc13)CC2 14538184 COBDQHKIRRSPGT-UHFFFAOYSA-N 441.491 3.406 0 50 IGAA CN1CCC[C@H](CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1 14975874 SYBZYCPQGBJLOL-SFHVURJKSA-N 444.620 3.296 0 50 IGAA COC(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55099259 XQNNOXDFXAGZHW-FQEVSTJZSA-N 425.504 3.039 0 50 IGAA O=C(OCC(=O)c1cccs1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239302506 FJKXRGSDWAUEKN-KPARWEMLSA-N 433.485 3.345 0 50 IGAA COc1ccc(C(=O)CCC(=O)NC[C@@H]2Cc3cc(F)cc(-c4cncnc4)c3O2)cc1 299761625 XBCFKNJARDUVFU-FQEVSTJZSA-N 435.455 3.374 0 50 IGAA O=C(O)CCc1cn(-c2ccccc2CCC(=O)N2Cc3cc(F)c(F)cc3C2)nn1 1875325366 WKZIPCUHHVVCBS-UHFFFAOYSA-N 426.423 3.038 0 50 IGAA Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cn(C)nc3C(=O)N(C)C)cccc2c1=O 2325749006 RGGKUKACSXIILU-UHFFFAOYSA-N 430.464 3.456 0 50 IGAA CC1(C)CC(=O)c2cc(C(=O)N[C@H]3CCSC3=O)c(=O)n(-c3ccc(Cl)cc3)c2C1 1139769 LHKLZCHFOZFMTP-INIZCTEOSA-N 444.940 3.408 0 50 IGAA Cc1nnc(NC(=O)C[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1 3627402 GJWHNBNVIOQVRS-KRWDZBQOSA-N 430.555 3.280 0 50 IGAA Cc1ccc(N2C(=O)c3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)cc1C 8895586 DCZWTAUWRBBEFG-UHFFFAOYSA-N 439.427 3.045 0 50 IGAA CN(C)S(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 9013578 JBEHHBCTDPSITH-UHFFFAOYSA-N 425.919 3.218 0 50 IGAA COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3N3CCOCC3)n2)cc1 9235785 YGOAZJRFGCHJEU-UHFFFAOYSA-N 425.514 3.048 0 50 IGAA CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 12612201 MZQVMAICVIIIAR-NRFANRHFSA-N 432.505 3.054 0 50 IGAA O=C(NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)c1cccc(F)c1 20208316 GHGXMGLQUDDOGV-UHFFFAOYSA-N 447.436 3.424 0 50 IGAA COc1ccc(CCc2nnc(CCC(=O)N3CCN(C)[C@@H](c4ccccc4)C3)o2)cc1 20600875 OGBLTYSIPALYAK-JOCHJYFZSA-N 434.540 3.311 0 50 IGAA Cc1cc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C(C)C 22147710 JYLXMQPOVAKPCJ-OAQYLSRUSA-N 426.557 3.405 0 50 IGAA COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@H]1C(=O)c1cccnc1 245247812 XTJZSVUZJAZSPM-LVCYWYKZSA-N 445.397 3.347 0 50 IGAA CCc1ccc(N(CC)C(=O)CN2C(=O)N[C@H](c3ccc(OC)cc3)C3=C2COC3=O)cc1 263618134 RKQZBJJKAKSHNA-HSZRJFAPSA-N 449.507 3.188 0 50 IGAA O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCCN(Cc2cscn2)CC1 303184068 LJEWHTLHJOXORF-UHFFFAOYSA-N 425.558 3.249 0 50 IGAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)c1=O 824396342 JJUSAXYNPBPNLR-INIZCTEOSA-N 443.418 3.492 0 50 IGAA CC(=O)NCCCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857702483 CQXJVSJZUSDCNS-HSZRJFAPSA-N 429.605 3.391 0 50 IGAA O=C(c1ccc(-n2ncc3ccccc32)c(Cl)c1)N1CCN(c2ccc(O)nn2)CC1 1875263235 GHHDVCMLNUYUEO-UHFFFAOYSA-N 434.887 3.137 0 50 IGAA NS(=O)(=O)c1ccccc1-n1nc(CCCO)nc1-c1cc(-c2ccccc2)cs1 1875348188 ISAHBZRODMZUFY-UHFFFAOYSA-N 440.550 3.235 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccc(F)cc2)cc1 780808 SVRUKCVZFOATLS-UHFFFAOYSA-N 427.501 3.036 0 50 IGAA COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 814465 WCQOYUWGKPZHQR-QGZVFWFLSA-N 436.917 3.284 0 50 IGAA CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(OC)cc1 1122679 LPFYEUCLQSNECR-UHFFFAOYSA-N 430.555 3.316 0 50 IGAA COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC 1145498 IRUDIWPIQBGPGY-UHFFFAOYSA-N 448.541 3.332 0 50 IGAA CC(C)[C@H](NC(=O)c1cccs1)c1nnc(SCC(=O)Nc2nccs2)n1C 2860441 ODPWEEHYLBVASM-ZDUSSCGKSA-N 436.588 3.191 0 50 IGAA COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc21 8592806 WFXHTSCCXYLNBV-UHFFFAOYSA-N 440.930 3.061 0 50 IGAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 11783122 XBYVXOOZYCDXFS-SFHVURJKSA-N 445.567 3.121 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CCC(Cc3ccccc3)CC1)C2 14742405 MMZGEXBSLLLSJZ-OAQYLSRUSA-N 438.641 3.421 0 50 IGAA COc1cccc(COc2nc3cc(F)ccc3cc2CNC[C@H]2CCS(=O)(=O)C2)c1 15004520 MSQVLKXJFOUQKV-QGZVFWFLSA-N 444.528 3.486 0 50 IGAA COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 16194206 VIDSHFAIJGRJFG-UHFFFAOYSA-N 431.297 3.185 0 50 IGAA COc1ccccc1N1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 16625698 SZWHKYWKQBYELO-UHFFFAOYSA-N 446.532 3.394 0 50 IGAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(OC)c1 19853106 XYBSWZZBLHOSGW-UHFFFAOYSA-N 426.538 3.364 0 50 IGAA CC(C)NC(=O)[C@@H]1C[C@@H](NC2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1 23358618 NAVWJOAPDZUQGP-FTJBHMTQSA-N 434.628 3.408 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nn2)nc1 72139312 MYVNRBVHIAIDHX-UHFFFAOYSA-N 438.919 3.305 0 50 IGAA CCOC(=O)c1ccc(C)c(S(=O)(=O)N(c2ccccc2OC)C2CCN(C)CC2)c1 170617405 NOPBCWKLDGCHOV-UHFFFAOYSA-N 446.569 3.470 0 50 IGAA CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)n[nH]1 225416383 YFKPVZVQCJMSNA-QAETUUGQSA-N 447.605 3.476 0 50 IGAA CCOC(=O)c1cc(S(=O)(=O)Nc2cnc3c(Br)cccn23)ccc1C 328594036 JXEHQCHNFMFBOI-UHFFFAOYSA-N 438.303 3.383 0 50 IGAA COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)cn3)[nH]2)c1 1875264941 YBMIVZSCEFRZGN-UHFFFAOYSA-N 446.555 3.321 0 50 IGAA CN(CC/C=C1/c2ccccc2COc2ccccc21)C(=O)C(=O)N=c1cc2n([nH]1)CCC2 1875302395 OIYRKENUVQBZAU-MTJSOVHGSA-N 442.519 3.063 0 50 IGAA O=S1(=O)CCN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)Cc2ccccc21 2325866322 HKLGAWVMQJJHPE-UHFFFAOYSA-N 430.533 3.458 0 50 IGAA CC1(C)C[C@H]1C(=O)N1CCC[S@@](=O)(=NC(=O)c2csc(N3CCCCC3)n2)CC1 2332238470 AMYRCMRMKFGAJL-WNNBVUDTSA-N 438.619 3.020 0 50 IGAA COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(OC)c1 1143872 SEMPDVSTIQWAGG-UHFFFAOYSA-N 448.541 3.332 0 50 IGAA COC[C@@H](C)NC(=O)c1c(COc2ccc(C)cc2)n(Cc2ccccn2)c(C)cc1=O 11782928 LTZNWGBQMFMTPK-GOSISDBHSA-N 435.524 3.252 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2ccccc2C)sc2c1CCN(C(=O)C(C)C)C2 12244377 YGFIKOMCSRLTIR-UHFFFAOYSA-N 436.555 3.185 0 50 IGAA CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccn3)n2C)sc(C)c1C 17097608 FILDGOZBJRMTTB-UHFFFAOYSA-N 431.543 3.463 0 50 IGAA CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 230493673 AGLASZLADDHYAZ-UHFFFAOYSA-N 447.569 3.377 0 50 IGAA CC(C)C[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248292116 UOXIHMVSTHJASE-NJDAHSKKSA-N 439.556 3.385 0 50 IGAA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(CCO)C(=O)[C@H]13 252265752 OIKFDHXDOGJMOI-UMNDFRLPSA-N 443.584 3.490 0 50 IGAA COc1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)cc1OC 263615978 GIQONSWRJCDBDT-FQEVSTJZSA-N 442.903 3.193 0 50 IGAA C[C@@H](O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H](C)C1 476863459 XEHIWGPCBOCRAT-RTBURBONSA-N 436.531 3.134 0 50 IGAA O=C(NC1(c2nn[nH]n2)CC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 477043448 KXOOGZLMMCPVTH-UHFFFAOYSA-N 432.315 3.380 0 50 IGAA C[C@@H](CC(=O)NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)cc1 777314976 MIFBMBNPQVEBOY-AWEZNQCLSA-N 431.901 3.240 0 50 IGAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(Cc1cccc(C)c1)C[C@H]1CCCO1 1506411354 QRFDGNOKKBBMEB-LJQANCHMSA-N 433.526 3.001 0 50 IGAA CN(C)C(=O)[C@H]1CC[C@@H](Cn2c(-c3cnccn3)cs/c2=N\c2ccc(F)cc2F)O1 1875255763 BFAIOMGQECLLFL-ZEPDNSHZSA-N 445.495 3.153 0 50 IGAA CC(=O)N(CCc1ccccc1)CC(=O)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1 1875260479 TWAKJDQSHJQFMV-UHFFFAOYSA-N 446.551 3.064 0 50 IGAA COc1cccc(OC)c1OCc1nnn([C@]2(C(=O)O)CC[C@H](Cc3ccccc3)C2)n1 1875323064 VFSXUAZZXUKQGT-UZUQRXQVSA-N 438.484 3.092 0 50 IGAA CC(C)(C)OC(=O)N=c1ccn(C(C)(C)C(=O)OCc2cc3ccccc3nc2O)[nH]1 1875351995 PINCJGSYPBQMSM-UHFFFAOYSA-N 426.473 3.384 0 50 IGAA O=C(N[C@@H](CO)c1ccccc1)C(F)(F)CCn1cc(-c2ccc3cnccc3c2)nn1 2325861582 UNBJHUHICKNDPM-NRFANRHFSA-N 437.450 3.369 0 50 IGAA C=CC(=O)N1CCC(C(=O)N=c2cc(-c3cc(Br)ccc3Cl)[nH][nH]2)CC1 2325889229 GPUNKZHYIRWAPV-UHFFFAOYSA-N 437.725 3.278 0 50 IGAA OCCNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 2192133 VSLAFYDZWVLFLW-UHFFFAOYSA-N 429.733 3.128 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc(Cl)c2)c1 4291152 ITCXGYBVVJHNGH-UHFFFAOYSA-N 426.922 3.397 0 50 IGAA CCOc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1Cl 9972101 QPVMMLFKAZKMII-UHFFFAOYSA-N 437.949 3.073 0 50 IGAA CN(CC[C@H](O)c1ccccc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 12198061 RPJDYWZPNDNRMF-QHCPKHFHSA-N 441.597 3.475 0 50 IGAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3nccs3)CC2)[C@H]1OCCOC 14987957 NSGAHRAORMPRNQ-YADHBBJMSA-N 429.586 3.289 0 50 IGAA Cc1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCOCC2)o1 19742306 PHSZTDRUBNVQJF-XLIONFOSSA-N 426.542 3.058 0 50 IGAA Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCCN2CCOCC2)cc1 19794773 WXJDNAZUIHSNBZ-XLNRJJMWSA-N 441.959 3.258 0 50 IGAA O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc2ccccc12 22806237 RVIFBTRDKRLZQF-JOCHJYFZSA-N 443.503 3.018 0 50 IGAA O=c1c(CN[C@H]2CN3CCC2CC3)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 23358862 UTOZCJYVBHAJTG-NRFANRHFSA-N 435.499 3.101 0 50 IGAA NC(=O)[C@H](c1ccc(Br)cc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1 170638459 WXOACIBVXGLFJJ-ZDUSSCGKSA-N 444.186 3.335 0 50 IGAA CC[C@@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 241961255 UQRFAYQJHYMTAO-IBGZPJMESA-N 431.489 3.467 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C(=O)O)[C@H]3C2=O)cc1 245310349 IJYVDSXEAORJEH-YPAWHYETSA-N 444.443 3.445 0 50 IGAA O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433578896 SHMIBBJYYOCRLK-FGCOXFRFSA-N 440.499 3.467 0 50 IGAA O=C(COC1CCOCC1)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952893902 OOWHKSNDZLPQGI-IBGZPJMESA-N 443.397 3.104 0 50 IGAA CC[C@](C)(O)c1cn(C2CCC(NC(=O)c3cnn(C)c3Cc3ccccc3)CC2)nn1 1875358182 MNKKZVFLAZQOCO-MORLXBONSA-N 436.560 3.134 0 50 IGAA COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC 655244 XYSPDAMIRDYXCD-FQEVSTJZSA-N 427.526 3.452 0 50 IGAA NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCCC4)cc1 2845559 OOZVLJMGPNDOHW-UHFFFAOYSA-N 448.595 3.338 0 50 IGAA CN(C[C@@H](O)COc1ccc(OC[C@H](O)CN(C)c2ccccc2)cc1)c1ccccc1 8398439 KVPLOYFYOOGJGC-DNQXCXABSA-N 436.552 3.439 0 50 IGAA CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 11702728 VGKLKBUHVJQBSS-QFIPXVFZSA-N 431.540 3.437 0 50 IGAA COc1ccccc1OCC(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 12051470 INJMKOAKJGFIMY-MRXNPFEDSA-N 425.872 3.304 0 50 IGAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)Cn2nc(Cl)ccc2=O)C1 12298878 ORDDATHHRZLLTM-INIZCTEOSA-N 429.883 3.051 0 50 IGAA CC1=C(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@@H]2CCCO2)OCCO1 12314952 LWFCDBKSHUCNGD-QHCPKHFHSA-N 428.573 3.493 0 50 IGAA Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)n1 12594113 PWNNLCYMENITFW-QFIPXVFZSA-N 448.592 3.468 0 50 IGAA O=C(NC1CCCC1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 14998607 DMUHWCJHTTVKCW-SFHVURJKSA-N 432.524 3.153 0 50 IGAA CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br 20500487 PFOOBKIUKRCWSI-UHFFFAOYSA-N 439.375 3.354 0 50 IGAA CCCS(=O)(=O)c1ncc(CN(C)CCn2ccc3ccccc32)n1C[C@H]1CCCO1 20599698 VGRGBQUQZFLSJX-OAQYLSRUSA-N 444.601 3.333 0 50 IGAA CCN1CCN(CC(=O)N(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)CC1 22851590 OKZVOLOOZFOGIE-XMMPIXPASA-N 441.664 3.092 0 50 IGAA Cc1cccc(CN2CCN([C@H]3CCc4c(c(C(=O)N5CCCCC5)nn4C)C3)CC2)c1 23354177 KMFSCLRHBWBVOD-QFIPXVFZSA-N 435.616 3.030 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1c1ccccc1Cl 227300045 UFNGSDFRPWTFSB-KCXPTXFHSA-N 442.302 3.425 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)nn1 726533872 MWMAVMTYALMTSQ-ZWKOTPCHSA-N 426.521 3.057 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1)OCc1ccccc1 752629917 FLMAVBIDLAIESO-DHIUTWEWSA-N 447.539 3.054 0 50 IGAA CC(C)[C@H](c1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819986 XCDYILNOTXZMEI-PIPMEXSNSA-N 428.554 3.439 0 50 IGAA CCOC(=O)C(=O)N1c2ccccc2[C@@H](N(C(=O)C(=O)OCC)c2ccccc2)C[C@@H]1C 2266599 XMQNTLAVAJKJAH-JXFKEZNVSA-N 438.480 3.012 0 50 IGAA COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nn(C)c(C)c2Cl)cc1 2764136 PEODMUSKJAZPMB-UHFFFAOYSA-N 434.905 3.444 0 50 IGAA COc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O 8583655 STKPRVCNWMHYMD-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc(OC)c1 11709436 KVSZMECJSHKDLZ-QGZVFWFLSA-N 426.517 3.382 0 50 IGAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCc2cccc(C(F)(F)F)c2)nn1C 12149360 QPQXOIRINKJTMS-KRWDZBQOSA-N 434.462 3.306 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCc2c(F)cccc2F)c1=O 12155824 GKYARXSFPQMDHI-UHFFFAOYSA-N 443.450 3.228 0 50 IGAA CCOC(=O)N1CCC(NCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)CC1 12446459 LCQZLROKLVZGPX-UHFFFAOYSA-N 449.555 3.317 0 50 IGAA Cc1ccc(C(=O)N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)cn1 12596966 KUAATFDHXUSMAH-XMMPIXPASA-N 434.584 3.413 0 50 IGAA CC[C@@H](C)CN1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC 14540413 HRKSLDLEESYOPQ-LJQANCHMSA-N 431.577 3.377 0 50 IGAA COCCN(C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)C(C)C 14881022 HEFMFFKLJAVZLN-QHCPKHFHSA-N 428.554 3.219 0 50 IGAA Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)nc(C)n1 14976883 BWJYPDHLZLQYQX-UHFFFAOYSA-N 432.528 3.387 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1 16034410 XXSFYXYFPKKBAM-ZPBCLNFZSA-N 438.936 3.452 0 50 IGAA O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc2c(c1)OCCO2 16431073 HWFMKARYEAGJIW-UHFFFAOYSA-N 433.917 3.075 0 50 IGAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 16475446 XGVCLPYFKBMHFL-UHFFFAOYSA-N 430.526 3.327 0 50 IGAA COc1cc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c(OC)cc1Cl 169760208 RETIDEZPUGMTCU-UHFFFAOYSA-N 430.892 3.074 0 50 IGAA COc1ccc([C@H](CNS(=O)(=O)NCC(F)(F)F)c2c[nH]c3ccccc23)cc1 170613279 MLVNQQMAOOLSRX-INIZCTEOSA-N 427.448 3.295 0 50 IGAA C[C@H](NC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1N1CCN(C)CC1 225414135 YZAQNCAVJAWNLG-SJORKVTESA-N 448.583 3.258 0 50 IGAA COCC(=O)Nc1cc(C(=O)NC(C2CC2)C2CC2)c2c(c1)nc(-c1ccncc1)n2C 299769216 MIAJDMMJNRONCR-UHFFFAOYSA-N 433.512 3.139 0 50 IGAA Cc1ccc2nc(CNC(=O)[C@@H](C)[C@@H](C)C(=O)NCc3nc4ccc(C)cc4[nH]3)[nH]c2c1 479864194 IDFUXBGCMUTQGJ-IYBDPMFKSA-N 432.528 3.261 0 50 IGAA Cn1c(=O)c(CNC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc2ccccc21 494391574 HOAFTPJGPYSIDL-FQEVSTJZSA-N 428.496 3.370 0 50 IGAA COc1ccc(-c2nc(Cc3noc(-c4ccc(C(=O)N5CCOCC5)cc4)n3)co2)cc1 904327877 NYIVDHXARIQZSO-UHFFFAOYSA-N 446.463 3.463 0 50 IGAA CN1[C@H]2CC[C@H]1CC(OC(=O)C(OCCOCCO)(c1ccccc1)c1ccccc1)C2 1857526006 RFGBMGQLVVGJJE-GOTSBHOMSA-N 439.552 3.124 0 50 IGAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3c(-n4cnnn4)sc(C)c3C)C2)[C@@H]2CCCCN12 2356159954 XGLGZLDYHMFXMZ-RDGPPVDQSA-N 428.606 3.456 0 50 IGAA CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 2851202 GUDAGQJELCOULV-UHFFFAOYSA-N 431.558 3.238 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C[C@@H]2CCOC(C)(C)C2)CC1 11874263 OXRDTWIUUAUESS-GOSISDBHSA-N 434.577 3.120 0 50 IGAA CC(C)CN1C[C@@H](OCc2ccncc2)CN(Cc2c[nH]nc2-c2ccccc2)CC1=O 14536679 ORWIQQNTPUZGEQ-QHCPKHFHSA-N 433.556 3.357 0 50 IGAA Cc1cccn2c(CN(C)CCc3cnn(C)c3)c(C(=O)N(C)CCc3ccccc3)nc12 19535172 KXHKNLUJXTXTLU-UHFFFAOYSA-N 444.583 3.365 0 50 IGAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)n1 169778659 RXKVYWRQVYRRJP-ZDUSSCGKSA-N 436.394 3.437 0 50 IGAA O=C(NCc1cccc(N2CCCS2(=O)=O)c1)c1c(F)ccc(Br)c1F 253421649 ZUTACYFCBPILRN-UHFFFAOYSA-N 445.285 3.197 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1 409414607 NIIYAGOWCIKFTN-KSEOMHKRSA-N 440.588 3.396 0 50 IGAA Cc1onc(-c2ccc(F)cc2)c1C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 807705098 BJPZWRGZYUVEQS-AEFFLSMTSA-N 435.455 3.438 0 50 IGAA CCC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2SC)s1 1875342597 ZJEPTIHWZRFCRC-UHFFFAOYSA-N 433.508 3.160 0 50 IGAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C3CCOCC3)C[C@@H]21 2100533733 XNESNTTVUCVHDB-VQTJNVASSA-N 438.524 3.202 0 50 IGAA Cc1c(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cnc(Cl)s4)[C@H]3C2)sc2nccn12 2325876131 LHGJRJUXCZLWEL-SRVKXCTJSA-N 435.962 3.095 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccccc1F 625783 KZKOOAVZNINLFH-JKALPCAWSA-N 440.471 3.077 0 50 IGAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C(=O)N(C)C)c1C 670900 QUWAUMZCTZTBPD-VQHVLOKHSA-N 430.482 3.316 0 50 IGAA CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 846872 QPMLUAMZXQGVCQ-UHFFFAOYSA-N 426.494 3.428 0 50 IGAA Fc1ccc(Nc2nc(Oc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)c(F)c1 894835 DPLCSSMHTULJDY-UHFFFAOYSA-N 429.383 3.251 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 2064710 IYALFERYXSITEY-GOSISDBHSA-N 426.494 3.220 0 50 IGAA CC(C)[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)N1C(=O)c2ccccc2C1=O 4289943 WAABZMWPEBPFFT-XIKOKIGWSA-N 439.537 3.231 0 50 IGAA CCOC(=O)C1=C(COc2ccc(F)cc2Cl)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 8816387 LDIJWZANPYCUBL-IBGZPJMESA-N 448.834 3.458 0 50 IGAA COc1cc(CNCCc2cccnc2)ccc1OC[C@@H](O)CN1CCCCCCC1 11937115 MXNXRLUQZBZGHH-QHCPKHFHSA-N 427.589 3.428 0 50 IGAA CCN(Cc1ccccc1)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 12303639 FYDXUJZPFMIRNW-UHFFFAOYSA-N 427.570 3.374 0 50 IGAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCCCc3ccccc3)cc2)CC1 12439480 HKULQWYCHCEKRX-DEOSSOPVSA-N 440.584 3.034 0 50 IGAA COc1ccc(-c2ccnc(SCC(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n2)cc1 13642581 ZQHRMKPPZZMAKZ-SFHVURJKSA-N 444.410 3.051 0 50 IGAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(CCc1ccccc1)CC2 14749780 URMWERROTVKMNT-UHFFFAOYSA-N 435.568 3.217 0 50 IGAA O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc3ccccc3c2)C1 14750976 CKQREUMLNFLSIW-RCZVLFRGSA-N 445.611 3.456 0 50 IGAA Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1 20209118 FSMKVVGWSRPLQS-INIZCTEOSA-N 425.483 3.414 0 50 IGAA Cn1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2c1=O 21004245 ACRPGFQTNGPPRE-UHFFFAOYSA-N 438.531 3.481 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)C4(c5ccccc5)CC4)ccn3n2)cc1 169775891 YFVJRLKVXGNCAT-UHFFFAOYSA-N 442.519 3.410 0 50 IGAA Cc1cccc(-n2ccnc2SCC(=O)NCC2CCN(c3ncccn3)CC2)c1C 170610077 YRLLKYPJBJCCBC-UHFFFAOYSA-N 436.585 3.404 0 50 IGAA Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCCN21 247840418 POZCJRCEFZTKLD-YDSTWLSQSA-N 439.874 3.219 0 50 IGAA Cc1ccc(-c2nc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)no2)cc1C 263617888 QFIIWYYGKWPKMC-UHFFFAOYSA-N 427.464 3.370 0 50 IGAA COc1cccc([C@]2(CC(=O)N(C)Cc3cc(-c4ccccc4)on3)CC(=O)N(C)C2=O)c1 299767289 QNIQOFTYKVXMQO-VWLOTQADSA-N 447.491 3.025 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 463086674 JBNQAFUGSJDTDN-NJDAHSKKSA-N 446.469 3.395 0 50 IGAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676476 MUGQZKCNRCCKAR-UMBTVWGKSA-N 425.602 3.416 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(F)c1OC)C2 1857691980 JINLXBKYBAHFMC-YOSAUDMPSA-N 434.552 3.090 0 50 IGAA O=C(CCC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1)N1CCOCC1 1875258452 CQGXDPLGPMAVCB-OAQYLSRUSA-N 430.932 3.041 0 50 IGAA O=C1CCN(C[C@@H]2CC[C@H]2c2ccccc2)C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)N1 1875329093 DHDYKJVWEOUTCK-HVCNVCAESA-N 442.563 3.385 0 50 IGAA CN(C)C(=O)[C@@H](CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1 1875343734 SPAHOFVQGQLZBE-BJKOFHAPSA-N 441.531 3.372 0 50 IGAA Nc1cc(F)cc(C(=O)N2CCc3ccccc3[C@H]2CCNC(=O)c2ccnc(O)c2)c1 1875359151 WHKFMJZRCHSKRF-OAQYLSRUSA-N 434.471 3.068 0 50 IGAA COc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cnc(C(C)C)s3)[C@H](C)C2)cc1 2325827966 VIMPITRSNCFYGM-CVEARBPZSA-N 431.558 3.416 0 50 IGAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(C)cc(C)cc2=O)c(Cl)cc1Cl 2790059 NPHZMMKRGJWGET-UHFFFAOYSA-N 446.356 3.186 0 50 IGAA COc1ccc(CCNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 4614541 VDTULHIDRIVHNP-UHFFFAOYSA-N 426.513 3.003 0 50 IGAA CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1OCC 8812707 PVWPGOSVNAUUSZ-FQEVSTJZSA-N 440.540 3.200 0 50 IGAA Cc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)[nH]c1=O 11838576 AVAPZFLUUVLXCB-UHFFFAOYSA-N 447.583 3.110 0 50 IGAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)c1=O 15006534 KPLZFIIVLDEYIV-SFHVURJKSA-N 438.450 3.243 0 50 IGAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19839512 TZQDKLGXPDSRMZ-JOCHJYFZSA-N 446.551 3.068 0 50 IGAA CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65365626 GSVCCEHIJGBFGQ-LJQANCHMSA-N 448.527 3.070 0 50 IGAA O=C(NC1CCN(c2ccccn2)CC1)c1cnc2ccc(Br)cc2c1O 170594476 UOPGQDGHDSSPGH-UHFFFAOYSA-N 427.302 3.497 0 50 IGAA O=C(c1ccccc1Br)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 221644609 AIVMPJKVGKLISO-UHFFFAOYSA-N 427.302 3.343 0 50 IGAA COc1ccc([C@H](NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1OC 253403543 HGFGQTFPYTYLJS-PGRDOPGGSA-N 439.512 3.048 0 50 IGAA biogenic O=C(NCc1sc2ccccc2c1Cl)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 670447535 GNZWUPFXPZVMQZ-CQSZACIVSA-N 426.991 3.070 0 50 IGAA CSCC[C@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)n1c(O)nc2ccccc2c1=O 888088848 UPJAHDKGGAFCHJ-SCLBCKFNSA-N 437.525 3.150 0 50 IGAA Cc1nc(-c2coc3cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc3c2=O)cs1 951726837 LPNOXMYFERTUCA-INIZCTEOSA-N 430.482 3.219 0 50 IGAA O=C(N[C@@H]1C=CCN(C(=O)Cc2coc(C(F)F)n2)C1)c1cc(C(F)(F)F)cs1 1875330048 KRQCVNRZUGVIIG-SNVBAGLBSA-N 435.374 3.432 0 50 IGAA Cc1ccc(CC(=O)N[C@H](CC2CCOCC2)c2cn(C(C)(C)C(=O)O)nn2)cc1Cl 1875355117 ASFINYOUWKEQAD-GOSISDBHSA-N 448.951 3.276 0 50 IGAA COc1cccc([C@H]2CN(C(=O)c3cc(Br)c4c(c3)nc(O)n4C)CCO2)c1 2325824355 ZLKQMJPWRIBIRB-QGZVFWFLSA-N 446.301 3.264 0 50 IGAA CCOCCn1nc(COc2cccc(F)c2)nc1[C@@H]1CCCN(C2CCOCC2)C1 2356139794 YIOOTRVHFPHQNN-GOSISDBHSA-N 432.540 3.391 0 50 IGAA COc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 797229 CYEUYLPREPLYKK-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA O=C(Nc1ccc(I)cc1C(=O)NC[C@@H]1CCCO1)c1ccco1 1108504 PWIYWWUJYCPWJA-LBPRGKRZSA-N 440.237 3.045 0 50 IGAA CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)=O 3084396 XZCIAIQALWEHFQ-CXUHLZMHSA-N 441.436 3.381 0 50 IGAA COc1cc([C@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 12418736 JZLFLEYOGORZJJ-GOSISDBHSA-N 431.448 3.479 0 50 IGAA NC(=O)C1CCN(C(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)CC1 12848216 NOEBSLRHACIGLZ-HZPDHXFCSA-N 439.413 3.020 0 50 IGAA COc1ccc(CN(C)CC2CCOCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 14963138 ZCBMFLOYIAKPJE-DEOSSOPVSA-N 442.600 3.425 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 17094961 CIAQMEFPPJIRNA-UHFFFAOYSA-N 426.538 3.364 0 50 IGAA COc1cccc(CCNc2ncnc3sc(C(=O)N4CCN(C)CC4)c(C)c23)c1 20864773 HJKODGMLJUTARI-UHFFFAOYSA-N 425.558 3.051 0 50 IGAA CCNc1cc(N2CCN(C(=O)c3ccc(Oc4ccc(C)nn4)cc3)CC2)nc(C)n1 72437064 UYSZVKZXNMLTIL-UHFFFAOYSA-N 433.516 3.070 0 50 IGAA O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 170591876 WOZUDADEUBLSJO-SQJMNOBHSA-N 439.577 3.433 0 50 IGAA CC(=O)N[C@@](C)(C(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 225477165 XGNGGESYVQMALG-VOIUYBSRSA-N 438.549 3.472 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 239174011 PCOVMCMQBLVGSA-HQKDKDJQSA-N 441.483 3.133 0 50 IGAA CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3Cl)C2)ccn1 328591788 JMQKNDGCNXYCCN-LBPRGKRZSA-N 442.825 3.192 0 50 IGAA O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)Nc1nnc(C2CCOCC2)s1 1476680505 LBWGZVOQECJVKS-LBPRGKRZSA-N 444.479 3.424 0 50 IGAA Cn1nc(C(F)(F)F)c(I)c1CNc1ncnc2scnc12 1875321053 SEPPIPSFJIGEBS-UHFFFAOYSA-N 440.192 3.055 0 50 IGAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 11342809 BKXYWUKJTMSJEH-HNNXBMFYSA-N 438.933 3.075 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NCCCn3cccn3)CCC(=O)N2)c2ccccc12 12167030 KRGKLUKWCNSMDN-RUZDIDTESA-N 434.540 3.223 0 50 IGAA COC(=O)c1ccccc1-n1ncc(NCc2ccc3c(c2)OCCCO3)c(Cl)c1=O 170620646 PEZWJXXLLNDIDV-UHFFFAOYSA-N 441.871 3.446 0 50 IGAA CCSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 170621907 FCRPAYVNXXXNRJ-CMCWBKRRSA-N 435.549 3.063 0 50 IGAA O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nnc[nH]1 253403258 GZXXOSKVAKUQKS-FQEVSTJZSA-N 430.468 3.119 0 50 IGAA biogenic COc1ccc(O)c(-c2ccc3c(O)nc(=O)n(CCc4ccc(OC)c(OC)c4)c3n2)c1 1857526689 SRNFCUKLUWGEIW-UHFFFAOYSA-N 449.463 3.138 0 50 IGAA O=C(NC[C@@H]1CC2(CCOCC2)CN1C(=O)c1cnc2ccccc2c1)c1ccc(F)nc1 1875389591 ULVJVUFWOWLAJH-FQEVSTJZSA-N 448.498 3.210 0 50 IGAA Cc1c(C(=O)N[C@H]2C[C@@H]3CN(C(=O)c4scnc4Cl)C[C@@H]3C2)sc2nccn12 2325876083 KIYCCZYTPVWSBL-GDNZZTSVSA-N 435.962 3.095 0 50 IGAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 679130 NMPLJXWOPNSGFK-UHFFFAOYSA-N 427.267 3.212 0 50 IGAA COc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(OC)c1 1138409 NIMLKPDNKZPFEK-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA COC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 1471189 WUFHBFSUMRYIEP-UHFFFAOYSA-N 428.242 3.442 0 50 IGAA Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)O)ccc2N2CCOCC2)cc1Cl 6432572 MVVLIWNZEHPOMB-SREVYHEPSA-N 443.887 3.317 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@H](C)c2nnc(C)[nH]2)c1 11817153 YSLDNOYHYKRLSZ-OAHLLOKOSA-N 427.549 3.399 0 50 IGAA COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(CCc2ccccc2)C1 14536994 GRNBSWUXDHPEBJ-LEWJYISDSA-N 441.547 3.098 0 50 IGAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)c3cc(C)oc3C)C2)c1 14747216 PMDSGASDSVCREZ-OAQYLSRUSA-N 428.529 3.431 0 50 IGAA CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1I 16266253 BEWJAKMBPJQECN-XNTDXEJSSA-N 440.668 3.462 0 50 IGAA COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 20541233 AVFBPSFLDHAOFE-XMMPIXPASA-N 445.648 3.227 0 50 IGAA CC[C@@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)n1nnc(-c2ccc(Cl)cc2)n1 465098629 HYLJLZNJLBCNKH-SFHVURJKSA-N 448.918 3.246 0 50 IGAA Cc1ccc(N2CCC[C@@H](NC(=O)c3cnn(CCN(C)C)c3-c3ccccc3)C2=O)cc1 764571529 DHIYVBBKMRQMBY-HSZRJFAPSA-N 445.567 3.346 0 50 IGAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2ccccc2OC(F)(F)C(F)F)N1 1506412466 DRNJCTINLLSUSE-AWEZNQCLSA-N 425.382 3.239 0 50 IGAA O=C1CCc2cccc(c2)Oc2cccc3c2OC[C@]2(CN1)CN(C(=O)c1cc[nH]c1)C[C@H]32 1857724922 SDQCSFGWUYOXKI-RLWLMLJZSA-N 443.503 3.488 0 50 IGAA O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)NC[C@H](CO)Cc1c(F)cccc1Cl 1875262109 ZVDSFWOTQAXHIY-SPLOXXLWSA-N 448.922 3.145 0 50 IGAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4cnn(C)c4C)c3n2)cc1 1003164 SZQHBHQDIROWCA-UHFFFAOYSA-N 426.427 3.314 0 50 IGAA O=C(NCc1cccnc1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 1071161 TWUNGOAWTMMSBI-UHFFFAOYSA-N 441.369 3.469 0 50 IGAA NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)sc2c1CCCC2 1787931 OOPAEUHNZCDAIN-GDNBJRDFSA-N 441.534 3.401 0 50 IGAA O=C1N(c2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 2873645 YKCOBHAFBJCQHI-HOTGVXAUSA-N 425.279 3.200 0 50 IGAA Cn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 4143690 GIDRFWCVEXAECG-UHFFFAOYSA-N 445.585 3.166 0 50 IGAA C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(Cl)cc1 8895990 AYWCGUONKJDNTG-ZDUSSCGKSA-N 449.381 3.077 0 50 IGAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)CC(=O)N(C)C1=O 12451598 QFONGCZUIQFAPF-BCHFMIIMSA-N 434.536 3.426 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 14962741 HGMCZGPNIZWBRL-GOSISDBHSA-N 432.528 3.199 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 14995173 ASTCAJVHGLJQCC-HXUWFJFHSA-N 430.556 3.293 0 50 IGAA COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 40935311 ROFMCPHQNWGXGE-SFHVURJKSA-N 436.512 3.216 0 50 IGAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C=C[C@H]2C1 101227505 OLEKGDMNLXAXMY-OYUDYFSCSA-N 429.881 3.419 0 50 IGAA O=C(NC[C@H]1Cc2ccccc21)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 222247796 BWBDJDYIJNZFIW-CTNGQTDRSA-N 438.574 3.320 0 50 IGAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 242305009 YUAAPMQCVYTONT-HPBDAGMYSA-N 426.542 3.137 0 50 IGAA Cc1ccc(S(=O)(=O)N(C(=O)CCOC2CCOCC2)c2ccc(O)cc2)s1 753393607 ALUDHDQUCDKLKB-UHFFFAOYSA-N 425.528 3.070 0 50 IGAA O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCN(Cc3ccncc3)CC2)CC1 1506401844 MCFZQZVLYMTXJX-UHFFFAOYSA-N 440.975 3.322 0 50 IGAA CCOc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccccc1 2142314 RNWZMXALTKEFMU-UHFFFAOYSA-N 432.235 3.270 0 50 IGAA O=C([C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1)N1CCCCCC1 11791451 YDDLPWWATRVQBQ-FQEVSTJZSA-N 446.551 3.497 0 50 IGAA C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 11871157 ZIDZETYQLSMMGV-ZDUSSCGKSA-N 447.436 3.384 0 50 IGAA CN(Cc1noc(-c2ccccc2)n1)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11996996 JKWNOBRYEYUFGA-IBGZPJMESA-N 436.487 3.315 0 50 IGAA O=C(Nc1ccnn1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1)[C@H]1CCOC1 12210638 KZQRVMMNPOLWEW-NRFANRHFSA-N 437.588 3.160 0 50 IGAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 13676854 NELBXYWNBZNDBM-UHFFFAOYSA-N 427.482 3.142 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2F)C4)cn1 19745526 WHLKVCMUUHFLGB-OAHLLOKOSA-N 441.507 3.165 0 50 IGAA CCCCc1ncc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)[nH]1 53654456 QDIJGLGCGHQZDT-UHFFFAOYSA-N 444.576 3.181 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)CC1 55183269 GRQIVOOKXVBIPT-NRFANRHFSA-N 439.604 3.054 0 50 IGAA Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65364149 GXZXRZMPMXVBOR-UHFFFAOYSA-N 431.525 3.057 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)cc1OC 101728326 FOJIMBWGLBGELE-ABSDTBQOSA-N 444.553 3.204 0 50 IGAA CCN1CCC[C@H]1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 263587286 FEXUYIURTHKPTA-ICSRJNTNSA-N 428.577 3.215 0 50 IGAA O=C(N[C@H]1C[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc34)C[C@@H]2C1)c1cc[nH]n1 1875360345 GDPXECSPSGXRFF-PIIMJCKOSA-N 425.496 3.060 0 50 IGAA C[C@H](CC(=O)Nc1ccc2c[nH]nc2c1)NS(=O)(=O)c1ccc(Br)s1 2325861578 UIEGFOJNHWHTKR-SECBINFHSA-N 443.348 3.083 0 50 IGAA CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c(CO)cc2OC)cc1 1126541 HCNJWEPQYHPDSD-UHFFFAOYSA-N 438.274 3.144 0 50 IGAA COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc(OC)c1 8600897 QRLUTRSBPYHABD-IBGZPJMESA-N 446.550 3.294 0 50 IGAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@@H](O)CN1CCCCCCC1 11839295 XKTGLPPVJVYDRD-FQEVSTJZSA-N 432.565 3.024 0 50 IGAA COc1ccccc1CCNC1CCN(c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)CC1 11912739 LBMAFJKUOCIRBZ-XMMPIXPASA-N 437.584 3.093 0 50 IGAA Cc1ccccc1-c1cccc(CN2CCC(n3cc(C(=O)NCCCO)nn3)CC2)c1 12150510 GKIUELHDMBFDHV-UHFFFAOYSA-N 433.556 3.203 0 50 IGAA O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)C[C@@H](NCCCn1ccnc1)CC3 12241080 AAMLLOHGBIMENF-SFHVURJKSA-N 437.544 3.379 0 50 IGAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCCc2cccnc2)C[C@@H](C)O1 12307212 NSGIFELWUGIAHX-CALCHBBNSA-N 441.963 3.355 0 50 IGAA COc1cc([C@@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 12418739 JZLFLEYOGORZJJ-SFHVURJKSA-N 431.448 3.479 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc4cc(OCC)ccc4n3)C2)CC1 20387643 JAXBGFKKORKKPZ-NRFANRHFSA-N 426.561 3.372 0 50 IGAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c(OC)c1OC 55060475 UGUSTDIJCNGEDP-FQEVSTJZSA-N 439.556 3.139 0 50 IGAA COc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 100567241 MBHKNMHXGRHASY-MRXNPFEDSA-N 449.326 3.462 0 50 IGAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Br)cc1 138557709 AIYWZKPBBLQASD-RCCFBDPRSA-N 430.277 3.124 0 50 IGAA CC(=O)N(Cc1csc([C@@H]2CCCO2)n1)S(=O)(=O)c1ccc(Br)cc1 170600440 IJEJUPBEGYYIBI-HNNXBMFYSA-N 445.360 3.495 0 50 IGAA COc1ccc2c(C)c(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(=O)oc2c1OC 229703315 BVARYDKLWCRADI-APWZRJJASA-N 428.529 3.042 0 50 IGAA CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(F)cc1F 238899388 GDCPOSNVMOWPQH-GOSISDBHSA-N 429.423 3.424 0 50 IGAA C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 252511504 HJXNYLHTTCDXPX-YSIASYRMSA-N 433.549 3.012 0 50 IGAA Cc1nc2sc([C@@H](c3ccc(C)o3)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)n2n1 252538105 MRFLHXDCJBJUFU-YZVOILCLSA-N 437.525 3.077 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 253387491 XZBJWQVUKIIGEX-HZEGPAAWSA-N 436.533 3.243 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 334160582 HXEIHKHFFOBEJW-CVDCTZTESA-N 426.561 3.438 0 50 IGAA O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccsc2Cl)cc1 1875317390 XWHDTHMOIAEBFL-UHFFFAOYSA-N 435.961 3.460 0 50 IGAA CCn1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)cn1 12225185 LANKBWLYQXSCRZ-HXUWFJFHSA-N 430.556 3.382 0 50 IGAA CC[C@H](COC)NC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC 12456261 BRBDUZMRNRHHBN-OAHLLOKOSA-N 429.546 3.309 0 50 IGAA CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)cc1 13810499 NMFYWAOXJVQVGT-ZDLGFXPLSA-N 433.455 3.211 0 50 IGAA CN(C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(CCc2ccccc2)C1 14543594 DTLSCONAGKSLPQ-XZOQPEGZSA-N 441.591 3.453 0 50 IGAA O=C(COc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1)N1CCCC1 16345789 SPMXJWDXTVRVQR-UHFFFAOYSA-N 427.545 3.325 0 50 IGAA Cc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc(N2CCOCC2)n1 67620562 RODDBXLIYVKPEP-UHFFFAOYSA-N 432.528 3.129 0 50 IGAA O=C(CC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263616763 KKQASXDMMJJNHD-HSZRJFAPSA-N 441.551 3.350 0 50 IGAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)CC1 1875261475 ALCVMQZDEXNCCH-HYBUGGRVSA-N 437.565 3.351 0 50 IGAA O=C(NC[C@H]1CCCO1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 907939 GQWHMNWCKWWTAX-RDTXWAMCSA-N 442.537 3.314 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)c(Cl)c2)cc1 979122 XMPLISVQQJXCPG-SFHVURJKSA-N 436.961 3.447 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 1168141 PBLSSYRAYCFTDQ-UHFFFAOYSA-N 426.494 3.421 0 50 IGAA COC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 2858231 KTUHLBQVVHAFII-UHFFFAOYSA-N 442.468 3.446 0 50 IGAA CCOC(=O)c1c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)sc2c1CCCC2 9850081 PPAGGHYRRPCLLF-UHFFFAOYSA-N 425.510 3.232 0 50 IGAA C[C@@H](NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)c1nccs1 12021343 UBQBKWOGFPQACX-GFCCVEGCSA-N 443.978 3.090 0 50 IGAA CC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)C1 12100098 TVLFXEZAVHZREF-CUNXSJBXSA-N 446.547 3.410 0 50 IGAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CN4C(=O)CSC4=O)C3)C2)cc1 14979181 FSAWYRRHHMCBDH-QHCPKHFHSA-N 429.586 3.320 0 50 IGAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)c1 19640815 ARNPSQGRHKSSSQ-OAHLLOKOSA-N 444.513 3.465 0 50 IGAA Nc1nnc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 19840618 UDCRERBYRFMDAU-UHFFFAOYSA-N 425.583 3.146 0 50 IGAA CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCN1CCOCC1 19875047 DNGJPUZKCSEDJC-UHFFFAOYSA-N 442.585 3.142 0 50 IGAA COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2cc(C)ccc2C)cc1OC 20602591 VXULOXHERWQVNA-UHFFFAOYSA-N 443.569 3.488 0 50 IGAA CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 20776761 NACKFEXJLPMQNU-LJQANCHMSA-N 433.556 3.155 0 50 IGAA C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O 22010574 XQYASZNUFDVMFH-CQSZACIVSA-N 434.899 3.081 0 50 IGAA in-vivo O=C(/C=C/C(=O)OCC(F)(F)C(F)F)Nc1ccc(I)cc1 22590642 CGGKQGSRJGZTEY-AATRIKPKSA-N 431.123 3.230 0 50 IGAA COc1ccc(I)nc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 38534074 DWIGUBVOWDPBEV-LLVKDONJSA-N 434.274 3.331 0 50 IGAA in-vitro COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1OC 65365416 GXGZQIBQOZQYOC-MRXNPFEDSA-N 434.500 3.062 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)cc1 101877666 QLKXHLLJWCBSLE-ZECSIRQKSA-N 445.471 3.437 0 50 IGAA COc1ccccc1OCCNC(=O)C1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 169772586 FLQKTLSIIPNUFQ-UHFFFAOYSA-N 438.450 3.224 0 50 IGAA CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239403050 RLNDFWXYRVKAAN-KZNAEPCWSA-N 432.904 3.188 0 50 IGAA aggregator CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc(O)cc3)CC2)cc1 245257226 XHKHPTWXBONPAV-QAQDUYKDSA-N 445.541 3.074 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O 263585072 DVSCLZPQTFJALQ-QPTUXGOLSA-N 441.616 3.407 0 50 IGAA biogenic Cc1cc(N2CC[C@@H](NC(=O)c3cc(-c4cccnc4)on3)C2=O)ccc1Br 462904214 FDIJBSJSNVMYHE-MRXNPFEDSA-N 441.285 3.343 0 50 IGAA C=CC(=O)N1CCC(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1 1875371686 IYUYPRDECGQWIK-FQEVSTJZSA-N 443.544 3.358 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 8964428 MPQOVCRIVQAIMP-UHFFFAOYSA-N 430.570 3.233 0 50 IGAA COc1ccc([C@@]2(CC(=O)NCc3nc(C)cs3)CC(=O)N(C3CCCC3)C2=O)cc1 12097539 RIVQSKOKYNQVHD-HSZRJFAPSA-N 441.553 3.106 0 50 IGAA Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 12127753 UDFJFMFZDMNWPP-AWEZNQCLSA-N 436.603 3.251 0 50 IGAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cncs2)CC1)c1ccccc1 12579352 XDJWPCCUSKWBOM-LJQANCHMSA-N 425.514 3.143 0 50 IGAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)c2cc(C(C)C)nn2C)CC1=O 14535574 AWTJFUAFGYJECR-IBGZPJMESA-N 444.551 3.208 0 50 IGAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14744844 BURWYLBLNUZARP-UHFFFAOYSA-N 437.540 3.228 0 50 IGAA Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCOCC2)c2cccc3ccccc23)cc1 20170847 JVZANHZCAVJCTR-NRFANRHFSA-N 440.565 3.037 0 50 IGAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CC=C(c3ccccc3)CC2)cc1 20202092 KEJQWNVOKRDIET-DEOSSOPVSA-N 433.552 3.092 0 50 IGAA CC[C@@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 170601374 IBOYQIPUYYYNPI-GOSISDBHSA-N 435.373 3.059 0 50 IGAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1NCc1cccc(-c2nnc[nH]2)c1 252511389 GHCKXYCOYPZDMC-XUVXKRRUSA-N 427.549 3.366 0 50 IGAA Cn1cnc(S(=O)(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)c1 328593902 XQNHYTOCSNIGBN-UHFFFAOYSA-N 446.960 3.163 0 50 IGAA Cc1noc(C[C@@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c2ccccc2)n1 429529510 ROGZTSJAHRWQDV-MRXNPFEDSA-N 427.530 3.462 0 50 IGAA COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccc(C)cc1)S(C)(=O)=O 2985340 CTFUFXJPBACJJU-UHFFFAOYSA-N 442.990 3.332 0 50 IGAA Cc1nc2cc(C(=O)N3CCC(N4CCC(C(=O)NC5CC5)CC4)CC3)ccc2s1 11815328 VAXMNWDVARKYGK-UHFFFAOYSA-N 426.586 3.200 0 50 IGAA C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 12217669 RHNYYUFHMNEFNN-AZUAARDMSA-N 446.551 3.495 0 50 IGAA COCCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@@H](C)C1 12338176 PHXAEDIYTZJWBE-GOSISDBHSA-N 440.540 3.456 0 50 IGAA Cc1cc(C)n(Cc2cccc(C(=O)NCCc3nnc(SCC(C)C)n3C)c2)n1 14997204 YQZBIVAAKNMPFL-UHFFFAOYSA-N 426.590 3.397 0 50 IGAA Cc1cc(=O)oc2cc(NC(=S)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc12 51530811 RCLRMJJTKVJTNP-UHFFFAOYSA-N 437.521 3.345 0 50 IGAA O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CC[C@H](Nc2ccccc2)C1 110554830 YNTSNKRIABTJHU-KRWDZBQOSA-N 441.329 3.262 0 50 IGAA COc1cc(OC)c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1Cl 169760207 WAIPIPKFUKXYDX-UHFFFAOYSA-N 430.892 3.074 0 50 IGAA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2nc3ccccc3n2C)n1 218339900 UZKOTMGJLPLWMX-NRFANRHFSA-N 428.540 3.362 0 50 IGAA CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253429116 SGJZEQWBGCVAEK-KRWDZBQOSA-N 443.352 3.042 0 50 IGAA CC(=O)N[C@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1F 303951812 TZEHKNWYILHWCV-HXUWFJFHSA-N 442.466 3.039 0 50 IGAA Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@@H]3N(C)CCCC3(C)C)cs2)c1 468484312 RKWHHORDFIGBML-SFHVURJKSA-N 430.574 3.189 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@H](Cn3ccnc3)C2)ccc1F 1704303667 NIIYYEUMZSFZEU-OAHLLOKOSA-N 427.480 3.304 0 50 IGAA Cc1nc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)nn1-c1c(Cl)cccc1Cl 1775988706 BIEDTFGUCXNUGQ-WMLDXEAASA-N 438.359 3.241 0 50 IGAA O=C(NC[C@H]1CCCC2(CCC2)O1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301657 OMMYRYSETUVFPU-IAGOWNOFSA-N 441.450 3.482 0 50 IGAA C[C@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1ccc(N2CCCS2(=O)=O)cc1 1875334544 TYRWJMPSERTRLR-KRWDZBQOSA-N 431.558 3.296 0 50 IGAA Brc1ccccc1[C@@H]1CN(c2nnc([C@@H]3COCCO3)n2CC2CC2)CCO1 2325839849 GZDXEKURNNJHKG-ROUUACIJSA-N 449.349 3.116 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2)cc1OC 839918 SEUTUSVHLAHJLQ-UHFFFAOYSA-N 441.509 3.241 0 50 IGAA O=C1CSC(=O)N1CCN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 9335123 VMMLUIFPOYAVTB-XFFZJAGNSA-N 427.301 3.181 0 50 IGAA O=C(NCc1ccccc1Cl)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11772455 FSHSCIOEMBBPJL-UHFFFAOYSA-N 438.841 3.329 0 50 IGAA COC(=O)c1cc(I)cn(Cc2ccc(C(F)(F)F)cc2)c1=O 12336666 DGQGGDYRFXMEHB-UHFFFAOYSA-N 437.155 3.307 0 50 IGAA Cc1cc(-c2cc3c(n(Cc4cccnc4)c2=O)CCN(C(=O)c2cn[nH]c2)C3)ccc1F 19732211 HKVPRVONVAFDKX-UHFFFAOYSA-N 443.482 3.328 0 50 IGAA O[C@H](COc1ccccc1CNCCOc1cccnc1)CN1CCc2ccccc2C1 19774307 ABGUXXUAUFJJEN-DEOSSOPVSA-N 433.552 3.048 0 50 IGAA COc1cccc(CC(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)[C@@H](OC)c3ccccc3)C2)c1 43641336 FERYSFQOADKJLH-RSEQLOHWSA-N 436.552 3.465 0 50 IGAA O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 169772795 UTRDNOPSLXRYRQ-INIZCTEOSA-N 428.496 3.198 0 50 IGAA O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779768 IYBLVACYQXHNDJ-UHFFFAOYSA-N 446.429 3.408 0 50 IGAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(Cl)c1 239174458 QAZYDBCLYXSKPB-LRXBLYIISA-N 438.911 3.411 0 50 IGAA CC(C)C[C@@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C 248048774 QIDPTAVWORZQEL-GOSISDBHSA-N 433.512 3.248 0 50 IGAA O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nnc[nH]1 253403262 GZXXOSKVAKUQKS-HXUWFJFHSA-N 430.468 3.119 0 50 IGAA biogenic CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)c2C1 465371985 OEXHJNKTCNJCJJ-MOZQLWJVSA-N 448.567 3.494 0 50 IGAA O=C(OCC1(COC(=O)c2cccc(-c3nc[nH]n3)c2)CC1)c1cccc(-c2nc[nH]n2)c1 793178369 NOFDPEUTQIHHPJ-UHFFFAOYSA-N 444.451 3.051 0 50 IGAA Cc1ccc(F)c(-c2cc(NC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)n[nH]2)c1 1465064635 OIPNEYQEDBSCQP-ZDUSSCGKSA-N 432.481 3.033 0 50 IGAA CCc1ccc([C@@H](NC(=O)C(=O)N(C)[C@H]2CS(=O)(=O)c3ccccc32)C(C)C)cc1 1875253417 JGVSQKPKXAEDEM-FPOVZHCZSA-N 428.554 3.049 0 50 IGAA O=C1CCCN1c1cccc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)c1 2356152413 HYJUKEAOSUBCGC-VWLOTQADSA-N 432.524 3.006 0 50 IGAA COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 880092 XQZZDEXKERAXPK-UHFFFAOYSA-N 436.533 3.475 0 50 IGAA Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c1C 2871688 UYBHUOMLNROMFY-UHFFFAOYSA-N 449.960 3.095 0 50 IGAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 12450544 RCJOUXKXCPKVDO-FQEVSTJZSA-N 426.513 3.161 0 50 IGAA COCCn1c(CN2CCCC[C@@H]2CCCO)cnc1S(=O)(=O)C1CCCCCC1 15068633 VWCRVHSCJPKLSV-LJQANCHMSA-N 441.638 3.153 0 50 IGAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 15077483 GLUNPFTUMQRGQW-ZNWBTVJYSA-N 445.554 3.330 0 50 IGAA COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 17098843 YDSYHZIGQNPHIS-MNOVXSKESA-N 434.495 3.454 0 50 IGAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cn(Cc2ccc(F)cc2Cl)nn1 23129051 CYCPXICPAKYMRM-KRWDZBQOSA-N 427.911 3.338 0 50 IGAA O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCC[C@H](c2nnc3n2CCCCC3)C1 115619894 VRFMWZBYDIDMFL-KRWDZBQOSA-N 448.527 3.186 0 50 IGAA CCOC(=O)c1sc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)nc1-c1ccccc1 170600410 FBYOTDPLOFWVGH-AWEZNQCLSA-N 434.539 3.140 0 50 IGAA CC(=O)c1c[nH]c(C(=O)NC[C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2ccc(Cl)cc2)c1 225669867 WJDCBJGMRDQXGQ-HXUWFJFHSA-N 440.887 3.303 0 50 IGAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 230131382 QAHBKTPXQZXEEJ-GOEBONIOSA-N 431.895 3.236 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 334159676 IXLFYPLDMWWGNU-DRMXPCRNSA-N 427.545 3.169 0 50 IGAA COc1ccc2[nH]c(C(=O)N3CCO[C@H](CO)[C@H]3c3ccc(OC)c(OC)c3)c(C)c2c1 1529155600 VQNIXEFZVNFBED-FYYLOGMGSA-N 440.496 3.077 0 50 IGAA O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(C(=O)NCc2cccc(Cl)c2Cl)C1 1857690029 SITMLFLRVQFXDE-AUUYWEPGSA-N 425.337 3.460 0 50 IGAA C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1875320891 YXIBWVYWHWCMOM-RRQGHBQHSA-N 447.318 3.404 0 50 IGAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)ccc1O 641531 PPHHNZWJDHKSDP-HXUWFJFHSA-N 443.525 3.240 0 50 IGAA COc1ccc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1OC 9933525 BPOJRVXDQLCHPM-UHFFFAOYSA-N 434.492 3.220 0 50 IGAA CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(C(=O)c1snnc1C)CC2 12034387 NRIHRRKGKGJGLG-QUCCMNQESA-N 428.558 3.007 0 50 IGAA CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O 12328532 GRNUUWVWXUKVDR-UHFFFAOYSA-N 432.609 3.009 0 50 IGAA CCn1cc(CN2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)c(C)n1 14746751 UKRONSLBULHGQC-XMMPIXPASA-N 433.556 3.036 0 50 IGAA CC(C)(C)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19809742 FOVYWCLWYCRZRK-HXUWFJFHSA-N 426.557 3.270 0 50 IGAA O=C(c1cccs1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 19813127 XQBVMIXADJAGMR-OAQYLSRUSA-N 430.570 3.281 0 50 IGAA O=C(NCc1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2)c1cccc(F)c1 19840322 YAYWYNLLGNUCFG-UYRXBGFRSA-N 439.922 3.485 0 50 IGAA Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F 43101772 GFPPXZDRVCSVNR-UHFFFAOYSA-N 426.416 3.442 0 50 IGAA investigational Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67612526 QVWAUSLCUIXDSZ-UHFFFAOYSA-N 431.525 3.057 0 50 IGAA Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 170631060 OFACAPJSTXBFJN-MAUKXSAKSA-N 432.590 3.400 0 50 IGAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(Cl)c1 239174456 QAZYDBCLYXSKPB-JCCSZWGMSA-N 438.911 3.411 0 50 IGAA CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(C)C)C(=O)O 252347100 VNXKVADPEPIJHY-YTQUADARSA-N 446.548 3.469 0 50 IGAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 437012961 HZEWBIVCUWTITL-UHFFFAOYSA-N 447.442 3.332 0 50 IGAA CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ncc(-c2ccc(Br)cc2)o1 441179013 PALIBIXJOSNXNK-HNNXBMFYSA-N 428.352 3.008 0 50 IGAA Cc1sc2ncn(NC(=S)Nc3ccc(C(N)=O)cc3)c(=O)c2c1-c1ccccc1 726437854 IWTATHDCJMCLFA-UHFFFAOYSA-N 435.534 3.473 0 50 IGAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2[C@H]1Cc1ccccc1 762393165 VSTQBKVHCKLWGM-FYYLOGMGSA-N 433.533 3.085 0 50 IGAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 888088460 AWRRHJCNLNEOAD-QGZVFWFLSA-N 431.477 3.371 0 50 IGAA C[C@@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)c1ccc(S(C)(=O)=O)cc1 1302597228 UEQSZLRAXGHDGB-NSHDSACASA-N 436.331 3.262 0 50 IGAA O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)N1CCCN(c2cncc(F)c2)CC1 1875262955 XRVZDEGMRSMKLQ-UHFFFAOYSA-N 441.532 3.091 0 50 IGAA CC(C)(C)c1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 1124635 DJMZEXLWKNZQDI-INIZCTEOSA-N 442.375 3.465 0 50 IGAA Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1cnccn1 2374734 YJYFKJHFIIJZMU-UHFFFAOYSA-N 441.261 3.044 0 50 IGAA COC(=O)C1(C(=O)OC)[C@@H](c2ccc(OC)cc2)CC(=O)C[C@@H]1c1ccc(OC)cc1 3125005 RKFWOUJAFUYCGV-NHCUHLMSSA-N 426.465 3.267 0 50 IGAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 4458573 WKDZQCLQANFURB-UHFFFAOYSA-N 431.602 3.313 0 50 IGAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(Cl)cc2)CC3)c1 12027837 PSZJBPXMPJLWSD-INIZCTEOSA-N 439.947 3.489 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)C[C@@H]2CCCCO2)c1 12224348 SJNTUXBMTOHCOC-FQEVSTJZSA-N 430.545 3.116 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 12283718 JHBSBNRVBMTBIR-YNLHYXARSA-N 437.588 3.090 0 50 IGAA CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)c1ccccc1 13576739 LCBKVJMDADCWJU-GOTSBHOMSA-N 437.517 3.201 0 50 IGAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(Cc3cccc(O)c3)CC2=O)cc1 14746006 PYCNMSZQZWLMTL-VWLOTQADSA-N 447.535 3.226 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCN2CCCCC2=O)C1 15073429 CABVPVTUKMDCFG-HSZRJFAPSA-N 436.499 3.082 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCOc3cc(C)ccc3C)CC2)cc1 35900099 BOGMGTSKBQBHRL-UHFFFAOYSA-N 445.585 3.037 0 50 IGAA CSCC[C@@H](NC(=O)Cn1ccc2c(NC(C)=O)cccc21)c1nnc2ccccn12 223233589 GBXKHLCWUZHKMQ-GOSISDBHSA-N 436.541 3.253 0 50 IGAA COC(=O)CCN(C(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C)c1cccc(F)c1 225646405 OLGLFNYWTLWWOK-OAQYLSRUSA-N 440.475 3.437 0 50 IGAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCCN21 245242283 VBOJFGGJQAXEHP-FYBXHKAZSA-N 429.520 3.297 0 50 IGAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1OC 245391997 WLLPRYOIDRRSSP-FUHIMQAGSA-N 438.402 3.198 0 50 IGAA COc1ccc(C(=O)C[C@@H](Cc2cc(OC)c(OC)c(OC)c2OC)OC(C)=O)cc1 253470624 RPEPEIFMCYJYPX-GOSISDBHSA-N 432.469 3.477 0 50 IGAA O=C1c2ccccc2[C@@H](N2CCCC2)N1CCN1C(=O)c2ccccc2[C@H]1N1CCCC1 334163416 RGSFWTOSLCMGQX-ZEQRLZLVSA-N 430.552 3.487 0 50 IGAA O=C(O)CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1 917928294 GRSSACDUAWGMBH-UHFFFAOYSA-N 430.526 3.025 0 50 IGAA Cc1nc(C(=O)N2C[C@@H]3CN(C(=O)Nc4c(C)cccc4Cl)C[C@@]3(CO)C2)cs1 1772811119 QAZHNUQYOOPABF-JLTOFOAXSA-N 434.949 3.012 0 50 IGAA COc1cccc([C@H](NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)c2cccnc2)c1 1875258179 WOFJANCZKCZGEN-HBMCJLEFSA-N 435.505 3.000 0 50 IGAA Cc1cnn(C2CCN(C(=O)C(=O)N[C@H](COc3ccccc3F)C(C)(C)C)CC2)c1 2325726882 YLPYPSRSLHPHMW-HXUWFJFHSA-N 430.524 3.104 0 50 IGAA CCc1nc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)sc1C(C)(C)C 2325819957 WFPNUKQVMVKSCG-UHFFFAOYSA-N 446.548 3.065 0 50 IGAA O=C(N[C@@H]1CCCc2cnccc21)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 2325876271 OXXAYEINFAOTNM-YADHBBJMSA-N 439.512 3.434 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1)N1CCN(c2ccccn2)CC1 11814264 YCLQYYWQNRZOLL-FQEVSTJZSA-N 438.547 3.131 0 50 IGAA O[C@@H]1CN(Cc2ccccc2OC2CCCC2)CC[C@H]1N1CCN(c2ccccn2)CC1 12718734 YYDBYCAMTACRCQ-DNQXCXABSA-N 436.600 3.160 0 50 IGAA CC(C)CC[C@@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(Cc2ccccn2)C1=O 12726638 AUUDSBQGULQXNI-DEOSSOPVSA-N 438.528 3.454 0 50 IGAA O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CCC(Cc2ccccc2F)CC1 14974880 NFKLRGZQFRLCIZ-LJQANCHMSA-N 436.487 3.352 0 50 IGAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)C[C@@H]2C(=O)NCCc1ccccn1 14980332 VEQKANZWEMTNNE-DENIHFKCSA-N 435.568 3.450 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(Cc3cccc4nonc34)CC2)c(Cl)c1 15069941 CWIYCDFQNJGEKP-UHFFFAOYSA-N 444.919 3.296 0 50 IGAA Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)c1 169749816 UASUGBCFELGVQN-UHFFFAOYSA-N 429.524 3.276 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)NCc1ccccc1Cl 169757818 KKGNAHPXYCPSMK-IBGZPJMESA-N 446.290 3.187 0 50 IGAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 225769731 BWYKSWIFOBPEPC-KNCCTNLNSA-N 432.542 3.070 0 50 IGAA O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 242047963 VROVITOSNQCWAY-ZDUSSCGKSA-N 443.356 3.226 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)sc2C)cc1 483915048 GYKZYRCPLRDOOF-FQEVSTJZSA-N 427.570 3.111 0 50 IGAA CCc1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857680736 NNLJVXKOEHWWDU-QHCPKHFHSA-N 427.520 3.054 0 50 IGAA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)NC[C@H]1CCCO1 630254 KCTQBGMRQNIUPS-OAHLLOKOSA-N 441.578 3.323 0 50 IGAA COc1ccc(Cl)cc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O 2812851 PMSRZGYVOCFPRB-UHFFFAOYSA-N 435.011 3.297 0 50 IGAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 11662703 WFURYAAQCULXPC-FQEVSTJZSA-N 427.589 3.221 0 50 IGAA Cc1c(C(=O)N(CCO)Cc2ccccc2)sc2ncnc(NC[C@@H]3CCCO3)c12 14878577 JNWXTRSSFJGPRD-KRWDZBQOSA-N 426.542 3.225 0 50 IGAA C[C@H]1CN(C(=O)CCn2c(S)nnc2-c2cccs2)C[C@@H]1NC(=O)OC(C)(C)C 225500320 CFGHSBKHRVOWGI-STQMWFEESA-N 437.591 3.057 0 50 IGAA CCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 230513198 MXSAQQHOEXKUDD-UHFFFAOYSA-N 432.542 3.019 0 50 IGAA Cc1c(Br)ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 239287458 CVRNLTZOADPACO-UUBMZHIOSA-N 429.314 3.058 0 50 IGAA CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 252675008 SPJNGIVXGIAFSN-QZNHQXDQSA-N 442.581 3.441 0 50 IGAA COC(=O)c1ccc(C(=O)N(CCn2ccnc2)c2ccc(Br)cn2)cc1 328589883 KMTHJOTUJREOCN-UHFFFAOYSA-N 429.274 3.174 0 50 IGAA O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1cnc2nccnc2c1 758866801 REWYYZBCFZYVFQ-UHFFFAOYSA-N 427.420 3.301 0 50 IGAA COCC(C)(C)Cc1nc(-c2cnn(CCO)c2)nn1-c1ccc(OC(F)(F)F)cc1 1875348720 ZVHZCLGYTLTENA-UHFFFAOYSA-N 439.438 3.237 0 50 IGAA C[C@H](NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1)c1ccc(S(C)(=O)=O)cc1 2325879231 NFHXBKOKPQKENG-LBPRGKRZSA-N 440.543 3.392 0 50 IGAA COc1ccc(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)cc1OC 1214253 JXBKXKJKFDALTQ-LJQANCHMSA-N 426.366 3.273 0 50 IGAA Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)c3c2c1 8599852 WJJUXXPIUKSSFG-UHFFFAOYSA-N 436.899 3.453 0 50 IGAA Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@H](C)N2CCCC2=O)CC1 11773738 LAPRJSOUPWUFII-KRWDZBQOSA-N 438.532 3.010 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC(NCc3cccnc3)CC2)cc1 11782767 BGYPVOPKALYOAQ-UHFFFAOYSA-N 444.535 3.499 0 50 IGAA Cc1cccc(CN2CCC(N3CCC(C(=O)N(C)Cc4c(C)n[nH]c4C)CC3)CC2)n1 12195140 VIXORLPBMYXUPO-UHFFFAOYSA-N 438.620 3.065 0 50 IGAA O=C(Nc1ccc(N2CCC(NCCn3cccn3)CC2)cc1)c1ccc2c(c1)OCO2 14989745 GUZNXWWQDHTRNI-UHFFFAOYSA-N 433.512 3.123 0 50 IGAA CCCn1ncc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1C 15072591 YPIBGMGJCSLAKV-UHFFFAOYSA-N 444.576 3.030 0 50 IGAA Cc1c(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 16041327 STEXEUVMBCWSQH-HXUWFJFHSA-N 435.476 3.171 0 50 IGAA biogenic O=C(NCCCn1ccnc1)c1ccc(-c2ccsc2)nc1N1CCC[C@H](CO)C1 19144941 SWPRJLBPERDGHL-KRWDZBQOSA-N 425.558 3.035 0 50 IGAA O=c1[nH]c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)nc2c1oc1ccccc12 110443277 BZLLVUDEWHNRGR-UHFFFAOYSA-N 428.452 3.494 0 50 IGAA O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 170617643 MGSKIGFKJCXSEM-UHFFFAOYSA-N 425.374 3.319 0 50 IGAA COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1 253410942 NYTKLSPMXWSDOV-UXHICEINSA-N 432.480 3.185 0 50 IGAA biogenic CC(=O)Nc1ccc(C(=O)N2CCOc3ccc(CN4CCCC[C@@H]4CO)cc3C2)cc1 299756728 DYAOFKWYWFSACY-HSZRJFAPSA-N 437.540 3.027 0 50 IGAA O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 487381186 UAAZZQAKWGNYBH-UHFFFAOYSA-N 448.857 3.391 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)C1=O 733874960 MVFWBASQNVJUKC-XMMPIXPASA-N 440.463 3.031 0 50 IGAA Cc1c(C(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c(-c2ccccc2)nn1-c1ccccc1 1857669075 IEXVGOLBEWOEHG-UQBPGWFLSA-N 431.492 3.411 0 50 IGAA O=C1CCc2cccc(c2)Oc2cccc3c2OC[C@]2(CN1)CN(Cc1cnc[nH]1)C[C@H]32 1857726235 YMXDPCOJHZLOTH-BWKNWUBXSA-N 430.508 3.243 0 50 IGAA O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 1875263759 CFCGBXVEEQFEIQ-MRXNPFEDSA-N 447.457 3.436 0 50 IGAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCc2cc(O)ccc2C1 1875301385 HPWCPVJGQDYWNA-SFHVURJKSA-N 435.402 3.164 0 50 IGAA CCOCCOC(=O)c1cccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1771511 KCEOXZBDNIJELP-HXUWFJFHSA-N 438.480 3.139 0 50 IGAA COc1ccc(CN2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)cc1O 11868225 XQGYKRFTMAJDDC-VWLOTQADSA-N 437.540 3.214 0 50 IGAA O=C1N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2 12377333 FRDSMIIZESQQME-DHIUTWEWSA-N 437.515 3.463 0 50 IGAA COc1ccc(CN2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)c(C)c1C 104497641 KURJXCDLEKQOSX-HXUWFJFHSA-N 426.586 3.386 0 50 IGAA CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 242389375 ZWQPPUIWAXCFHJ-NUEKZKHPSA-N 427.453 3.216 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)NC[C@H]2CC23CCCCC3)(c2ccccc2)C1=O 299779549 UKXLLFLYZWUNDA-NLFFAJNJSA-N 426.557 3.197 0 50 IGAA O=C(CCCn1nnc2ccccc2c1=O)N1CCC(c2noc3cc(F)ccc23)CC1 334162718 YIVBFDNTKBGLNH-UHFFFAOYSA-N 435.459 3.258 0 50 IGAA COc1ccc([C@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@@H](C)C4)nc(O)c32)c(OC)c1OC 824639889 UVECPSJHRIVCEB-VNHYZAJKSA-N 442.516 3.164 0 50 IGAA COc1c[nH]c(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cc1=O 1857704574 XVWATHPIHXKRJO-HXUWFJFHSA-N 439.556 3.096 0 50 IGAA COC(=O)c1c(CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1C 1875257468 DCAMFJLHPVNAFD-ZWKOTPCHSA-N 445.519 3.339 0 50 IGAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1ccc2nc[nH]c2c1F 1875288054 MBKNFVCPCYVNKC-CYBMUJFWSA-N 442.458 3.424 0 50 IGAA Cc1cc(I)ccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 1111551 KXHVNTPYMPSRGX-UHFFFAOYSA-N 444.294 3.248 0 50 IGAA COC(=O)c1ccc2c(=O)n(NC(=O)C(c3ccccc3)c3ccccc3)c(S)nc2c1 2327594 ISNPTKGGYIMYOT-UHFFFAOYSA-N 445.500 3.374 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCCN(C)CC4)c(C)c23)c1 12244076 JVOMMGXTUZNXLI-UHFFFAOYSA-N 425.558 3.398 0 50 IGAA Cc1ccn(CC(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)n1 12298038 ORRKNBGDGCUIPA-QFIPXVFZSA-N 428.552 3.250 0 50 IGAA Cc1ccc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 20999025 JGKJTVDNHIBIOP-QHCPKHFHSA-N 432.572 3.475 0 50 IGAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4sc(-c5ccccc5)nc4C)CC3)nn2)n1 72437409 VUCOUQYPQGCKOK-UHFFFAOYSA-N 445.552 3.365 0 50 IGAA COc1ccc(CN2C(=O)[C@H]3C=C[C@H]2[C@H]2C=C[C@H]3N(Cc3ccc(OC)cc3)C2=O)cc1 101042196 OTOSSUNWCZACDQ-NVPYSNMXSA-N 430.504 3.184 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1cccc(-n2cccn2)c1 299767773 OCGWUHKRXXZOSY-QHCPKHFHSA-N 431.540 3.211 0 50 IGAA COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3cn4ccsc4n3)C2)cc1 299803142 YCXWBORLEDCSNC-QUCCMNQESA-N 438.553 3.309 0 50 IGAA COc1ccc(Cn2nccc2NC(=O)Cc2cnc3c(C)cccn23)c(OC)c1OC 2100483180 WWWJPYVCFLCXON-UHFFFAOYSA-N 435.484 3.095 0 50 IGAA COc1cc(C=O)ccc1Oc1nc(Nc2ccc(F)cc2F)nc(N2CCOCC2)n1 870607 DNLSRGGOYZCMPO-UHFFFAOYSA-N 443.410 3.343 0 50 IGAA COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O 1147738 GOGZIOBOTPJZHL-XNTDXEJSSA-N 431.242 3.098 0 50 IGAA Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ncc(C)s3)n2C)c1 2837780 WFLUYZPDIRYPQY-CYBMUJFWSA-N 430.559 3.110 0 50 IGAA COC(=O)c1c(NC(=S)NNC(=S)Nc2ccc(F)cc2F)sc2c1CCC2 2855696 QMFKHVJWYXTXDP-UHFFFAOYSA-N 442.538 3.490 0 50 IGAA CCOC(=O)N1CCN(c2nc3c(c(Nc4ccc(OC)cc4)n2)C(=O)CCC3)CC1 9423311 LFTIAOYZUFGINQ-UHFFFAOYSA-N 425.489 3.026 0 50 IGAA O=C(CCC(=O)N1CCC2(CC[C@@H](CNC(=O)c3ccccn3)O2)CC1)c1ccccc1 11872834 FXURXYPQRCCDLQ-FQEVSTJZSA-N 435.524 3.015 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)N[C@H](C)Cc2ccsc2)(c2ccccc2C)C1=O 12196816 QPSOKVUNHLFLEI-KOSHJBKYSA-N 442.581 3.227 0 50 IGAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2ccc(OC)cc2)C3)cc1 14540815 YAIZOLLUSRRCPG-UHFFFAOYSA-N 448.567 3.403 0 50 IGAA COc1ccc(CCNC(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCC3)c2=O)cc1 14964526 BNGAKQYQVZIHRH-UHFFFAOYSA-N 437.540 3.227 0 50 IGAA O=c1/c(=C/c2ccccc2OS(=O)(=O)c2ccccc2)sc2nc3ccccc3n12 15769487 WLYHXCYLISNOTN-ZHZULCJRSA-N 434.498 3.225 0 50 IGAA COc1ccc2c(c1)[C@@H](CC(=O)N1CCC3(CC1)C[C@H]3C(=O)Nc1ccccc1)C(=O)N2 101931820 LZWWMKLJEOBVMA-UXHICEINSA-N 433.508 3.388 0 50 IGAA O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772934 NYLAVJDRGKPHMB-ZDUSSCGKSA-N 436.472 3.136 0 50 IGAA Cc1cc(C)n(Cc2cccc(-c3noc([C@@](C)(O)CN4Cc5ccccc5C4=O)n3)c2)n1 225508862 SNMAFDOWSRNKNZ-VWLOTQADSA-N 443.507 3.462 0 50 IGAA O=C(c1ccc(OCC2CC2)cc1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 225564101 JCJPDUBOGKJPCO-VWLOTQADSA-N 447.579 3.424 0 50 IGAA COC(=O)COc1ccc(C(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)cc1OC 328591635 CFHRJZAISZQVML-KRWDZBQOSA-N 446.569 3.211 0 50 IGAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CC[C@H](c2ccccc2)C1 670467089 OLTYRHNZBNLRQZ-HNNXBMFYSA-N 427.854 3.126 0 50 IGAA COCC(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1OC 952989920 PYAVHTHDYOZDQW-UHFFFAOYSA-N 439.512 3.079 0 50 IGAA O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC(N=c2cc[nH]cc2Cl)CC1 1875331996 JBVYYDGGZMSOPY-FQEVSTJZSA-N 427.980 3.407 0 50 IGAA CC(C)c1ncc2c(n1)CN(c1ccc(S(=O)(=O)N[C@H](C)C3CCOCC3)cc1F)C2 1875342677 CCRWNGXDGABSOO-OAHLLOKOSA-N 448.564 3.353 0 50 IGAA CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(C(F)F)c1)c1ccccc1 2325869634 WTHLLESYEIBCNE-PMACEKPBSA-N 429.467 3.109 0 50 IGAA Cc1cc(C(=O)OCc2cccc(F)c2F)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 2332237350 WECLHRYJVYGUFB-UHFFFAOYSA-N 434.464 3.436 0 50 IGAA COc1ccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)cc1 2873820 OYJLVHDYWQCWSM-CYBMUJFWSA-N 428.489 3.429 0 50 IGAA Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 12126949 KGAKEDILBAGIQO-AWEZNQCLSA-N 436.603 3.299 0 50 IGAA CC(C)c1ccc(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)n2)cc1 13960010 LEPWQSQLVPIZRR-IBGZPJMESA-N 428.386 3.464 0 50 IGAA O=C(Cc1ccccc1Cl)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 14879111 RJWMDAUVRQWOQN-LJQANCHMSA-N 427.932 3.248 0 50 IGAA COC(=O)[C@@H]1CCCN1C(=O)c1c(CC2CCCC2)n(Cc2cccnc2)c(C)cc1=O 14989823 SUIIYPXGYGOQPM-FQEVSTJZSA-N 437.540 3.110 0 50 IGAA COc1ccccc1CN1C[C@@H](C(=O)N(C)CCc2nc3ccc(F)cc3[nH]2)CCC1=O 15934821 OAXOMHURDGBAJR-KRWDZBQOSA-N 438.503 3.150 0 50 IGAA CN(CCOc1ccccc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 19741020 XKXVKOPEECPTSL-UHFFFAOYSA-N 427.570 3.430 0 50 IGAA COc1ccccc1-c1cc2nc(C)cc(N3CCN(c4nc(C)cc(C)n4)CC3)n2n1 21525258 JGEQONYINWVWBX-UHFFFAOYSA-N 429.528 3.447 0 50 IGAA CNC(=O)[C@@H]1C[C@H](NC2CCN(Cc3ccccc3)CC2)CN1Cc1cccc(Cl)c1 23362663 FYNMJHLSGHNAEJ-ZEQRLZLVSA-N 441.019 3.283 0 50 IGAA CC(C)N(CCOCCNC(=O)c1cccc(Cl)n1)C(=O)c1cccc(Cl)n1 170607633 IIWVQXDUTCZXDA-UHFFFAOYSA-N 425.316 3.081 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239403110 RMZSELYIZSDYMH-ONEJUCAZSA-N 449.732 3.483 0 50 IGAA O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1)c1ccccc1 239439045 ZJEXNVFTVWUFNY-PQQGQAHPSA-N 433.504 3.024 0 50 IGAA CCOC(=O)c1c(NC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)sc(C)c1C 242106317 WIRRNMYMADBDMQ-JKSUJKDBSA-N 426.604 3.467 0 50 IGAA CC[C@H](NC(=O)c1cn(CCOC)cc(C(=O)N2CCCCCC2)c1=O)c1cccs1 299775939 MMBLRRYSMNHPLZ-IBGZPJMESA-N 445.585 3.454 0 50 IGAA O=C(Nc1cccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c1)[C@H]1Cc2ccccc2O1 732773322 PFMARWOHYXQZJW-FYYLOGMGSA-N 447.535 3.246 0 50 IGAA O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)Nc1nnc(C2CCOCC2)s1 1476680503 LBWGZVOQECJVKS-GFCCVEGCSA-N 444.479 3.424 0 50 IGAA Cn1nc(C(=O)N2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)cc1-c1ccccc1 1704330913 ICLYNORJVIYACO-UHFFFAOYSA-N 436.556 3.111 0 50 IGAA O=C(NC[C@H]1CCC2(CCC2)O1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1857527590 RQJFNBSCDOEDQM-CVEARBPZSA-N 427.423 3.091 0 50 IGAA Cc1cccnc1CCC(=O)N1CCCC[C@H]1Cc1cn(-c2ccc(C(=O)O)cc2)nn1 1875355293 GLDGJMUTAUTPMV-NRFANRHFSA-N 433.512 3.225 0 50 IGAA COc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1OC 1019683 CZMCXHMWBPGQBJ-WQRHYEAKSA-N 428.466 3.475 0 50 IGAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccncc1 10014012 AXXOSUBSNOSOMS-UHFFFAOYSA-N 443.956 3.285 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2cccc(NC(C)=O)c2)C1 12702217 VJLDBKOESNDQHT-QHCPKHFHSA-N 444.553 3.222 0 50 IGAA Cc1ccc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)s1 12709950 NOXUEMDMXOYZJR-UHFFFAOYSA-N 442.990 3.443 0 50 IGAA CCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H](O)c1ccccc1 13576749 LCBKVJMDADCWJU-DHIUTWEWSA-N 437.517 3.201 0 50 IGAA O=C(Cn1nc2ccccc2n1)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 14950787 DZRXCLKMJDWRCJ-NRFANRHFSA-N 425.577 3.094 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 14995175 ASTCAJVHGLJQCC-FQEVSTJZSA-N 430.556 3.293 0 50 IGAA O=C(c1nnn2cc(-c3ccccc3)nc(O)c12)N1CCN(c2cccc(Cl)c2)CC1 263619535 ZCZHYKLHYJUFJQ-UHFFFAOYSA-N 434.887 3.113 0 50 IGAA CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Br)c3c2OCCC3)c1 486357390 AEPTZZPVOKTYLV-UHFFFAOYSA-N 425.304 3.398 0 50 IGAA Cc1cc(=O)c(C(=O)N2CC[C@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)c[nH]1 952895299 ZLEJZEAVBSUIKH-IBGZPJMESA-N 436.365 3.219 0 50 IGAA c1cncc([C@H]2c3[nH]cnc3CCN2Cc2ccccc2OCCCN2CCOCC2)c1 952981535 YBMUPLMSEIFNFF-VWLOTQADSA-N 433.556 3.054 0 50 IGAA CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1Cl 2325819642 LWGTYVZTXBRXIV-GOEBONIOSA-N 449.960 3.186 0 50 IGAA COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)c2)cc1 754818 OJZCJSWPTKVBNP-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA COc1cc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc3c(c2)OCO3)c(OC)cc1Cl 808227 AGGNDIXDHOVKQS-LJQANCHMSA-N 445.859 3.353 0 50 IGAA CCc1sc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Br 1053614 CNPFOSNJSOMFJH-UHFFFAOYSA-N 443.388 3.220 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 1217126 CPLMOOWQSCPCSR-PZHBDVNGSA-N 448.544 3.115 0 50 IGAA O=C(O)CCCC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccccc2)N1 1902171 UCMBQWRUNNXRKS-SFHVURJKSA-N 437.887 3.339 0 50 IGAA CCn1cc(CNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(OC)cc4)nc23)cn1 2439348 RZTSSYXAYDAUEK-UHFFFAOYSA-N 426.427 3.489 0 50 IGAA Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1 2503327 WUYZWCZJRUUDRG-UHFFFAOYSA-N 447.542 3.230 0 50 IGAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN([C@H]1CCc3ccccc3C1)CC2 14755266 ARJBPPIDXRHCPU-QHCPKHFHSA-N 432.568 3.300 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 14879909 FKKNMARMCGCZEH-UZUQRXQVSA-N 449.498 3.087 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CCCC2)C1=O 14968805 JIVWKZDRBHTXNA-BWKNWUBXSA-N 442.556 3.052 0 50 IGAA Cc1cccn2c(CN3CCN(C(C)C)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 19789597 NCFWPBNCKQVZQM-UHFFFAOYSA-N 433.600 3.483 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1cc3ccccc3s1)CC2 20452652 IGLIBBKUDSAKHC-UHFFFAOYSA-N 437.565 3.366 0 50 IGAA Cc1nc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)sc1C 169772970 SBWGREODAPQVPR-JTQLQIEISA-N 434.319 3.390 0 50 IGAA C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773450 HBAIFWUPYJVYMD-GOSISDBHSA-N 435.524 3.039 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NC1CCN(C(=O)c2ccco2)CC1 240886235 INYXXHADLGIQAP-XUVXKRRUSA-N 447.576 3.278 0 50 IGAA CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)ccc2NC1=O 252668515 FGFSIHQEOLQFSO-PNHOKKKMSA-N 437.496 3.405 0 50 IGAA COc1cc(OC)cc([C@@]2(F)CCN(S(=O)(=O)c3cc(C(=O)O)cc(C)c3F)C2)c1 1875391756 LKIIKKXYBRSFQV-HXUWFJFHSA-N 441.452 3.109 0 50 IGAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCCc2scnc21)c1ccc(F)cc1F 2325877730 YWXYVBHMUZCUCR-CWLKWCNXSA-N 449.523 3.240 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 880263 AWYZZYRVOQMORY-UHFFFAOYSA-N 439.537 3.219 0 50 IGAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 6491891 NVTXUOPHFQIFCC-WUXMJOGZSA-N 448.280 3.145 0 50 IGAA Cc1cc(C)cc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 8611732 RSGJGJKGMWKGOG-UHFFFAOYSA-N 426.542 3.103 0 50 IGAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 9861235 KBBGSJCWGJHTHC-UHFFFAOYSA-N 445.497 3.291 0 50 IGAA Cc1cc(-c2nnc(SCC(=O)Nc3nnc(C)s3)n2C[C@H]2CCCO2)cs1 17100711 ZYHADCCQDSZGBM-CYBMUJFWSA-N 436.588 3.385 0 50 IGAA CCN(CC)CCN(C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 23359098 OGEIYOQQBBHYAS-DEOSSOPVSA-N 443.632 3.341 0 50 IGAA Cc1c(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)c(=O)n2c([nH]c3ccccc32)c1C#N 136060579 ZRNJIQFDUSIRTK-MHWRWJLKSA-N 443.850 3.076 0 50 IGAA O=C(CCc1nc(-c2cccs2)no1)N[C@H](CO)c1ccccc1OC(F)(F)F 225438883 WQFQCYFQDYRCJE-GFCCVEGCSA-N 427.404 3.479 0 50 IGAA CC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 229383249 HZPNOXCDXWPAGN-YUGWGPBPSA-N 425.910 3.022 0 50 IGAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCCN(c2ccccc2Cl)C1 426021509 NXCVVYKOGDHWGW-BIWPUNNQSA-N 427.976 3.117 0 50 IGAA Cc1oncc1S(=O)(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857704908 KQDSNVDOXLZKQS-FQEVSTJZSA-N 433.574 3.244 0 50 IGAA CC(=O)NCCN(C(=O)N[C@H](c1ccc(F)cc1)c1cccnc1)C1CCSCC1 1875252810 FQKLFSKGKKEGFV-OAQYLSRUSA-N 430.549 3.353 0 50 IGAA O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1)N1CCc2ccccc2CC1 1875258945 SWRIVKLZHYUSPO-RUZDIDTESA-N 446.572 3.430 0 50 IGAA CC(C)c1ccc(-c2noc(CN3CCN(S(=O)(=O)N4CCCC[C@H]4C)CC3)n2)cc1 1875264820 VIRKKPWTLKWRRX-GOSISDBHSA-N 447.605 3.097 0 50 IGAA COc1cc(OC)cc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)c1 646717 IIJFORSESJAIBY-UHFFFAOYSA-N 447.538 3.350 0 50 IGAA COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)cc1OC 727101 UELANWLVLVZVES-HXUWFJFHSA-N 427.526 3.452 0 50 IGAA COc1ccc(-n2nc3ccc(NC(=S)NC(=O)COc4ccccc4)cc3n2)cc1 977643 HIBYQBZCFHEFEQ-UHFFFAOYSA-N 433.493 3.321 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(Cl)cc1 8837582 IEVZQYZEFKKXMF-OXRZLYTFSA-N 442.899 3.201 0 50 IGAA C[C@H](NS(=O)(=O)c1cccs1)c1nnc(SCCOc2ccc(F)cc2)n1C 12470387 OBGWMSWQWOWPJE-LBPRGKRZSA-N 442.563 3.226 0 50 IGAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 12596119 OYWQYNNWHCBJSJ-JHEAYKPVSA-N 425.529 3.308 0 50 IGAA COc1ccc(-c2c(C)nn3c(NCCCN4CCOCC4)cc(C)nc23)cc1OC 20547778 HYSFVSJKILJPMC-UHFFFAOYSA-N 425.533 3.165 0 50 IGAA CCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21 100732758 RMNREUCLOBZXQL-UHFFFAOYSA-N 432.480 3.167 0 50 IGAA COc1ccc([C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C3=NC(=O)N(C)[C@H]32)cc1 253471590 VSZUODXXMZFPDQ-JXFKEZNVSA-N 439.468 3.074 0 50 IGAA OC[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccn2-c2ccccn2)CCO3)C1 299781617 DRAZNAPLQZSIDF-QFIPXVFZSA-N 432.568 3.471 0 50 IGAA CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1 299787853 YFJVTHOUHCCGPT-NRFANRHFSA-N 442.007 3.292 0 50 IGAA Cc1cc(CN2CCN(C(=O)[C@@]34CCCC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)on1 328591420 MDMRDRZKKNHGNL-FDDCHVKYSA-N 432.565 3.055 0 50 IGAA O=C(O)[C@@H]1CN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC12CCOCC2 1775979786 PDSKRTFWKLEBNX-QHCPKHFHSA-N 434.536 3.198 0 50 IGAA Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 1875256778 NEHYPDZXACIWIU-QFIPXVFZSA-N 444.535 3.183 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 845652 TZGBIYGYQMWPOB-HXUWFJFHSA-N 443.525 3.153 0 50 IGAA in-vitro CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1 2843316 YYMPTGSVZOZUFJ-UHFFFAOYSA-N 443.504 3.014 0 50 IGAA COc1cc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1 2927995 IDXCGIXGGXPSNT-UHFFFAOYSA-N 428.304 3.269 0 50 IGAA COc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)C(=O)NC[C@H]2CCCO2)cc1OC 13403846 NNUVRORHIJKYAL-GEBKJHSDSA-N 444.915 3.423 0 50 IGAA Cc1c(C(=O)NCc2ccon2)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 14986971 PENOIOXNIPDGRP-AWEZNQCLSA-N 437.481 3.170 0 50 IGAA CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)C1 19609050 NVTVDQKCYJMZBD-LJQANCHMSA-N 436.597 3.169 0 50 IGAA CCn1ncc(-c2ccnc3cc(C(=O)N4CCN(Cc5ccccc5F)CC4)nn23)c1C 19646005 YLQMULUCERXIGB-UHFFFAOYSA-N 447.518 3.018 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@@H]4CC)CC3)c2c1 20573279 HTSGKUIOQGVHAD-FQEVSTJZSA-N 441.572 3.100 0 50 IGAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607541 KPDXWFNXJRZWFP-JTQLQIEISA-N 437.388 3.367 0 50 IGAA CN(C)c1ncn(-c2cccc(NS(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)c2)n1 225606087 NFBDOQJHTAIKON-UHFFFAOYSA-N 427.317 3.023 0 50 IGAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676458 MUGQZKCNRCCKAR-RTEQLQKUSA-N 425.602 3.416 0 50 IGAA CCc1cc(C(=O)N2CC[C@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)cc(O)n1 952895339 ZYFXENPXRSHLJB-IBGZPJMESA-N 433.390 3.141 0 50 IGAA COC(=O)[C@@H](CNC(=O)C[S@](=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1C 1875383251 MHQLAYMQXHDTRQ-JMGYQRAPSA-N 425.909 3.043 0 50 IGAA COc1cc2[nH]c(=NC[C@@H]3CCN(C)[C@H]3c3cccc(Cl)c3)[nH]c(=N)c2cc1OC 2325731536 VQUQBEMLSAZVAA-XOBRGWDASA-N 427.936 3.240 0 50 IGAA CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nnnn2-c2ccccc2)nc1C 2783611 UUSLCGUVVQEILV-CYBMUJFWSA-N 432.531 3.113 0 50 IGAA CC[C@]1(C2CCN(CCC(C)C)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O 11786927 MWLFNKPQQACEER-YADARESESA-N 429.561 3.285 0 50 IGAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCCn1ccc2ccccc21 12036638 KEBBTSCBANRSJX-UHFFFAOYSA-N 433.537 3.385 0 50 IGAA Cc1cnc(C(=O)N2CCOc3ccc(CN4CCN(c5ccccc5)CC4)cc3C2)cn1 12190652 WCHOZZKAMRBAGZ-UHFFFAOYSA-N 443.551 3.142 0 50 IGAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(Cl)c1 12596716 ARMKCZAJOGIBEA-QGZVFWFLSA-N 433.980 3.358 0 50 IGAA COc1ccc(CN2C(=O)N(C)C3(CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 14536445 GMOQBFLYSADJBN-JOCHJYFZSA-N 433.552 3.481 0 50 IGAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 14975349 FXRKPGOTZYTHRA-OAHLLOKOSA-N 429.464 3.339 0 50 IGAA CN(CCCN1CCOCC1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 19740504 JBRRCBZSZJJLMS-UHFFFAOYSA-N 427.423 3.067 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 19831934 WOULJCSHTVRAEL-UHFFFAOYSA-N 439.600 3.495 0 50 IGAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 67724403 SIHWKKJZUQVJLM-JOCHJYFZSA-N 433.531 3.438 0 50 IGAA C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 248044905 WGDYMXAVYKISAG-AVRDEDQJSA-N 447.539 3.395 0 50 IGAA CN(Cc1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)C1CCCCC1 252475049 RORZEEXYXKYXAP-URXFXBBRSA-N 444.620 3.310 0 50 IGAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2cn3c(C)csc3n2)cc1 299766522 DSJJIZMQSSGMED-IBGZPJMESA-N 426.542 3.162 0 50 IGAA CCN(C)C(=O)c1ccc(N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)nc1 1704304425 FAUKRUASXVFWFJ-UHFFFAOYSA-N 425.529 3.259 0 50 IGAA O=C(CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)NCc1ccc(C(=O)O)o1 1704315929 RRKLFWUFOBFYLG-VWLOTQADSA-N 446.507 3.031 0 50 IGAA Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H]1C=CS(=O)(=O)C1 2325707361 MVFXWCKCPUUEGW-NSHDSACASA-N 428.894 3.142 0 50 IGAA Cc1c(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cnc(Cl)s4)[C@H]3C2)sc2nccn12 2325876130 LHGJRJUXCZLWEL-SDDRHHMPSA-N 435.962 3.095 0 50 IGAA COc1ccc(S(=O)(=O)NCc2ccco2)cc1-c1nnc2c3ccccc3c(C)nn12 1121579 LPNHVBDXCGLOBH-UHFFFAOYSA-N 449.492 3.333 0 50 IGAA O=C(NCCCO)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 1815895 QTCVDXYJJFNUHK-HMMYKYKNSA-N 435.436 3.124 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 11879552 LHDCAKPYGWXWKT-XMMPIXPASA-N 437.471 3.090 0 50 IGAA Cn1nccc1C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 12303381 WWTIVIIQWFDLFN-UHFFFAOYSA-N 430.936 3.430 0 50 IGAA Cc1cc(C)cc(C(=O)N2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)c1 12373589 AKGFHBCBCKGASO-UHFFFAOYSA-N 434.584 3.331 0 50 IGAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1)C2 14991271 YVDJFEVOOQFHED-WZONZLPQSA-N 441.547 3.371 0 50 IGAA O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CCC(O)(c2ccc(Cl)cc2)CC1 35686413 GBBSWFSJOBNTEP-UHFFFAOYSA-N 443.956 3.320 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)CC1 55183270 GRQIVOOKXVBIPT-OAQYLSRUSA-N 439.604 3.054 0 50 IGAA CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1OC 65362326 BJJQGDYJZBZFFJ-QGZVFWFLSA-N 448.527 3.452 0 50 IGAA C[C@@H]1CCCCN1C(=O)CN1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170601567 JZMPUYMAOIIEAE-NHCUHLMSSA-N 436.641 3.042 0 50 IGAA COc1ccccc1N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)C(=O)c1ccccc1 239235760 WQAJJRTUERZDQE-XEAGOBSMSA-N 428.488 3.353 0 50 IGAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@H]1c1nc3ccccc3s1)C2=O 245228207 KAXOKWBOSXDUAQ-WEBUEUPWSA-N 426.542 3.461 0 50 IGAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 245256967 UUFFENCMWRFRMT-LEDOBFOHSA-N 432.524 3.198 0 50 IGAA CCCNC(=O)c1ccc(NC(=O)C(=O)Nc2cccc(CC(=O)OCC)c2)cc1Cl 440959358 GGIVGBVJYXYRPR-UHFFFAOYSA-N 445.903 3.163 0 50 IGAA O=S(=O)(Nc1cccc2nc(O)[nH]c12)c1cc2c(Br)cncc2s1 2325862028 GQTVMKQZQVKKJO-UHFFFAOYSA-N 425.289 3.442 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(OC)c(OC)cc2OC)cc1 845653 TZGBIYGYQMWPOB-FQEVSTJZSA-N 443.525 3.153 0 50 IGAA in-vitro O=C(NCCSC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 2857130 HXJJOCPGTLDZHN-UHFFFAOYSA-N 447.022 3.157 0 50 IGAA CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cccc12 4517301 XESDLBBWXMRQDN-FQEVSTJZSA-N 437.521 3.361 0 50 IGAA CO[C@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccoc1C)C2)c1ccccc1 12152681 FUGJJRQUMCLXLS-QHCPKHFHSA-N 433.508 3.494 0 50 IGAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCn3ccnc3C)C2)cc(OC)c1 12306446 VBAJKHSDOBMPRF-GOSISDBHSA-N 428.533 3.256 0 50 IGAA C/C=C(\C)C(=O)N1CCC([C@@]2(Cc3ccccc3Cl)NC(=O)N(CCOC)C2=O)CC1 14878647 MNXBUXJSUUZLHN-ABZJFVJSSA-N 447.963 3.024 0 50 IGAA O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16400579 VGKVHNWOWWOVIK-UHFFFAOYSA-N 428.535 3.380 0 50 IGAA CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)CC(C)(C)C)CC2 19866901 NHHAHBUTJDDMGA-UHFFFAOYSA-N 429.590 3.343 0 50 IGAA COCCS(=O)(=O)c1ncc(CN(C)CCc2ccccc2)n1Cc1ccccc1 20536468 MCSCHYSXIIMLHR-UHFFFAOYSA-N 427.570 3.026 0 50 IGAA O=C(Nc1ccc(Cl)cc1)c1nccnc1C(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 473405407 JESZNJVTZBGFFH-LBPRGKRZSA-N 426.864 3.252 0 50 IGAA O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nn[nH]n2)c(O)c1)c1ccc(Cl)c(Cl)c1 1875340206 QIPUIVZHQHSBRW-HNNXBMFYSA-N 447.282 3.442 0 50 IGAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc(CO)o2)[C@H](C)C1 2325829871 UXWXVDNDUSQQDN-CHWSQXEVSA-N 441.311 3.219 0 50 IGAA COC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 703379 LQBUHRAWRQNFBN-NWDGAFQWSA-N 426.494 3.283 0 50 IGAA CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4611611 MNGJXXOGLLZAJR-QMMLZNLJSA-N 426.513 3.228 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCC2(CC1)C[C@H]2C(=O)N(C)Cc1cscn1 11840463 QJCALTFWYMKWAI-SFHVURJKSA-N 445.585 3.430 0 50 IGAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)c(OC)c1 11933040 GZUCHNDEMVXUKJ-YFPIXMDGSA-N 437.540 3.447 0 50 IGAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC 12072769 HABHMJWZKNFKIZ-IBGZPJMESA-N 445.604 3.115 0 50 IGAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1ccc(F)cc1 12091793 BDVXDWMFNZZISC-DEOSSOPVSA-N 433.612 3.430 0 50 IGAA COCc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)cnn1-c1nccc(-c2cccs2)n1 12128670 TWNYHQPEXYVUBB-CQSZACIVSA-N 427.530 3.225 0 50 IGAA CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2ccc(OC(F)(F)F)cc2)CC3)CC1 12281663 TVPNVWZJYUIXGB-LJQANCHMSA-N 425.495 3.351 0 50 IGAA Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1O)OCC3 12427974 ALNOUSVQTLEMJE-NRFANRHFSA-N 437.883 3.184 0 50 IGAA Cc1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)nn1C 12595603 MNGWVANHDYXFQN-LJQANCHMSA-N 430.556 3.207 0 50 IGAA CC(C)CC[C@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(Cc2ccccn2)C1=O 12726640 AUUDSBQGULQXNI-XMMPIXPASA-N 438.528 3.454 0 50 IGAA CC[C@@H](O)C1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)CC1 12750074 MBJHAUVEIDYKQV-JOCHJYFZSA-N 444.572 3.098 0 50 IGAA Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 16269015 YVIIFMNLXIXWAV-SFHVURJKSA-N 443.569 3.333 0 50 IGAA Cc1cc(OCC(=O)N2CCC(c3nnc4ccccn34)CC2)c2c(C)cc(=O)oc2c1 36367043 BRONEFLJSZXSGW-UHFFFAOYSA-N 432.480 3.238 0 50 IGAA NC(=O)/C(=C/n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1 222037041 JFBAVWVBLRIWHM-AWNIVKPZSA-N 428.296 3.256 0 50 IGAA CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)o1 2325873519 KCPKILXWXYMOPN-UHFFFAOYSA-N 425.466 3.430 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)cc(Cl)c2)cc1 654134 JTXNHFFLWAXAIO-UHFFFAOYSA-N 443.352 3.356 0 50 IGAA COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(OC)c1 1112299 OPOGCTUPNMILDX-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA COc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCCC4)n3)c(=O)oc12 1133077 HNGQWWGPMFWBCX-UHFFFAOYSA-N 427.482 3.266 0 50 IGAA CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)CC)S(C)(=O)=O 1141517 AHEKICCQAODYCH-INIZCTEOSA-N 431.558 3.182 0 50 IGAA NC(=O)CSc1nnc(NC(=O)CSc2nc3cc(Cl)ccc3s2)s1 2869061 CDHVCQMVYGJGGA-UHFFFAOYSA-N 431.977 3.109 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CCCN(C)C2)CC1 11874274 DJJBXROLDKXQLF-KRWDZBQOSA-N 440.548 3.041 0 50 IGAA CN(CCc1ccccc1)[C@@H]1CCc2c(sc3ncn(Cc4cnn(C)c4)c(=O)c23)C1 12131279 PIEJGNPWJZDMBZ-LJQANCHMSA-N 433.581 3.272 0 50 IGAA O=C(Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)Nc1ccccc1C(F)(F)F 12377139 ZUKUAQGWLCJCEU-UHFFFAOYSA-N 440.381 3.205 0 50 IGAA C[C@@H](NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 12401778 HZWKJPYUMUFAJJ-ZHHULCEESA-N 441.557 3.204 0 50 IGAA Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)nc2c1CCCC2 12440061 NICRQJMXLZMJMO-OAQYLSRUSA-N 434.584 3.194 0 50 IGAA Cn1nnnc1SCCNC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 14975026 VZGIDXFMTZCSCD-UHFFFAOYSA-N 428.905 3.118 0 50 IGAA CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCn2ccc(C)n2)C3)n1 14989778 LATOIMPAWAQITJ-MRXNPFEDSA-N 427.505 3.020 0 50 IGAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1NC(C)=O 16651536 WXKBWGNXOIJHPF-UHFFFAOYSA-N 426.423 3.348 0 50 IGAA COc1ccc(F)c(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 19837636 BISOOOXJDZDTPJ-NRFANRHFSA-N 441.507 3.204 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(OC)c1 33326834 AVTOTRXFZYGTIA-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA Cc1cnc(C)c(N2CCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)CC2)n1 55576137 FAEFICMOKKJBDO-UHFFFAOYSA-N 432.450 3.408 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239274618 ALPJIJNVVODKHN-CEUOSFJWSA-N 449.732 3.483 0 50 IGAA O=C(NCCC(=O)N1CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247830112 KPRKIQUSQOOCLR-DBVUQKKJSA-N 431.964 3.242 0 50 IGAA CC(=O)N1CC2=C(C1=O)[C@H](c1cnn3cccnc13)c1cn(C(C)C)c3cccc(c13)N2 263588690 XGKJLMQIENLMMM-HXUWFJFHSA-N 426.480 3.465 0 50 IGAA O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CCC(O)(c2ccccc2Cl)CC1 765534826 BPEUTJZWOHCNMG-SFHVURJKSA-N 449.885 3.417 0 50 IGAA Cc1cc(CC(=O)N2C[C@H]3NC(=O)CCc4ccc(O)c(c4)Oc4cccc(c4)[C@@H]3C2)on1 1875240047 GGCLBMJNAFYLJD-LEWJYISDSA-N 447.491 3.080 0 50 IGAA CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(N)=O)c1cccc(F)c1 1875317852 KPWXQIIKYWQQSS-CTNGQTDRSA-N 441.503 3.393 0 50 IGAA CCOc1ccc(Cl)c(C(=O)NCCCNC(=O)c2nc(OCC)ccc2Cl)n1 2325724236 DHHPNCUMYCTDLQ-UHFFFAOYSA-N 441.315 3.131 0 50 IGAA Cc1ccccc1C[C@H](CO)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 2325740032 FVPXYZDHNZLBRM-WIOPSUGQSA-N 430.548 3.304 0 50 IGAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCCN[C@H](c3ccccc3)CC(=O)NCCC2)c1C 2356161476 WWQSKYJHFVSOKO-NRFANRHFSA-N 438.572 3.297 0 50 IGAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc2cc[nH]c2c1 11816464 FTGALRXGFVHBMM-QHCPKHFHSA-N 426.605 3.453 0 50 IGAA Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)O2)n(C)n1 11997250 MSGWIQIYXCSWLC-ACRUOGEOSA-N 426.605 3.464 0 50 IGAA COCc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc34)C2)o1 15069076 RGKNKEMQBQMTEP-KRWDZBQOSA-N 429.542 3.165 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 18271410 HWAYWXRSVANSSV-NRFANRHFSA-N 439.487 3.211 0 50 IGAA Cc1ccc([C@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ncccn3)CC2)cc1 96822477 XHSKEEXDYFHEEU-NOZRDPDXSA-N 441.535 3.373 0 50 IGAA Cc1cc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)no1 100183387 KFTVOUUHVUJJOW-NRFANRHFSA-N 430.508 3.022 0 50 IGAA O=C(c1cnc(C2OCCO2)s1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 225808212 VGWZUWNHNPBAQN-UHFFFAOYSA-N 442.324 3.094 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]42)cc1 245256752 SGFCGXPPKHOTIJ-XBTHPWMNSA-N 430.460 3.072 0 50 IGAA CC(C)ON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254747378 BLWMJVQUOBWFHN-DIGUAEBXSA-N 427.111 3.003 0 50 IGAA O=C(CS(=O)(=O)Cc1ccc(Cl)s1)OCc1ccc(C(=O)N2CCCC2)cc1 1317716605 IKRRFJHSTCGXBM-UHFFFAOYSA-N 441.958 3.296 0 50 IGAA COC[C@@H](NC(=O)NCCc1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 1875261059 WFCPWBBKLRJRMW-GOSISDBHSA-N 444.475 3.338 0 50 IGAA Cn1ccnc1C[C@H](NC(=O)N1CCN(C2Cc3ccccc3C2)CC1)c1ccccc1 2325738047 HEWNWAOCDMTHFI-DEOSSOPVSA-N 429.568 3.199 0 50 IGAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(Br)cc1OC 6480584 CISYUWOGILAKEW-INIZCTEOSA-N 427.295 3.438 0 50 IGAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)c1 11817474 WKIJPUYWWYMAGP-UHFFFAOYSA-N 434.584 3.331 0 50 IGAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cc(F)cc(F)c3)n2)ccc1C 16649188 FPKOUMPJGRTUMI-UHFFFAOYSA-N 426.423 3.484 0 50 IGAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(Cc2cccc(F)c2)CC1 19837412 XBPSFYNEDBJQGZ-UHFFFAOYSA-N 431.874 3.216 0 50 IGAA CCN(CC)CCN(C)Cc1ccc(OC[C@H](O)CN2CCCCCCC2)c(OC)c1 20272855 UJRYWKSXWWLZTR-HSZRJFAPSA-N 435.653 3.475 0 50 IGAA O=C(NC[C@H]1CCCN2CCCC[C@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 67631280 KTJKIOWZFACJIX-UPSGKMMVSA-N 447.645 3.152 0 50 IGAA biogenic COc1cc2c(cc1OC)CN(CC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)CC2 225644564 NIRHSVFNUJKRPX-LLVKDONJSA-N 429.464 3.415 0 50 IGAA COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c2)cc1 239164792 MXPJBCSKVPHJGA-KKFDQILXSA-N 442.471 3.283 0 50 IGAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN21 245242249 QPDLJKCBOLPAIZ-KCOOYEKVSA-N 435.911 3.334 0 50 IGAA CSc1nc(C(F)(F)F)cc(=N[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)[nH]1 1875321612 OJGWUSCKMPXUHG-LLVKDONJSA-N 432.493 3.352 0 50 IGAA CCOc1ccccc1CCC(=O)N1CCC[C@H]1Cn1cc(-c2cnccc2C(=O)O)nn1 1875355726 OIISYLGEKLNUBN-SFHVURJKSA-N 449.511 3.061 0 50 IGAA COc1ccc(-c2nnc(CN(C)S(=O)(=O)c3cccs3)o2)cc1Br 2325723360 YXFGDGIMUWAGAI-UHFFFAOYSA-N 444.332 3.390 0 50 IGAA CCC[C@@H]1C[C@@H](C(=O)N=[S@]2(=O)CCCN(c3nc(C(C)C)ns3)CC2)CCO1 2332238695 HZMMBIGTZFJULT-JMLKKNOCSA-N 428.624 3.462 0 50 IGAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@]12CCCN2Cc1cc(O)c2cccc(F)c2n1 2356162647 HRHZMLHWBWFOEV-QZTZHPFYSA-N 427.520 3.340 0 50 IGAA O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 815541 PKHGYKLZBDFCHO-AWEZNQCLSA-N 426.897 3.118 0 50 IGAA O=C(NCCc1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2)C1CCC1 12041369 FKBCOBATNOFANG-UHFFFAOYSA-N 443.595 3.427 0 50 IGAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3ccoc3)C2)c1 14536829 JKNGIXCPUWLWKG-DEOSSOPVSA-N 448.519 3.401 0 50 IGAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN(C)C[C@H]1COCCO1 14986555 AEIVMHHUCCWRDH-INIZCTEOSA-N 444.919 3.098 0 50 IGAA CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(OC)cc4)CC3)c2c1 20213151 HMOALKXMGYLBNS-UHFFFAOYSA-N 435.524 3.120 0 50 IGAA CCOC(=O)C1=C(C)N(CCCC(=O)OC)C(=O)N[C@@H]1c1ccc(Br)cc1 29128004 YFZRMRYVWWUQME-QGZVFWFLSA-N 439.306 3.306 0 50 IGAA Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 36235505 BAZHCNDYVBVBHO-UHFFFAOYSA-N 432.406 3.134 0 50 IGAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cnc(SC)nc3)CC2)c1 55132633 OQIIVKSPMNRJER-UHFFFAOYSA-N 442.585 3.487 0 50 IGAA COc1cccc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]2CCO)c1 104626750 WZWXSWKXMYFNSB-HXUWFJFHSA-N 442.947 3.467 0 50 IGAA COCCN1C(=O)C[C@@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O 299772433 XSKNJFQMBZSBKU-NRFANRHFSA-N 434.945 3.093 0 50 IGAA COc1ccc2c(C)c(CC(=O)N[C@H](C)c3nc4ccccc4n3C)c(=O)oc2c1OC 334162272 RLFRPCYGOANYFY-CQSZACIVSA-N 435.480 3.425 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3CC(=O)N(C4CCCC4)C3)s2)cs1 670445435 NBVXIJNLARSYMW-CYBMUJFWSA-N 425.601 3.249 0 50 IGAA CCNC(=O)CN(C)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 918325084 CHNCENVYEBECDF-UHFFFAOYSA-N 437.496 3.136 0 50 IGAA C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(I)o1)[C@H]1C[C@H]2CC[C@H]1C2 1875390240 DPMJJXCODOLJED-YPEUTBLJSA-N 443.281 3.382 0 50 IGAA CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(cc(CO)c(C=O)c2O)O3)C1(C)C 2332918192 NBHMHKSBJDGUEU-FCSKWGDHSA-N 446.540 3.146 0 50 IGAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl 793274 WNGCWJYJSJGDIO-UHFFFAOYSA-N 431.297 3.169 0 50 IGAA COc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O 979734 CCDQFTQLKGXIJF-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA Cc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)c1 1782745 VZRPYQUEJRDNSF-RTWAWAEBSA-N 447.443 3.469 0 50 IGAA CS(=O)(=O)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 4458530 KOEWOKORYWJTBQ-UHFFFAOYSA-N 431.602 3.313 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)NCCc2ccc(Cl)cc2)(c2ccccc2)C1=O 11787270 XSMZHGWSEABOEM-DEOSSOPVSA-N 442.943 3.122 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1Cl)CC2 11871162 AKLNHCNBRLRPML-OZSKJFCKSA-N 428.920 3.332 0 50 IGAA COc1ccc(F)c(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c1 12036243 LPERIUBXJKPZPN-XMMPIXPASA-N 425.504 3.257 0 50 IGAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3c(C)nn(C)c3Cl)CC2)c1 12090204 IGYULZBGPJRCED-UHFFFAOYSA-N 432.952 3.326 0 50 IGAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 15080487 AFAKEIFQAISAFV-QFIPXVFZSA-N 435.471 3.253 0 50 IGAA CCn1c(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)nc2ccccc21 20500491 QPVVMUWDIPZEPS-FQEVSTJZSA-N 438.572 3.142 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NC12CC3CC(CC(C3)C1)C2 55211190 BUPQGNFTDNJLKK-FDBJDISXSA-N 433.955 3.255 0 50 IGAA O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)OCc1cn2cc(Cl)ccc2n1 225664549 HTNBZNJIBFADKL-UHFFFAOYSA-N 439.946 3.120 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1ccc(Cl)cc1Cl 239165167 NPGAHEBVAVBTOL-IXIRJBMKSA-N 448.302 3.163 0 50 IGAA CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 248251571 SKTVPKJDBCMNDH-INIZCTEOSA-N 445.932 3.284 0 50 IGAA NC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)s1 732615513 IAMGUJWHKRMLJR-UHFFFAOYSA-N 436.898 3.411 0 50 IGAA COc1ccc2[nH]cc(CCNC(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)c2c1 951723484 UEVOKJDKRGFJKV-UHFFFAOYSA-N 436.899 3.413 0 50 IGAA O=C1COc2ccc3c(c2)CCN(C(=O)c2ccccn2)[C@H]3c2cccc(c2)OCCCN1 952863619 XPWLRAINXRDMFO-VWLOTQADSA-N 443.503 3.147 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H](Cc3ccccc3)c3nc[nH]n3)CCCCC2)o1 1857526933 RVXXVWXKDVSIMX-GOSISDBHSA-N 436.512 3.464 0 50 IGAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnc2n1NCCC2 1875321794 VSLVBCQWKVSAEF-UHFFFAOYSA-N 429.484 3.073 0 50 IGAA CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1nc2ccccc2s1 1875362868 XFAZLLYUIWTQIV-OAHLLOKOSA-N 447.567 3.243 0 50 IGAA COc1ccc2cc([C@@H]3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1 2049252047 FQMYZWGONAJSHR-HNNXBMFYSA-N 433.416 3.109 0 50 IGAA O=C(CCc1nc(Cl)n[nH]1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356143903 CBZHELVTJFUQQL-FYQPLNBISA-N 427.980 3.335 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 801243 DZBVIUGQJDFAKN-UHFFFAOYSA-N 446.525 3.086 0 50 IGAA COc1ccc(OC)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 1173905 GLXCDQHSKFFMSL-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)c(Cl)c2)cc1Cl 1233393 FTFULVSESZARHS-UHFFFAOYSA-N 427.243 3.443 0 50 IGAA CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1F 2859722 KLJFXGHQZAQGQL-UHFFFAOYSA-N 443.504 3.107 0 50 IGAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OCC)cc1 3627064 DKIXTFCLUSBWSK-FQEVSTJZSA-N 434.514 3.017 0 50 IGAA Cc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12053820 HZIZQVJUZHBEKG-UHFFFAOYSA-N 442.567 3.437 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccc(F)cc1 13151439 SLIPCHHCIZOGKB-UHFFFAOYSA-N 430.954 3.295 0 50 IGAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCN(c3ccc(F)cc3)CC1)C2 14535685 HTZKKSNKHBUZOI-NRFANRHFSA-N 439.579 3.348 0 50 IGAA CCc1ccc(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1 14888645 YDNYLXDSLQHEIH-DEOSSOPVSA-N 425.529 3.226 0 50 IGAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(Oc2ccccc2F)CC1 14978450 GBPTVUAWXPEOMS-QFIPXVFZSA-N 426.444 3.312 0 50 IGAA Cc1cc(=O)c(C(=O)NCCCn2ccnc2)c(CC2CCCC2)n1Cc1cccnc1 15004873 YOWORFKBXBEMKN-UHFFFAOYSA-N 433.556 3.349 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc2c(c1)CCC2 169757869 XNKDANIZIIZZTM-OAQYLSRUSA-N 437.883 3.345 0 50 IGAA Br[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169818909 FAMUPMBATZGWOV-UHFFFAOYSA-M 429.933 3.048 0 50 IGAA C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 252444014 PHCBHOTWWSPYPF-CJNGLKHVSA-N 441.553 3.271 0 50 IGAA COC[C@]1(CNC(=O)c2cccc(-c3nnc(C)o3)c2)CCCN1C(=O)OC(C)(C)C 253418487 RKVJIFLLEYBQRJ-JOCHJYFZSA-N 430.505 3.191 0 50 IGAA Cc1cc2ccccc2n1CCNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 670445157 GHCQRXJCVTYZEQ-HXUWFJFHSA-N 434.540 3.055 0 50 IGAA O=C(CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 1875341285 NPVMHJWFHXZFMM-CQSZACIVSA-N 442.882 3.193 0 50 IGAA CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(cc(CO)c(C=O)c2O)O3)C1(C)C 2332918193 NBHMHKSBJDGUEU-JDCKZXGCSA-N 446.540 3.146 0 50 IGAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC4(CC3)OCCc3sccc34)cn12 2356144363 UCMVCBCXYINSGE-LJQANCHMSA-N 426.542 3.184 0 50 IGAA CCOc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O 880022 LFOJCXJAYMUSSQ-UHFFFAOYSA-N 430.570 3.333 0 50 IGAA O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(NC[C@@H]1CCCO1)c1sccc12 10272519 FNIXTLLXGNHQRQ-LBPRGKRZSA-N 449.945 3.416 0 50 IGAA C[C@H](Cc1ccc(O)cc1)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 11817668 HCEQSUJHFUAORF-HXUWFJFHSA-N 436.600 3.211 0 50 IGAA CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1Cl 12413245 INMPWGKWBPTAAE-QGZVFWFLSA-N 448.310 3.458 0 50 IGAA CCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)c3ccccc3)CC2)CC1 12477398 ZSZWJBKSPLIEIR-UHFFFAOYSA-N 425.533 3.393 0 50 IGAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 14532718 FARGMQUSQKVAQY-UHFFFAOYSA-N 426.561 3.080 0 50 IGAA CC(C)n1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)c(C(=O)NC2CCCCCC2)c1 14986757 VKZDTHZVWSTURF-UHFFFAOYSA-N 432.609 3.199 0 50 IGAA O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCC(N2CCCCC2)CC1 15067175 QUEZGLOPJKZHMZ-RUZDIDTESA-N 448.611 3.007 0 50 IGAA CC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 20057839 DLQWYFCQDCLDCL-FQEVSTJZSA-N 445.441 3.362 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528678 ZFNTURRGHCDZGT-UHFFFAOYSA-N 430.940 3.483 0 50 IGAA COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c1 65365561 YTECIOMXHKPSQE-QGZVFWFLSA-N 434.500 3.062 0 50 IGAA COc1ccc(N2C[C@@H](c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)CC2=O)cc1 169755374 PMYCAYZEVNQDEE-AWEZNQCLSA-N 425.441 3.292 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C2=C1C(=O)OC2 169758132 HGBSHWDPGFMRFT-HXUWFJFHSA-N 441.871 3.255 0 50 IGAA CC(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 169758631 HHRRFCLBVFXHLL-LJQANCHMSA-N 430.936 3.185 0 50 IGAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 252443945 AOVXLKFCLQDBIE-PMACEKPBSA-N 446.551 3.025 0 50 IGAA COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)C(=O)/C=C/c1cccc(OC)c1OC(F)F 408517070 ITJFINRSSALOHN-KVYFGWCZSA-N 449.450 3.261 0 50 IGAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CNC(=O)[C@@H]1CCCc2scnc21)c1ccc(F)cc1F 2325877731 YWXYVBHMUZCUCR-CYGHRXIMSA-N 449.523 3.240 0 50 IGAA CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1OCC 691937 QRZLLUZZHPQDIY-GOSISDBHSA-N 448.541 3.194 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(OC)c(I)c2)cc1 1140101 FIRSCPFEXROVLP-UHFFFAOYSA-N 426.206 3.348 0 50 IGAA Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2N2CCOCC2)cc1Cl 1169048 MFLBKFTVOYEZKX-UHFFFAOYSA-N 425.872 3.167 0 50 IGAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 2857598 GQROVWBWXSOFPD-UHFFFAOYSA-N 438.505 3.312 0 50 IGAA CCN(CCn1cccn1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11821425 UZALLYSJKZWVOC-UHFFFAOYSA-N 433.556 3.484 0 50 IGAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cc(C)nn2C)O3)n1 12184277 QSZSDEXHTZDLLJ-AWEZNQCLSA-N 429.933 3.294 0 50 IGAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)Cn1nc(C)cc1C)C2 12186154 WNZHCQQQBAQTJO-LJQANCHMSA-N 433.508 3.382 0 50 IGAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 12191063 NICSADFYWDWIQD-LJQANCHMSA-N 433.556 3.155 0 50 IGAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCN(C4CCCC4)CC3)c2C)n1 12217911 JAHRSMUBYZIKFF-UHFFFAOYSA-N 446.555 3.347 0 50 IGAA CCOc1ccccc1CN1CCC2(CC[C@H](CNC(=O)c3cc(C)nn3C)O2)CC1 14881100 COGVWRINLOSBON-HXUWFJFHSA-N 426.561 3.071 0 50 IGAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 14980728 RXAVXRVGCSHRKU-HNNXBMFYSA-N 441.958 3.027 0 50 IGAA CC(=O)c1cccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 16362810 VSMXVGGDUGQNLM-UHFFFAOYSA-N 434.583 3.013 0 50 IGAA CCN1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 16393516 NKLYJFJZJOVDGE-UHFFFAOYSA-N 435.977 3.008 0 50 IGAA COc1ccc(CCN(C)Cc2nc(Cc3ccc(OC)c(OC)c3)no2)cc1OC 23128694 UMHCLODJRXUHAF-UHFFFAOYSA-N 427.501 3.369 0 50 IGAA O=C(c1ccc2c(c1)OCO2)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777558 DXALAWBUKWWXKQ-UHFFFAOYSA-N 444.451 3.201 0 50 IGAA O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1coc(C2CCOCC2)n1 170598449 GSJUICAEVKKOLT-SFQUDFHCSA-N 427.482 3.035 0 50 IGAA COc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(=O)c2ccccc2)cc1 245227700 LYODWEBUBQTHHF-RCTKEMKKSA-N 428.488 3.353 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCCN12 249691144 LCYCYKCRGGTNNL-XUJKJYMVSA-N 435.911 3.186 0 50 IGAA O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1cn(Cc2cccs2)nn1 463879083 NVTWSTAKTDKSJQ-UHFFFAOYSA-N 432.513 3.277 0 50 IGAA CCc1ccc([C@H](NC(=O)C(=O)N(C)[C@H]2CS(=O)(=O)c3ccccc32)C(C)C)cc1 1875253418 JGVSQKPKXAEDEM-PZJWPPBQSA-N 428.554 3.049 0 50 IGAA Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H](C(=O)O)c1ccc(F)cc1 2325876810 BRTAJCPWOAMCCR-INIZCTEOSA-N 430.295 3.184 0 50 IGAA CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c(C=O)cc2OC)cc1 1128798 NZBRNLGRZLPPEG-UHFFFAOYSA-N 436.258 3.464 0 50 IGAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(OC)c(Br)c1 1176762 HQTIXVDYPUNXGR-OAHLLOKOSA-N 425.304 3.281 0 50 IGAA O=C(CCC1CCN(C(=O)COc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 11840862 NERASBGDHYKBJC-XMMPIXPASA-N 449.595 3.475 0 50 IGAA COc1ccccc1[C@@]1(CC(=O)N2CCC(Cc3ccccc3)CC2)CC(=O)N(C)C1=O 12040414 YCJAUCGOZNIMDH-SANMLTNESA-N 434.536 3.193 0 50 IGAA Cc1c(C(=O)NCc2ccsc2)sc2ncnc(NCCCN3CCCC3=O)c12 12148823 JOWISHWXLMQCJO-UHFFFAOYSA-N 429.571 3.416 0 50 IGAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 12280758 CVNOGGHATRDTOU-UHFFFAOYSA-N 441.535 3.455 0 50 IGAA NC(=O)C1CCN(C(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)CC1 12848210 NOEBSLRHACIGLZ-JKSUJKDBSA-N 439.413 3.020 0 50 IGAA O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)C[C@H](NCCCn1ccnc1)CC3 15068915 JFBPXXBCWPESAD-GOSISDBHSA-N 437.544 3.379 0 50 IGAA Cc1cc(C)cc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 67629549 NVYFCWDIXAWAIS-UHFFFAOYSA-N 429.586 3.094 0 50 IGAA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccccc1OCC(=O)O)CC(=O)O2 253411934 PIWTYMGNMPPAFH-LJQANCHMSA-N 449.459 3.009 0 50 IGAA biogenic COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 257371821 RPSDHZIBTGYTAW-FQFSJJOFSA-N 446.503 3.054 0 50 IGAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c3CO2)cc1 263616905 LDCVHMBFAGWANK-QHCPKHFHSA-N 447.539 3.137 0 50 IGAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)C1 469883126 HGESHGQTWCFFNB-INIZCTEOSA-N 437.949 3.411 0 50 IGAA COc1cc(CN(C)Cc2cccc3cnccc23)ccc1OCC(=O)N1CCOCC1 952974885 CNOKRHKFILZESD-UHFFFAOYSA-N 435.524 3.113 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NN2Cc3ccc(Br)cc3C2=O)CC1=O 2325819697 NFSFUPZLJJWKAN-CZUORRHYSA-N 442.313 3.046 0 50 IGAA CC1=C(C(=O)N2CCC([S@@](C)(=O)=NC(=O)CCc3nc(C(C)C)no3)CC2)CCC1 2332238809 MTIWKOZGNKYRFV-SSEXGKCCSA-N 436.578 3.241 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1Cl 823055 CDBXSRLWIQXIFX-XGHXRCDJSA-N 442.924 3.353 0 50 IGAA FC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1 848757 ZBVDVDKTYVRKJV-UHFFFAOYSA-N 437.344 3.080 0 50 IGAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C(=O)CSc2ccccn2)CC1 11665424 YJOJMRSWTFISFB-UHFFFAOYSA-N 435.553 3.415 0 50 IGAA CN(C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1)[C@@H]1CCOC1 12247970 XWTMCYHHHNOFOQ-JOCHJYFZSA-N 437.540 3.035 0 50 IGAA COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1 20119242 LRVCLHASEWZTEJ-NRFANRHFSA-N 425.573 3.499 0 50 IGAA O=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N1CCC(Cc2ccccc2)CC1 67822114 RZHLJEWOISEAQF-JOCHJYFZSA-N 441.522 3.137 0 50 IGAA O=C(NC[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 101829271 NJLUYNNBNPHMEF-YPAWHYETSA-N 432.568 3.325 0 50 IGAA C[C@H](Cc1ccccc1)n1cccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463122528 FNVVNVJZQUBKMX-QPPBQGQZSA-N 445.563 3.492 0 50 IGAA Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(N=c3cc[nH]cc3)cc2)s1 469172477 UQYGNZZMRZVVFM-QGZVFWFLSA-N 425.539 3.166 0 50 IGAA COC(=O)CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 1875312411 BFISYCGKFNAIRN-UHFFFAOYSA-N 445.522 3.302 0 50 IGAA O=C(Nc1ccc(Cl)c2ccoc12)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325747555 MIAKIYXDHJMETN-UHFFFAOYSA-N 429.835 3.148 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 862921 QJHLUOAYVSWRHB-LBPRGKRZSA-N 434.374 3.053 0 50 IGAA Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2137179 STEXEUVMBCWSQH-FQEVSTJZSA-N 435.476 3.171 0 50 IGAA biogenic Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(Br)cn2)c1 9557746 QHISDRDRNKLKEX-UHFFFAOYSA-N 446.330 3.011 0 50 IGAA O=C(Nc1cnn(CC(=O)N2CCCC[C@H]2c2ccccn2)c1)c1ccc2c(c1)OCO2 12023523 JYFRPOYAJZOMOG-IBGZPJMESA-N 433.468 3.013 0 50 IGAA COc1cc(CN2C(=O)CC[C@@H]3CN(Cc4ccncc4)CC[C@@H]32)cc(OC)c1OC 12134799 ZMZWWDMJLDHQMW-UXHICEINSA-N 425.529 3.121 0 50 IGAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12201101 CMNRVRIVDDFIIC-ZDUSSCGKSA-N 427.931 3.472 0 50 IGAA COc1cc(-c2n[nH]cc2CN2CCCC[C@H]2CCN2CCOCC2)cc(OC)c1OC 12445327 PXTADWUTFWLFKS-FQEVSTJZSA-N 444.576 3.179 0 50 IGAA O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 14967460 USJTUISRJXQXDC-AREMUKBSSA-N 448.542 3.440 0 50 IGAA Cn1cc(CN(CCO)[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 14975872 GKSRAKRAFZIXCO-JOCHJYFZSA-N 431.602 3.116 0 50 IGAA CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 15822456 AOYSYQKGZVIGMA-UHFFFAOYSA-N 438.556 3.194 0 50 IGAA CCNC(=O)[C@@H]1C[C@H](NC2C3CC4CC(C3)CC2C4)CN1Cc1cccc(OC)c1OC 19300184 ARYOMYOWNBEUBG-CEFNLRGQSA-N 441.616 3.197 0 50 IGAA COc1ccc(Br)cc1CN1CCN(C(=O)c2cccc(OC)c2OC)CC1 19567328 RWYUQTMLUXKGET-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA COc1ccc(Cc2noc(CN(C)CC3(N4CCOCC4)CCCCC3)n2)cc1OC 20539985 AYIYTQRDNBDFOW-UHFFFAOYSA-N 444.576 3.145 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccc(Cl)cc1 32577611 VETUAKACEQTRHX-CTNGQTDRSA-N 437.918 3.114 0 50 IGAA O=C(NCCCNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1cccc(O)c1 110016011 DLQWOGAOFUXZQT-VKFLQFAXSA-N 435.362 3.362 0 50 IGAA CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCC(=O)NC2CCCCC2)C1(C)C 170602173 OREMYWSBWMWWPB-SBUREZEXSA-N 439.597 3.040 0 50 IGAA COC(=O)CC1CCN(C(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)CC1 238882200 CRWBBHPMGOVYQV-WGSAOQKQSA-N 425.529 3.005 0 50 IGAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(c3ccccc3)CC2)[nH]n1 299772445 XZOYAGZTAMAYJZ-JOCHJYFZSA-N 449.599 3.199 0 50 IGAA CC(=O)N[C@](C)(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccc(S(C)(=O)=O)cc1 430319969 NPVKQJIBCVJPRR-NRFANRHFSA-N 443.550 3.204 0 50 IGAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC1)C2 463533671 FLFPIVIZEHWAMG-QMHKHESXSA-N 448.519 3.448 0 50 IGAA Cc1nn(Cc2ccccc2)c(Cl)c1CN1C(=O)C(=O)N(CCc2cccs2)C1=O 800830872 LNZICQSHWRWFCF-UHFFFAOYSA-N 442.928 3.488 0 50 IGAA C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C1=O 836797843 CFUPQDTTYPYTGX-RUZDIDTESA-N 428.492 3.251 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccccn3)CCN(Cc3ccccc3)CC2)o1 1776111883 VYWOUDNRARIUEB-UHFFFAOYSA-N 447.535 3.289 0 50 IGAA CC(C)c1nnc(N2C[C@@H](C(=O)NC3(CN4CCCCC4)CCCCC3)CC2=O)s1 1857737297 GPAGZYALZZHYNO-KRWDZBQOSA-N 433.622 3.319 0 50 IGAA O=C(NCc1ccnn1CCc1ccccc1)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1875265298 WJIDZMKZKGKUOM-UHFFFAOYSA-N 441.491 3.409 0 50 IGAA COc1cc(NC(=S)NC(=O)c2c(OC)cccc2OC)ccc1NC(=O)C(C)C 1112590 FRALOWYDEREKEB-UHFFFAOYSA-N 431.514 3.434 0 50 IGAA CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC 3875921 SCABKEBYDRTODC-UHFFFAOYSA-N 434.570 3.300 0 50 IGAA biogenic CC(=O)N1c2ccccc2[C@H](N(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc2)C[C@@H]1C 8992424 MUSCRCXPABTKBL-MHECFPHRSA-N 448.567 3.103 0 50 IGAA Cc1ccc(C2(c3noc(CN4CCC[C@H](C(=O)N5CCOCC5)C4)n3)CCCC2)cc1 11813646 MURGBPXGFAVRQS-FQEVSTJZSA-N 438.572 3.309 0 50 IGAA CN(C[C@H](O)COc1ccc(OC[C@@H](O)CN(C)c2ccccc2)cc1)c1ccccc1 13575273 KVPLOYFYOOGJGC-ZEQRLZLVSA-N 436.552 3.439 0 50 IGAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1cnn(-c3ccccc3)c1)CC2 14740922 VGBDVQHPEBPVCX-UHFFFAOYSA-N 440.551 3.377 0 50 IGAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16400311 STTHZJUMLUCUNG-OALUTQOASA-N 426.494 3.044 0 50 IGAA COc1ccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@@](O)(C(F)(F)F)C2)cc1 16448507 SQBGGYZSCPEJKU-FQEVSTJZSA-N 436.386 3.244 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)c2)cc1 101877671 QLKXHLLJWCBSLE-HQAQVQPGSA-N 445.471 3.437 0 50 IGAA CCOc1ccccc1[C@H](CC(=O)NC[C@H](O)c1cccc(Br)c1)NC(C)=O 225737066 HYUYTBOZNJTDHE-OALUTQOASA-N 449.345 3.265 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc1 238899355 FXWWUJWKYUULRA-LBVMUVSTSA-N 429.586 3.229 0 50 IGAA COc1ccc(OC)c(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 263619339 YEYAPDBDGYOMIE-INIZCTEOSA-N 435.528 3.480 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)C2=O)cc1 409414601 NIIYAGOWCIKFTN-CEMLEFRQSA-N 440.588 3.396 0 50 IGAA COc1ccc2nc(CCN(C)S(=O)(=O)c3ccc(-c4n[nH]c(C)c4C)o3)[nH]c2c1 952976267 QWJAYPSSZQOQBS-UHFFFAOYSA-N 429.502 3.035 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccc(Cl)cc2)C1 1857682144 JIAGTQWZDSJRRQ-JCTONOIOSA-N 434.024 3.212 0 50 IGAA NS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1 1875257191 MKRVOZXMWBKRFW-SFHVURJKSA-N 435.427 3.267 0 50 IGAA O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NC1CC2(CCC(F)(F)CC2)C1 1875353008 UGGDQWRBGVESTP-UHFFFAOYSA-N 434.531 3.383 0 50 IGAA O=S(=O)(NCCCn1cccn1)c1cnc(-c2ccc(Br)cc2)s1 2325880139 WKONBZIPBXLFAE-UHFFFAOYSA-N 427.349 3.138 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)c2cn(-c3ccccc3)cn2)CC1)[C@@H]1Cc2ccccc21 2332238510 BCBFEVCHLLBLFR-XFSFLGPDSA-N 448.548 3.053 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Br 800951 AFDJHXIOALGLQB-UHFFFAOYSA-N 433.287 3.292 0 50 IGAA CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCN(C(=O)OCC)C2 1080992 ZLHDOVXIMWUEHH-UHFFFAOYSA-N 432.498 3.457 0 50 IGAA CC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1127369 UZUIGDSTHJYAKF-GFCCVEGCSA-N 447.376 3.327 0 50 IGAA Cc1ccc2nc(CNC(=O)c3cn(C4CC4)cc(C(=O)NC4CCCCC4)c3=O)cn2c1 11912203 JLLFEDFCAGFNHP-UHFFFAOYSA-N 447.539 3.132 0 50 IGAA COc1ccc(CCNC(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)cc1OC 12027567 BMMTZCWWOQHWSD-UHFFFAOYSA-N 433.468 3.220 0 50 IGAA COc1c(C)cc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)cc1C 12315622 VTVHYFBMCKVFBR-OAHLLOKOSA-N 439.965 3.291 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCCN2CCCCC2=O)C1 12612667 BABVQVOBEVEHDU-XMMPIXPASA-N 432.536 3.333 0 50 IGAA COc1ccc(OCC(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)cc1 14881578 OYHKARBJKCJOBK-GOSISDBHSA-N 425.872 3.304 0 50 IGAA COc1ccc2c(c1)[C@H](CC(=O)N1CCC3(CC1)C[C@H]3C(=O)Nc1ccccc1)C(=O)N2 14882435 LZWWMKLJEOBVMA-PMACEKPBSA-N 433.508 3.388 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 19647365 FORKORSEQQKGKB-UHFFFAOYSA-N 448.522 3.305 0 50 IGAA O=C(c1nc2sccn2c1CN1CCN(c2ccccc2F)CC1)N1CCCCC1 20999388 DDDDYXUQSUTVCL-UHFFFAOYSA-N 427.549 3.483 0 50 IGAA Cc1cc(=O)c(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)nn1-c1ccccc1 216132088 KJKKCNGKECPNKP-OAQYLSRUSA-N 444.535 3.259 0 50 IGAA COc1ccc(-c2noc(CCCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)n2)cc1OC 225417200 GEMVQONVDFUQKH-RTBURBONSA-N 442.560 3.457 0 50 IGAA biogenic COc1cccc(Cc2nc3cccnc3n2C2CCN(C(=O)CCC(=O)N(C)C)CC2)c1 299776973 GLNLXRWLTLGMPP-UHFFFAOYSA-N 449.555 3.063 0 50 IGAA O=C(N[C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1)c1cccs1 1875262063 SDYLZVGIAQLKLO-QUCCMNQESA-N 425.554 3.127 0 50 IGAA Cc1cncc(-c2cn([C@H]3CCCN(C(=O)c4cccc(N5CCCNC5=O)c4)C3)nn2)c1 1875360156 ACWDZVIOPZUZKJ-NRFANRHFSA-N 445.527 3.046 0 50 IGAA O=C(N[C@H](CNC(=O)[C@H]1CCCc2nc[nH]c21)c1ccc2ccccc2c1)c1cccnn1 1875361543 VBIFUDAUCKRNBV-SIKLNZKXSA-N 440.507 3.060 0 50 IGAA C[C@@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)OCO2 2325702954 IERKMWNBJRMAIW-LLVKDONJSA-N 427.438 3.164 0 50 IGAA Cc1cccc2c1CCO[C@H]2C(=O)N[C@@H]1CC[C@H](NC(=O)c2ccnn2CC2CCC2)C1 2325839153 KJZOKEKKHGJIBI-YCRNBWNJSA-N 436.556 3.073 0 50 IGAA O=C(Cc1nsc2ccccc12)Nc1n[nH]c2c(I)ccnc12 2325839963 KRMAUOYONTVZFC-UHFFFAOYSA-N 435.250 3.353 0 50 IGAA COc1cccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@@H]3CCOC4(CCC4)C3)CC2)c1 2332238936 QHCLNVIEYAGIGA-OKXSDPAFSA-N 448.585 3.274 0 50 IGAA Cc1cc(I)ccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O 682127 RNLYONYFZOLGRL-UHFFFAOYSA-N 444.294 3.248 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCn2ccnc2C)c1 11819445 VJOZNIYTFONKNV-UHFFFAOYSA-N 426.561 3.416 0 50 IGAA CCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)c(=O)cc(C)n1C[C@H]1CCCN1CC 12452792 ITHPRXXXRCXNPP-LJQANCHMSA-N 449.555 3.183 0 50 IGAA Cc1c(CN2C(=O)c3cccc(N4CCN(C[C@H]5CC=CCC5)CC4)c3C2=O)cnn1C 14982337 AEZNUGWFYUAHBB-IBGZPJMESA-N 433.556 3.003 0 50 IGAA CN1CCC(N2CCN(Cc3cnc(-c4cccc5ccccc45)nc3)C[C@@H]2CCO)CC1 20560524 JKZOAGYQXHGKNK-DEOSSOPVSA-N 445.611 3.260 0 50 IGAA O=C(NCCc1ccccc1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 61719481 DCKSEHPFQJKJDV-UHFFFAOYSA-N 426.524 3.367 0 50 IGAA COC(=O)CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 97756699 YFZLTYJMJSODTF-HXUWFJFHSA-N 426.469 3.209 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(F)cc4)ccn3n2)cc1 169775886 VQYIXRDPOVRJEQ-UHFFFAOYSA-N 434.471 3.060 0 50 IGAA O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)N[C@@H]1COc2ccccc2C1 170669321 CCWDFANDKDCXCS-SFHVURJKSA-N 447.520 3.193 0 50 IGAA CN1O[C@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@@H]1c1ccccc1 221617566 YOBHRCYOLKLIKZ-SOUVJXGZSA-N 440.809 3.077 0 50 IGAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239254604 YMADUIMTEXLGIQ-JROKTQBJSA-N 429.314 3.003 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 334160581 HXEIHKHFFOBEJW-AUSIDOKSSA-N 426.561 3.438 0 50 IGAA COc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)CC2=O)cc1 824671541 UKQIQKNLRUPFIY-NRFANRHFSA-N 449.551 3.043 0 50 IGAA COC(=O)CC[C@@H]1CN(Cc2ccc(OC)c3ccccc23)CC[C@@H]1N1CCN(C)CC1 1565514411 LQHDGQPSPVWSEL-QPPBQGQZSA-N 439.600 3.240 0 50 IGAA COC(=O)c1c(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1C 1875257467 DCAMFJLHPVNAFD-ROUUACIJSA-N 445.519 3.339 0 50 IGAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 1174425 WEZGOBAJZSTYTO-UHFFFAOYSA-N 428.441 3.388 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1cccs1)CCN(C(=O)c1cn3ccsc3n1)C2 11784520 ICQNFSMWPHHESF-UHFFFAOYSA-N 437.550 3.289 0 50 IGAA CCN(CC)CCNC(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C 11814450 WNNUHJAUXLHRGB-UHFFFAOYSA-N 441.557 3.412 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 11933835 PICZHCWHSPILGA-HSZRJFAPSA-N 447.553 3.281 0 50 IGAA COc1ccc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)cc1Cl 12004096 FYFMOIUJMNQCSQ-UHFFFAOYSA-N 429.281 3.321 0 50 IGAA C[C@H]1CN(C(=O)[C@H]2CC(=O)c3sc(NC(=O)CC4CCCCC4)nc3C2)C[C@@H](C)O1 12190520 QJWOOURYYMATHZ-IJEWVQPXSA-N 433.574 3.433 0 50 IGAA COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 12864137 UMYFMHJDAZDTIB-UHFFFAOYSA-N 425.504 3.035 0 50 IGAA COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N=C3O)c3ccccc32)cc1 13809993 GSCWAFJHVHVHCG-MSUUIHNZSA-N 425.491 3.380 0 50 IGAA COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(C[C@@H]3CC=CCC3)CC2)C1=O 14881547 ZBSRJTPZSUHZIK-CJFMBICVSA-N 443.563 3.374 0 50 IGAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 35570577 QFAKMJKUEHFWSB-UHFFFAOYSA-N 428.341 3.182 0 50 IGAA COc1cccc(OC)c1C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55153570 DZDSSGHMAFRYPC-SFHVURJKSA-N 427.520 3.270 0 50 IGAA CC(=O)N(Cc1csc([C@H]2CCCO2)n1)S(=O)(=O)c1ccc(Br)cc1 170600441 IJEJUPBEGYYIBI-OAHLLOKOSA-N 445.360 3.495 0 50 IGAA CCCCNC(=O)c1c(NS(=O)(=O)c2cc(Br)ccc2C)nc(C)n1C 170617396 PMGIUWHNMPUNJK-UHFFFAOYSA-N 443.367 3.130 0 50 IGAA COCCn1ccc2c(NC(=O)CC[C@H]3N=C(O)N(Cc4ccccc4)C3=O)cccc21 253535757 CLLAMKZNQHUUDO-HXUWFJFHSA-N 434.496 3.331 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cc(C)cc(C)c2)cc1OC 2907578 CVVKBNHJXMMRMC-UHFFFAOYSA-N 434.558 3.431 0 50 IGAA COc1ccc(-c2nc(CSCC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1OC 4110755 FKRLONZUEAAFDF-UHFFFAOYSA-N 448.541 3.266 0 50 IGAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 9010425 HWRGKIIREFZPTF-AWEZNQCLSA-N 428.341 3.106 0 50 IGAA CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cncs3)C2)c1)Cc1cnn(C)c1 12183972 BDENSEYBBZSJQN-LJQANCHMSA-N 439.585 3.440 0 50 IGAA COc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)cc1OC 12319604 HIMGCRABCPOVSL-LJQANCHMSA-N 425.529 3.257 0 50 IGAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2scnc2C)CC1)c1ccccc1 12744793 ZFMFJTQOHVRBKI-LJQANCHMSA-N 439.541 3.452 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2cn(CCC(C)C)cc(C(=O)NC3CCCC3)c2=O)C1 14885142 ZQQDSAXTLZFDQP-FQEVSTJZSA-N 444.620 3.123 0 50 IGAA COc1ccc2cc(CNC[C@@H]3CCS(=O)(=O)C3)c(OCc3ccccc3F)nc2c1 14994324 CYHPFRSYWAWVHF-INIZCTEOSA-N 444.528 3.486 0 50 IGAA COCCCn1c(CN(C)CCOc2ccccc2)cnc1S(=O)(=O)C1CCCC1 20167404 OITCUUKLSHIBJS-UHFFFAOYSA-N 435.590 3.147 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(F)c1 52595913 SPJULCRPRWBUBR-XLIONFOSSA-N 428.533 3.200 0 50 IGAA O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55341066 STZSENBBYQRXOR-IBGZPJMESA-N 425.504 3.024 0 50 IGAA CC(=O)Nc1cccc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778000 RPALEQYYUGZIEV-LJQANCHMSA-N 443.467 3.041 0 50 IGAA COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)c1c(C)cccc1C 170598312 APJQWPCRPKGDRA-KRWDZBQOSA-N 442.331 3.267 0 50 IGAA CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 231420303 FXEJMMHYMYFULQ-UHFFFAOYSA-N 446.150 3.219 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]1[C@H]1CCCN12 247854321 CAJNLWNSIOWMER-QNGCPFJASA-N 449.938 3.494 0 50 IGAA CCCS(=O)(=O)c1ccc(S(=O)(=O)NC2(c3nc(C)cs3)CCCC2)cc1 253426738 ONRFNVZFTMZRPP-UHFFFAOYSA-N 428.601 3.383 0 50 IGAA C[C@H]1CN(c2nc3ccccc3nc2N2CCC[C@H](c3nnc4n3CCC4)C2)C[C@@H](C)O1 301851131 BGGHCYCPZFWMTA-KSZLIROESA-N 433.560 3.165 0 50 IGAA Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)o2)c(C(=O)N[C@H](C)c2ccccc2)cc1F 793880854 HJYROKSGTGNLDH-CYBMUJFWSA-N 445.472 3.118 0 50 IGAA O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](O)c1cccc(C(F)(F)F)c1 797228523 QUXUYVPKJKLYRC-HOCLYGCPSA-N 437.336 3.314 0 50 IGAA C=CC(=O)NCc1cn(-c2cccc(CNC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2)nn1 1875383218 LMLKOXOGCQCMKC-OAHLLOKOSA-N 435.553 3.186 0 50 IGAA CCOc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)cc1 8768149 NWUAOLGTSRGYBI-MRXNPFEDSA-N 427.931 3.245 0 50 IGAA COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)cc1CSc1nc2ccccc2[nH]1 9504385 YLUDXVPATJVICU-HKUYNNGSSA-N 435.509 3.275 0 50 IGAA Cc1ccc(OCC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccoc3C)C2)cc1 11785418 DCCWHKDXEYNFHX-UHFFFAOYSA-N 433.508 3.494 0 50 IGAA O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2 12243618 ARAXDWQZQYKHLF-QHCPKHFHSA-N 443.551 3.259 0 50 IGAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ccccc3F)C2)c1 14748691 VYSHBVMJRAIUEM-HXUWFJFHSA-N 428.504 3.360 0 50 IGAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 15721810 VRAQFWSWKRNOGU-VXKWHMMOSA-N 434.492 3.476 0 50 IGAA in-vitro Cc1cc(N2CCN(CCO)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21790469 UUHHOHUIVQCNIB-UHFFFAOYSA-N 439.869 3.491 0 50 IGAA CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Cl)cc3)c(=O)c2O)CC1 96173250 UPJZLOCUUOIMNC-UHFFFAOYSA-N 433.936 3.308 0 50 IGAA COc1cccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)c1 100470345 PYZKJUDHBFUFPJ-INIZCTEOSA-N 449.326 3.462 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 229899554 IVNFQVHFWRUKIF-FBAVSBLXSA-N 442.302 3.425 0 50 IGAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)NCCc2c[nH]c3ccccc23)CC1 238901096 KUVIGVRNNXOUSM-IYARVYRRSA-N 429.524 3.438 0 50 IGAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 245256966 UUFFENCMWRFRMT-KKLQWCBXSA-N 432.524 3.198 0 50 IGAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@H]4[C@@H]3C2=O)cc1 245312066 SBHPYWUIZUXOQZ-TUFLPTIASA-N 436.895 3.378 0 50 IGAA CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1Cc2ccccc2N(C)C1 444538261 BYCAMOYZONPFHK-JPYJTQIMSA-N 432.568 3.276 0 50 IGAA O=C(c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N1CCO[C@@H](c2nn[nH]n2)C1 732091837 SFAJYIXFXUGGKI-AFRXXKALSA-N 442.479 3.432 0 50 IGAA O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2F)CC1 1462995923 NMNDNJZJYPXQBM-UHFFFAOYSA-N 434.439 3.404 0 50 IGAA CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O 2325823701 BAQBPMAIHAMQAR-VDGAXYAQSA-N 444.915 3.228 0 50 IGAA COc1cc2c(cc1OC)C1(CCN(C(=O)Cc3cn4ccsc4n3)CC1)OCC2 2356155690 JJKSCRSBCHKFQJ-UHFFFAOYSA-N 427.526 3.046 0 50 IGAA Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccccc3)c(=O)c2c1C 1099205 MPRBKGYWBSPZGA-INIZCTEOSA-N 429.567 3.451 0 50 IGAA O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 1129235 KYXCNGNFHKLHNJ-FDDCHVKYSA-N 446.459 3.035 0 50 IGAA COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C(=O)O)C(C)C)cc1 8878481 JLVUNZNHEDANQB-VXKWHMMOSA-N 442.512 3.479 0 50 IGAA biogenic COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@H](C(=O)O)C(C)C)cc1 8878483 JLVUNZNHEDANQB-FCHUYYIVSA-N 442.512 3.479 0 50 IGAA biogenic O=C(Cc1ccccc1)Nc1cc(C(=O)O)c(NC(=O)Cc2ccccc2)cc1C(=O)O 9310951 OJVKDQBWFVOYFA-UHFFFAOYSA-N 432.432 3.445 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1cc3ccccc3[nH]1)CCN(C(=O)C(=O)CC(C)C)C2 11838840 WIPLLMDPGVETDW-UHFFFAOYSA-N 432.524 3.301 0 50 IGAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)nn1 11969207 VBBZNRJDBRAAKX-INIZCTEOSA-N 425.455 3.496 0 50 IGAA COc1cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1F 12159226 SZCNYPGCOYAWNU-NRFANRHFSA-N 441.507 3.204 0 50 IGAA O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)N1 12204983 WWLVLQGCNFFQGB-XMMPIXPASA-N 441.478 3.418 0 50 IGAA C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 12383914 NJJRGSWCMCDAQJ-LJQANCHMSA-N 438.549 3.464 0 50 IGAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](c3ccccc3C)C2)CC(=O)N(C)C1=O 12451604 QFONGCZUIQFAPF-SIBVEZHUSA-N 434.536 3.426 0 50 IGAA Cc1ccc2c(c1Br)C(=O)C(=O)N2CN1CCN(c2ccccc2F)CC1 20506564 WMFLFIVFGGKHAA-UHFFFAOYSA-N 432.293 3.206 0 50 IGAA CCCN1CCC(CC(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 55154366 UTLYRVOJJWTXLN-DEOSSOPVSA-N 430.612 3.451 0 50 IGAA C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C 225499418 SSDYKAPJHGKOIK-RXVVDRJESA-N 443.588 3.229 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2cccc(I)c2C(=O)O)c(F)c1 225564723 IWZVHCGYTQGNGT-UHFFFAOYSA-N 435.214 3.238 0 50 IGAA COCCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2cc(Cl)ccc21 230276030 ONMCKUXAHOYROI-CVEARBPZSA-N 425.916 3.362 0 50 IGAA biogenic CN(C)C(=O)c1ccc(NC(=O)CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@H]32)cc1 240244196 DKUNDGCAEALTBH-SXLOBPIMSA-N 429.561 3.302 0 50 IGAA CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCc2ccccc21 248236001 CDUQYJBQQPZCHL-AQOAWAETSA-N 439.581 3.376 0 50 IGAA CCC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1nn[nH]n1 467652936 IQEYSHWDBOOWPA-HXUWFJFHSA-N 431.500 3.261 0 50 IGAA CS(=O)(=O)N1CCC(c2nnc3sc(CSc4ccc(Cl)cc4)nn23)CC1 1772491132 AWEDVPSDZDUGBF-UHFFFAOYSA-N 444.007 3.271 0 50 IGAA COCCn1c(NC(=O)c2cccnc2Oc2ccccc2C(N)=O)nc2ccccc21 2325738542 QAYBQSGKEDCCBM-UHFFFAOYSA-N 431.452 3.221 0 50 IGAA O=C(Nc1cnn2cccnc12)C(=O)N1CCCC[C@H]1c1ccc(Br)cc1 2325818478 FEIVABVHLMDZJB-INIZCTEOSA-N 428.290 3.184 0 50 IGAA COc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](NC(C)=O)c1ccccc1)C[C@H]2C 2325850535 AVMYMOAYFYYNOC-XORNHQRDSA-N 435.524 3.014 0 50 IGAA O=C(Nc1cncs1)N[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 2325895282 RBGGPIQWWAPWFB-GFCCVEGCSA-N 435.435 3.414 0 50 IGAA COC(=O)C1=CN([C@H](CC(C)C)C(=O)OC)C=C(C(=O)OC)C1c1ccc(Cl)cc1 781676 FJJAXKFWHPMMGD-GOSISDBHSA-N 435.904 3.441 0 50 IGAA COC(=O)c1cccc(NC(=O)COc2ccc(I)cc2)c1C 1125659 ZQBRKXJGJMHQJQ-UHFFFAOYSA-N 425.222 3.404 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)cc1 2170371 XUSNEVOQDDNYOR-UHFFFAOYSA-N 430.954 3.295 0 50 IGAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 2326264 XJKWFCOCZLSYKX-UHFFFAOYSA-N 443.934 3.468 0 50 IGAA CN(Cc1ccn(C)n1)C(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 2798941 POYYFKOAJXOMEU-UHFFFAOYSA-N 438.713 3.341 0 50 IGAA COC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC 8619244 OAWAVKASEAYVQK-UHFFFAOYSA-N 430.482 3.417 0 50 IGAA O=C(CCOc1ccccc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccc2)CC1 11880435 XJSVILBFKGDMFU-XMMPIXPASA-N 447.579 3.433 0 50 IGAA COc1ccccc1CCNC1CCN(c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)CC1 11912740 LBMAFJKUOCIRBZ-DEOSSOPVSA-N 437.584 3.093 0 50 IGAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 12075114 LYRXNTZKDOGKED-LJQANCHMSA-N 437.584 3.289 0 50 IGAA COc1cccc2c1OCC(CN1CCC(N3CCC(C(=O)NC(C)C)CC3)CC1)=C2 12440794 USURSNFUOVXZJU-UHFFFAOYSA-N 427.589 3.172 0 50 IGAA Cc1noc(C)c1CC(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 12703444 NRTLPRUDWOORRT-UHFFFAOYSA-N 427.501 3.263 0 50 IGAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3nnc(SCc4ccccn4)n3C)c2)n1 14973962 AVPGGNBXHCOSTD-UHFFFAOYSA-N 447.568 3.294 0 50 IGAA COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)CSc2nc(C)cs2)C3)nn1 14987364 FQJPNWAOQOLPDW-CQSZACIVSA-N 428.539 3.129 0 50 IGAA Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)nn1C 55060615 GPMKZWQMJRPEME-LJQANCHMSA-N 435.494 3.174 0 50 IGAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)COC[C@H]1CCCO1)CC2 241160545 JYCNNEDJSSRMJR-BKSPAHHJSA-N 427.541 3.208 0 50 IGAA Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 253420459 YADPUETTZDIPNY-RDJZCZTQSA-N 431.562 3.182 0 50 IGAA CN1CCC2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1=O 446513656 GTTBREOABKRYQE-KRWDZBQOSA-N 438.355 3.069 0 50 IGAA O=C(NCc1cc2c(s1)CCSC2)C(=O)N(CCCO)[C@H]1CCc2ccccc21 1875259525 BGTWPTSKSGUJME-IBGZPJMESA-N 430.595 3.052 0 50 IGAA COC[C@@H](Oc1cc(F)cc(F)c1)C(=O)N=c1[nH][nH]c2ccc(Br)cc12 2325840181 SJNXCKIGQVLXRF-OAHLLOKOSA-N 426.217 3.058 0 50 IGAA Cc1cc(C)n(CCC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(=O)n1 2356159827 RNWZSICJISRQHV-AREMUKBSSA-N 443.551 3.214 0 50 IGAA Cn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2Cc2ccc(F)cc2)n(C)c1=O 637460 CIEPMQACFQDBIR-UHFFFAOYSA-N 428.464 3.053 0 50 IGAA COc1ccc(C(=O)Nc2nc(N3C(=O)c4ccccc4C3=O)n(-c3ccccc3)n2)cc1 1112053 IIWVUMZJBLGECT-UHFFFAOYSA-N 439.431 3.329 0 50 IGAA O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1ccc(Cl)cc1 1125525 UIBAYMZKEGWOJR-MRXNPFEDSA-N 427.625 3.357 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 4918853 IMIYYZWNILVWSC-WMZOPIPTSA-N 429.590 3.323 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 13552679 FZGPDXOSQWTSON-QGZVFWFLSA-N 447.329 3.273 0 50 IGAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 20598879 OZHAQTUFWUHKIP-DEOSSOPVSA-N 443.551 3.318 0 50 IGAA O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)N1CCN(c2ccccc2F)CC1 169755550 SRSZRCCNNJQRGO-UHFFFAOYSA-N 435.503 3.148 0 50 IGAA CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCC(=O)NC2CCCCC2)C1(C)C 170602172 OREMYWSBWMWWPB-HXOBKFHXSA-N 439.597 3.040 0 50 IGAA CC(=O)N(CCC(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1)Cc1ccccc1 170636116 SHWDFKGCDWQISM-UHFFFAOYSA-N 433.556 3.082 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc1 230070276 FXWWUJWKYUULRA-ZZTDLJEGSA-N 429.586 3.229 0 50 IGAA COc1cc(OC)cc(C2(F)CCN(C(=O)[C@@H]3CN(C(C)=O)c4ccccc4O3)CC2)c1 801718957 WDWNJXRFTOGFPA-QFIPXVFZSA-N 442.487 3.305 0 50 IGAA O=C([C@@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 1775976856 QPUFHTVSZXMPTH-USXIJHARSA-N 438.343 3.362 0 50 IGAA COc1cc(C(=O)N2CC[C@@H](CN(C)C(=O)c3cc(Cl)nc(Cl)c3)C2)cc(C)n1 1875383445 UYBFUVMVBRWTTQ-ZDUSSCGKSA-N 437.327 3.335 0 50 IGAA O=S(=O)(NC[C@@H](CCO)c1ccncc1)c1ccc(OCc2ccccc2)c(F)c1 2325862061 HXKUEBXMEYFWBE-LJQANCHMSA-N 430.501 3.244 0 50 IGAA CCOc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 824356 MILUHUWZVIUPEG-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA CCCCNS(=O)(=O)c1ccc(OC)c(-c2nnc3c4ccccc4c(C)nn23)c1 2448875 KLTJHVNRXQKMLY-UHFFFAOYSA-N 425.514 3.340 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 6237795 MEYUDJVAWIUSNM-OXRZLYTFSA-N 442.899 3.201 0 50 IGAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 8430334 BAJSSZLDRIUDAR-UHFFFAOYSA-N 447.576 3.041 0 50 IGAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2ccccc2OC(F)(F)F)c1=O 11815348 RNCVGZVSWBOOQW-CYBMUJFWSA-N 439.434 3.398 0 50 IGAA COCc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)o1 12314803 NHGCDUJRTQYQCK-UHFFFAOYSA-N 426.448 3.491 0 50 IGAA Cc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c(=O)[nH]cnc32)cc1 12462109 DFLVMUQOXCEBDN-UHFFFAOYSA-N 431.521 3.489 0 50 IGAA biogenic,in-vitro CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(-n2cnnn2)cc1 14953408 WMMZCDZRFNGASE-LJQANCHMSA-N 438.963 3.342 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@@H](CO)C4)c(C)c23)c1 14989762 XQCVFTWOTKBOJU-MRXNPFEDSA-N 426.542 3.465 0 50 IGAA Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 15008937 BZBOBXOGXPAAQV-MRXNPFEDSA-N 448.614 3.467 0 50 IGAA COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@H](O)CN1CCCCCCC1 15066180 ZCKPIYGIYKCAQX-HSZRJFAPSA-N 444.620 3.375 0 50 IGAA C[C@]12C[C@H](N3CCOCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](N1CCCC1)[C@@H]2O 84397763 YKHDYPFPUAWBIW-QJRNWJQSSA-N 446.676 3.136 0 50 IGAA in-vitro CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C2=C1C(=O)OC2 169764777 CSOKKRIYBLRCDF-QFIPXVFZSA-N 435.480 3.164 0 50 IGAA CCc1nsc(N2CCCN(C(=O)c3c(C)nc4ccc(Br)cn34)CC2)n1 241338552 MBPITFWYWSNYIN-UHFFFAOYSA-N 449.378 3.172 0 50 IGAA COCCn1c(Sc2ccc3nnc(C(F)F)n3n2)nc2cc(Cl)ccc2c1=O 301926986 JWYSIRWNDQAFAM-UHFFFAOYSA-N 438.847 3.223 0 50 IGAA CCOc1ccc(C(=O)NCC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1 490870113 MAFSDIQFFFHKIB-UHFFFAOYSA-N 428.492 3.470 0 50 IGAA C[C@](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)(C(=O)O)c1cccc(Br)c1 776649889 PQGFFLSYHKZVHQ-LHSJRXKWSA-N 445.313 3.456 0 50 IGAA O=C([C@@H]1CCOC1)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952865640 TXQHWPZDGWZRME-OAQYLSRUSA-N 434.536 3.339 0 50 IGAA O=C(NC[C@H](c1cccc(O)c1)N1CCCC1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1875260537 VRLZBIXIFFWFSY-NOZRDPDXSA-N 441.547 3.305 0 50 IGAA Cc1ccn2cnc(C(=O)NCC[C@@H]3CN(c4ncnc5n[nH]cc45)c4ccccc43)c2c1 1875288222 SPCZNQCQJXBQTH-MRXNPFEDSA-N 438.495 3.364 0 50 IGAA COc1ccc(OCc2nc(Cn3cnc4c(nnn4-c4ccccc4)c3=O)cs2)cc1 1875351671 FHAYIVFADYXYQS-UHFFFAOYSA-N 446.492 3.070 0 50 IGAA CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)nc1C 8737849 UTGCJUCQSJBXLO-UHFFFAOYSA-N 434.499 3.418 0 50 IGAA Cn1nnnc1SCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 13839530 KYOHUERLXPIHPQ-UHFFFAOYSA-N 426.546 3.096 0 50 IGAA CN(C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O 14749984 WOWRHHJYOIPCQT-UHFFFAOYSA-N 448.611 3.480 0 50 IGAA CN(C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O)C(C1CC1)C1CC1 14883003 HRMXYEZNUULPDO-HHHXNRCGSA-N 445.563 3.358 0 50 IGAA COC(=O)c1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc1 14957809 ZMKMQPACOIFTHD-LJQANCHMSA-N 430.574 3.252 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1I 16448455 MNKMZUJNOVXRCC-UHFFFAOYSA-N 425.194 3.379 0 50 IGAA Cc1sc2ncc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)n2c1C 16648558 OQXGKCQTBNBAMS-UHFFFAOYSA-N 436.459 3.354 0 50 IGAA CCOc1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)ccc1O 39420877 XYSOBJFHFCBAGW-JOCHJYFZSA-N 428.573 3.485 0 50 IGAA COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCOCC3)N(Cc3ccccc3F)C2)cc1 64024282 TWAFHRTYGCIBQZ-IRLDBZIGSA-N 430.545 3.428 0 50 IGAA O=C(CCC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1)NCc1cccc(C(F)(F)F)c1 67879877 AUPUZNUSJZAKQV-GOSISDBHSA-N 439.478 3.009 0 50 IGAA O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)CC1)c1ccccc1 239439046 ZJEXNVFTVWUFNY-ZIIQTJOBSA-N 433.504 3.024 0 50 IGAA CCOC(=O)c1cn(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2cc(F)c(OC)cc2c1=O 253433216 UDODMXWWCWHXNY-UGUYLWEFSA-N 444.503 3.267 0 50 IGAA COC(=O)c1cn([C@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc2c(=O)[nH]nc1-2 263588804 YONOZQKNXKZMGH-LJQANCHMSA-N 441.447 3.345 0 50 IGAA Cc1ccc2nc(CNC(=O)[C@H](C)[C@@H](C)C(=O)NCc3nc4ccc(C)cc4[nH]3)[nH]c2c1 479864190 IDFUXBGCMUTQGJ-HZPDHXFCSA-N 432.528 3.261 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)C[C@H]21 754610100 SSPHOLPQKALSPV-ZJIFWQFVSA-N 441.594 3.058 0 50 IGAA CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CC=C(c2cn(C)c3ccccc23)CC1 1875256399 PGQLCDUWBMAMER-QFIPXVFZSA-N 445.519 3.270 0 50 IGAA CS(=O)(=O)Cc1c(F)cccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 1875260949 BVECXKLILVLMLN-UHFFFAOYSA-N 442.394 3.222 0 50 IGAA COc1cc(Br)ccc1-n1nc(CSC)nc1-c1cc(C)n(CCO)n1 1875349433 WVFFTUQPSGZWNO-UHFFFAOYSA-N 438.351 3.066 0 50 IGAA CCOc1ccc(C(=O)CCC(=O)N[C@H](C(=O)NC)c2ccc(F)c(F)c2)cc1OCC 2325714456 VTLOFOLOQPWZHX-QFIPXVFZSA-N 448.466 3.329 0 50 IGAA CCc1ccc([C@@H](C)C(=O)N=[S@@](C)(=O)C2CCN(C(=O)C3(COC)CC3)CC2)cc1 2332239007 TXALLXXWMQLSBV-ZQHDKMAOSA-N 434.602 3.395 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)CC[C@@H]2CCCCO2)CC1)c1ccc2ncsc2c1 2332239095 WQEDUBBEPHNTTD-NOVUIFNWSA-N 449.598 3.486 0 50 IGAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC/C=C/c3ccccc3OC)cc12 14535373 JYAHBJWWDDCULE-VQHVLOKHSA-N 438.484 3.079 0 50 IGAA CC(C)n1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)cn1 14542399 LAMLZSUXOFBDMF-QFIPXVFZSA-N 439.560 3.062 0 50 IGAA CN(C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O)C(C1CC1)C1CC1 14883002 HRMXYEZNUULPDO-MHZLTWQESA-N 445.563 3.358 0 50 IGAA COc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)cc(C(=O)NC3CC3)c2=O)c1 14883062 YNBWOMIVDUXKFI-UHFFFAOYSA-N 445.519 3.070 0 50 IGAA COc1ccc(CN2CCN(Cc3cccc(OC)c3OC)C[C@@H]2CCO)c(C)c1C 19225962 QJNWQFFHBZBXGJ-QFIPXVFZSA-N 428.573 3.398 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19770555 XFCAYXOLQUVSCS-FQEVSTJZSA-N 429.586 3.105 0 50 IGAA O=C(c1nc2sccn2c1CN1CCC[C@@H](OCc2ccccn2)C1)N1CCCC1 55182522 KQOFZFDKVPJUCH-GOSISDBHSA-N 425.558 3.208 0 50 IGAA COc1cc(Cl)cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1OC 104431887 RDGDRBJICPDYPD-OAQYLSRUSA-N 440.028 3.099 0 50 IGAA COc1cc(/C=C/C(=O)Nc2ccnc(C(=O)N3CCC(O)CC3)c2)cc(Cl)c1OC 170597654 CFBCHZGPQPCQHP-ONEGZZNKSA-N 445.903 3.001 0 50 IGAA Cc1cc(=O)c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(O)o1 198414845 UYMWYWUUBDMVBF-CQSZACIVSA-N 433.251 3.370 0 50 IGAA COc1ccc2c(ccn2CCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c1 206234782 VTFFMSUFWLROHS-OAQYLSRUSA-N 432.480 3.235 0 50 IGAA CN1[C@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 225263988 MQSXZKAMGDKFRW-HOTGVXAUSA-N 431.411 3.063 0 50 IGAA CC(=O)Nc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)cc1 239038765 DWUJVSJNWCYYGP-HJDQGBPPSA-N 447.535 3.195 0 50 IGAA CCN1c2cc(N3CCOCC3)c(F)cc2N[C@@H]2C(C(=O)OCc3ccco3)=C(C)O[C@H]21 252428278 WPHIGVWTKCSZLX-FGZHOGPDSA-N 443.475 3.249 0 50 IGAA C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C1 1875260349 PLHQIBLNUKKQDB-CVDCTZTESA-N 428.598 3.191 0 50 IGAA C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cnn(C2CC2)c1 1875301502 LRSMUOYDNRNJAP-SJKOYZFVSA-N 437.422 3.282 0 50 IGAA C[C@@H](C(=O)NCc1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 784370 VSNOPNDYKKQRAI-KRWDZBQOSA-N 425.510 3.345 0 50 IGAA C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC(C(N)=O)CC1 901317 LDWIUEYSNCAJTO-GFCCVEGCSA-N 438.475 3.367 0 50 IGAA CCOC(=O)c1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(Br)cc1 1464079 QFGBUCMXXTURDZ-UHFFFAOYSA-N 446.253 3.263 0 50 IGAA biogenic COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 9310841 QLSFIVORGCPBGN-PLJYQOKSSA-N 444.487 3.278 0 50 IGAA C[C@@H](Cc1ccc(O)cc1)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 11817667 HCEQSUJHFUAORF-FQEVSTJZSA-N 436.600 3.211 0 50 IGAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1 11996403 YGCSIGITTBMRCJ-OAQYLSRUSA-N 436.556 3.138 0 50 IGAA CN(CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccc2c(c1)Cc1ccccc1-2 12037461 KLQOAWRLGBLDNC-UHFFFAOYSA-N 438.535 3.306 0 50 IGAA Cc1ccc([C@H](C)CCN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 12205639 ZIFXFCCCLGKBPA-QGZVFWFLSA-N 439.535 3.229 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccsc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 15008603 YHVNSYXWFPVLKW-AUSIDOKSSA-N 446.617 3.175 0 50 IGAA CCc1nnc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)cc3)n2C)s1 17097674 SFTSZVZOXGEREZ-UHFFFAOYSA-N 431.591 3.473 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCC(N3CCCCC3)CC2)n1Cc1ccccc1 19299919 SZGLUAVJWPPQKE-UHFFFAOYSA-N 430.618 3.175 0 50 IGAA O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 20045449 YUHRVGJRHOKNGY-UHFFFAOYSA-N 440.487 3.214 0 50 IGAA O=C(C1CCN(Cc2ccccc2F)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20100497 RRNSKXLKMPNTBW-UHFFFAOYSA-N 439.531 3.111 0 50 IGAA O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1Cl 36370374 PJGWXEPEONKWOO-UHFFFAOYSA-N 446.331 3.078 0 50 IGAA O=C(NCc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169758680 AVESBRFGBDOKNT-QHCPKHFHSA-N 444.535 3.323 0 50 IGAA O=C(NCc1ccco1)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225421766 QTBOWLMJYZWVPJ-SJORKVTESA-N 432.480 3.023 0 50 IGAA biogenic CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](OCc3ccncc3)C2)c2ccccc12 225548288 HQBZILKGYNAIFL-SFHVURJKSA-N 425.510 3.173 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCSc3ccccc32)cc1 241684895 QGDLKOJZHIQHCV-RBUKOAKNSA-N 432.567 3.202 0 50 IGAA CC(C)n1c(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)nc2ccccc21 252527481 CQPDWWKQRXSCNI-DJPFJPOOSA-N 429.590 3.002 0 50 IGAA CSCC(=O)N1CCOc2ccc(CN3CCN(C)C[C@@H]3c3ccccc3)cc2C1 299782573 GENHHEXOSSGAKP-JOCHJYFZSA-N 425.598 3.259 0 50 IGAA CC(C)c1csc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 2100540751 OOWXSLWXWLNEGX-UHFFFAOYSA-N 429.590 3.079 0 50 IGAA Cc1nc(C2CC2)sc1C(=O)NC1C[C@@H]2CN(C(=O)c3cn4ccnc4s3)C[C@H]2C1 2325875723 AJNLFSCJDUVDKT-ZIAGYGMSSA-N 441.582 3.319 0 50 IGAA Cn1cnc2cc(C(=O)N3CCC4(CC3)OCCc3c4[nH]c4ccccc34)ccc2c1=O 2356162032 UULATYTYNNHYKJ-UHFFFAOYSA-N 428.492 3.119 0 50 IGAA CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)cc1 1136633 RGDQLDJIEKNCEX-UHFFFAOYSA-N 445.518 3.497 0 50 IGAA CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cc1 2738170 XXQHSMBQFLQODW-UHFFFAOYSA-N 442.497 3.327 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 5608798 JNRHNGGTJOBXHL-DHIUTWEWSA-N 446.503 3.336 0 50 IGAA COc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 12164872 DWIDYGTZYITXIQ-IBGZPJMESA-N 433.556 3.155 0 50 IGAA CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](COC)C3)c2n1Cc1cccnc1 12242168 ILFJUDXMUXBDRZ-IBGZPJMESA-N 449.555 3.499 0 50 IGAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 12315653 VFEOQSFEOIWUJU-KRWDZBQOSA-N 434.533 3.332 0 50 IGAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)c1 12442163 SDPIXPFWGOIFGS-SFHVURJKSA-N 438.524 3.302 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 14879908 FKKNMARMCGCZEH-HXOBKFHXSA-N 449.498 3.087 0 50 IGAA Cc1c(C(=O)NCC2CCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 14886761 OUZLXABHKLDHQO-OAHLLOKOSA-N 436.603 3.156 0 50 IGAA O=C(/C=C/c1ccccc1Cl)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 20449088 GLICQDAJARJLII-MFUKYNBTSA-N 426.948 3.480 0 50 IGAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)c1 54146956 XHWORQOTPPJZKD-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]2CCO)CC1 104625397 PGRHEVVSCBBTEV-HSZRJFAPSA-N 446.039 3.472 0 50 IGAA Cc1cc(C)c(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c(C)c1 263618090 REMHCWIFPSXSMH-UHFFFAOYSA-N 434.471 3.358 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cc1csc(-c2ccccn2)n1 409414509 SYZNSNUASNRLGE-GHTZIAJQSA-N 428.602 3.487 0 50 IGAA biogenic Cc1cc(-c2cc(-c3nc(CS(=O)(=O)NC4CC4)no3)c3c(C)noc3n2)c(C)o1 445689511 JZBKYODTYUOJNC-UHFFFAOYSA-N 429.458 3.040 0 50 IGAA O=S(=O)(N[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 1775988512 PEMVLNFZRIYQFO-LSDHHAIUSA-N 426.395 3.319 0 50 IGAA O=C(c1cc2c(-c3nn[nH]n3)c(F)ccc2[nH]1)N1CCC(OCc2ccc(F)cc2)CC1 1875341378 QPYISFGWAPJAQM-UHFFFAOYSA-N 438.438 3.448 0 50 IGAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 792502 QOSXKEBMXWALSX-UHFFFAOYSA-N 428.341 3.106 0 50 IGAA Cc1c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(=O)n(-c2ccccc2)n1C 850863 REXDKCLLWVXLQF-UHFFFAOYSA-N 434.477 3.004 0 50 IGAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(C)cc2Br)c1 945337 RQJPPTHOCKAONX-UHFFFAOYSA-N 436.258 3.348 0 50 IGAA CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 1071109 HRKULXIIBLHOJD-UHFFFAOYSA-N 426.951 3.279 0 50 IGAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc(Br)c2)cc1 2852319 MAJJAFMRASWNAX-INIZCTEOSA-N 437.315 3.076 0 50 IGAA COc1ccc(OC)c(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 8732251 KYBVJJCJBDPOCS-UHFFFAOYSA-N 425.510 3.417 0 50 IGAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2cc(CC(C)C)on2)C3)nn1 11965811 OHPFNMRTFPQGGU-INIZCTEOSA-N 426.448 3.211 0 50 IGAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1=O 12183796 GMXGFIMNNUKKBJ-LJQANCHMSA-N 444.620 3.297 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCC(c1ccccc1)c1ccccc1 12573853 OEODMARRUVIZIW-RUZDIDTESA-N 427.548 3.325 0 50 IGAA Nc1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(N2CCCCC2)n1 20018808 SMVLLCWSCRQDHM-UHFFFAOYSA-N 443.599 3.351 0 50 IGAA CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCC2 20607852 PZFIOJMPPFNKOL-ZIAGYGMSSA-N 432.542 3.307 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)[C@H](c1ccccc1F)N1CCOCC1 170602463 FOIXYSUFAAVNIR-XLIONFOSSA-N 435.540 3.105 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4cc(OC)ccc4OC)ccn3n2)cc1 263617135 MENZKCFPTVZMPI-QFIPXVFZSA-N 435.480 3.313 0 50 IGAA COC(=O)N1CCc2cc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)ccc21 2325743211 DAEFTYYCNDCNTH-RZDIXWSQSA-N 427.888 3.470 0 50 IGAA Cc1ccc(CCC(=O)N2CC[C@@H](N(C)C(=O)c3cc(C4CCOCC4)[nH]n3)C2)c(C)c1 2325828913 VGKJJXUYNNAXSE-OAQYLSRUSA-N 438.572 3.226 0 50 IGAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)cn12 2356139240 OMCUBJMDVTWPJI-SFHVURJKSA-N 426.542 3.184 0 50 IGAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CN1Cc1ccncc1 2356165876 JBUVYGSQIYJBOX-IBGZPJMESA-N 444.535 3.002 0 50 IGAA O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)nn1 11910896 FADXFKGAZLADIK-MRXNPFEDSA-N 431.924 3.170 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCC2=NNC(=O)CC2)CC1 12708466 JMBQEZPTCWSTGX-UHFFFAOYSA-N 427.545 3.227 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC 23374880 CWELYUUSTIQUIL-QFIPXVFZSA-N 428.573 3.214 0 50 IGAA CC(C)(C)c1ccc(C2(CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CCC2)cc1 170605136 AAVWLOVOQCMJOJ-UHFFFAOYSA-N 427.570 3.020 0 50 IGAA O=C(O)[C@H]1[C@H](C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCCC3)[C@H]2CC[C@H]1O2 239025619 BWYKSWIFOBPEPC-DTTOXWODSA-N 432.542 3.070 0 50 IGAA COc1ccc(C(=O)N2[C@H](CC(=O)Nc3ccccc3C)C(=O)N[C@H]3CCCC[C@H]32)cc1 239358369 NDZHAQDFOVTZMA-BHDDXSALSA-N 435.524 3.284 0 50 IGAA CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)COc3ccc(C(N)=O)cc3)cccc21 253426426 OLBTULRMIAYOGT-UHFFFAOYSA-N 439.512 3.168 0 50 IGAA Cc1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)o1 263616109 HCSQLDDBCMVEGO-JOCHJYFZSA-N 448.523 3.225 0 50 IGAA O=C(c1cc2ncccn2n1)N1CCOc2ccc(CN3CCc4sccc4C3)cc2C1 299763939 ZFAGKJVCINAIOB-UHFFFAOYSA-N 445.548 3.384 0 50 IGAA COc1cccc(OCCN2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)c1 482060534 KTRLNJJTSMDXKZ-UHFFFAOYSA-N 432.524 3.297 0 50 IGAA CNC(=O)CN(C[C@@H](c1ccccc1)N1CCC(C)CC1)C(=O)c1nc[nH]c1C(C)(C)C 1875388073 LVGAYWKBJADFFA-FQEVSTJZSA-N 439.604 3.369 0 50 IGAA COCCOc1cc(O)cc(C(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)c1 2356156373 YYLAJMXMWCZBIQ-UHFFFAOYSA-N 427.497 3.130 0 50 IGAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1I 2861746 XAKWYUILUKQBEK-UHFFFAOYSA-N 444.294 3.102 0 50 IGAA C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 2875355 YOCAYQIJCSOFCQ-OAHLLOKOSA-N 449.960 3.369 0 50 IGAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(c3ccccn3)CC2)c(C)c1 12156068 WGVOJLBDYRNTNM-JOCHJYFZSA-N 432.568 3.290 0 50 IGAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)c1=O 12217677 CHINAEXYOHSXDJ-SFHVURJKSA-N 438.450 3.388 0 50 IGAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2ccc(C)o2)C3)cc1 14540227 ZNKQIKUTRCVUDS-UHFFFAOYSA-N 434.540 3.486 0 50 IGAA CCn1ccc(C(=O)Nc2sccc2C(=O)NCCc2ccc(OC)c(OC)c2)n1 17095904 XRYQXZZLBJAJMF-UHFFFAOYSA-N 428.514 3.207 0 50 IGAA COc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CC[C@H](C)C2 17097941 OBAGHYHXDIPDEW-LBPRGKRZSA-N 432.498 3.174 0 50 IGAA Cc1nc2sccn2c1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55166235 HNHFVSUKGVDYHR-QGZVFWFLSA-N 427.549 3.270 0 50 IGAA COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2 66066132 LGLHCXISMKHLIK-UHFFFAOYSA-N 445.527 3.314 0 50 IGAA Cc1ccc(N(CC(=O)N2CCCCC2)Cc2noc(CNC(=O)OC(C)(C)C)n2)cc1 225721627 NVEBORZWMMJKQF-UHFFFAOYSA-N 443.548 3.422 0 50 IGAA O=S(=O)(c1cccc2cncc(Br)c12)N(CCO)c1cccc(F)c1 240465815 GAKZDQRCWFVDRX-UHFFFAOYSA-N 425.279 3.324 0 50 IGAA COC(=O)c1ccc(OCCNC(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1 782722845 OIHHKSOLPIBNHY-ROUUACIJSA-N 447.532 3.035 0 50 IGAA O=S(=O)(N[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 1775988511 PEMVLNFZRIYQFO-HUUCEWRRSA-N 426.395 3.319 0 50 IGAA Cc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c2ccccc2n1 1875256868 RYUANUCMJFGCAK-NRFANRHFSA-N 427.501 3.152 0 50 IGAA Cc1nn2cc(C(=O)N3CCC[C@H]3CN(C)C(=O)CCc3ccccc3C)nc2s1 1875354312 DCXPUDGSCOKSJF-SFHVURJKSA-N 425.558 3.103 0 50 IGAA O=C(NC1CCN(Cc2cccs2)CC1)c1cnn(-c2cccc(Br)c2)n1 2325741922 SRMBWLQOJNAKPN-UHFFFAOYSA-N 446.374 3.486 0 50 IGAA Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)cc1 1151883 SIYXBTJCBFQPGT-UHFFFAOYSA-N 439.331 3.031 0 50 IGAA O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1)N1CCCCCC1 11791450 YDDLPWWATRVQBQ-HXUWFJFHSA-N 446.551 3.497 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccccc1Cl)CC2 11871164 AKLNHCNBRLRPML-IWAYRVGRSA-N 428.920 3.332 0 50 IGAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 12128980 POTRYSAVILWPNO-QGZVFWFLSA-N 439.947 3.246 0 50 IGAA O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(C(=O)CCOc3ccccc3)CC2)N1 12159834 GYMSKFOTUPNLIW-AREMUKBSSA-N 449.551 3.295 0 50 IGAA COc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)c1 14979308 UQTPQKYLFGDFHY-RUZDIDTESA-N 443.547 3.369 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCc1ccc2ncccc2c1 20599553 RVMGAXCHIXJVGR-RUZDIDTESA-N 438.531 3.395 0 50 IGAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCC[C@H]3O)ccc2Cl)C1 240465952 GBRIIWUWTCNKIC-QGPMSJSTSA-N 428.982 3.042 0 50 IGAA O=C1CNC(=O)c2ccc(C(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)cc2N1 431745011 PJLXFMIQLBDQAT-PKZZPTEUSA-N 437.499 3.396 0 50 IGAA O=C1Nc2ccccc2[C@@H]1C1CCN(c2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 462812981 PLMBVHIGJKNRKO-FQEVSTJZSA-N 426.480 3.473 0 50 IGAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCc3c(F)ccc(F)c3C2)C1=O 752481864 JBDAFKFXQZUBIY-VWLOTQADSA-N 449.457 3.470 0 50 IGAA COC(=O)c1cccc(-c2nc(-c3cn([C@@H](Cc4ccccc4)C(N)=O)nn3)cs2)c1 1875315040 GBTGTULSCYWIPW-IBGZPJMESA-N 433.493 3.124 0 50 IGAA Cc1nc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)c2ccc4nnn(O)c4c2)C3)c2ccsc2n1 1875358906 MZWJSUYXKWEGOL-OAUYIBNBSA-N 435.513 3.087 0 50 IGAA CC(C)(C)OC(=O)NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2093514 RDKPPWARURBAHD-SIKLNZKXSA-N 446.507 3.293 0 50 IGAA biogenic COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 2871545 UMYSHOIBZMNQEM-UHFFFAOYSA-N 426.922 3.361 0 50 IGAA COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)CCc1ccccc1)C(F)(F)F 2872026 DRVVMVZKRNOGNH-NRFANRHFSA-N 438.446 3.268 0 50 IGAA COc1ccc(NC(=O)NCCCN2CCN(c3cc(OC)ccc3OC)CC2)cc1 4759652 GBDQJXCAKRNDQG-UHFFFAOYSA-N 428.533 3.046 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)Cn2ncc3ccccc32)C1 11840249 WVYQZGRNPXLKHC-RUZDIDTESA-N 435.524 3.460 0 50 IGAA CCN1C(=O)C[C@](CC(=O)N(CC2CCC2)C[C@H]2CCCO2)(c2ccccc2C)C1=O 12056986 IUTKRWKAYUKISS-CJFMBICVSA-N 426.557 3.209 0 50 IGAA COc1ccc(F)c(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 19837638 BISOOOXJDZDTPJ-OAQYLSRUSA-N 441.507 3.204 0 50 IGAA CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308892 KOVCWDMRZFGONT-QHCPKHFHSA-N 448.519 3.378 0 50 IGAA Cc1cccn2c(CN(C)CCn3ccnc3)c(C(=O)N(C)CCc3ccccc3)nc12 20781914 XKMCFLFEQFJEFY-UHFFFAOYSA-N 430.556 3.286 0 50 IGAA CCOc1ccc(CN2CCN(Cc3cccn3-c3nccs3)C[C@H]2CCO)cc1 104320195 IDUIEPVTHVMDPL-HXUWFJFHSA-N 426.586 3.401 0 50 IGAA COc1cc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)cc(OC)c1OC 169754179 QIXXGUNSIOWRIP-CQSZACIVSA-N 428.514 3.173 0 50 IGAA O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 230006108 ALETUIYAARVBEA-ZLGUVYLKSA-N 432.476 3.325 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 253387493 ZHFGCXNCOKZGMK-LDVJMBRRSA-N 430.504 3.181 0 50 IGAA COC(=O)c1cn(-c2cccc(-c3cc(C(=O)O)c4ccccc4n3)c2)cc2c(=O)[nH]nc1-2 253408775 LBHKLSKCWBZDIB-UHFFFAOYSA-N 440.415 3.365 0 50 IGAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cccc(Br)c4)c3CO2)cc1 263616048 GROGQFNHKVZJTN-GOSISDBHSA-N 443.301 3.251 0 50 IGAA O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c(O)c(Br)c1 436752850 YVSJZFKIHPCUBS-UHFFFAOYSA-N 446.139 3.048 0 50 IGAA CCn1nc(C)c([C@H](C)NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1C 824568745 RGZAYRXSJRILER-HNNXBMFYSA-N 442.560 3.267 0 50 IGAA Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3n[nH]c(N4CCOCC4)n3)cc12 1875331963 HEABADUCKHGQPF-UHFFFAOYSA-N 443.920 3.256 0 50 IGAA Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 1119599 DHNONGBESVWBRK-UHFFFAOYSA-N 433.896 3.268 0 50 IGAA O=C(COc1ccc(Br)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 1203037 IJVGOJMSKGQGRX-UHFFFAOYSA-N 437.721 3.466 0 50 IGAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(I)cc1 1466559 RFVSOCQOAPVTBJ-UHFFFAOYSA-N 434.233 3.306 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 8454855 MFHVNQGWTUMFLM-GANRHZMWSA-N 428.897 3.045 0 50 IGAA CN(Cc1cccc(OC2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c1)Cc1ccon1 12218213 UQIUWQCXQCRJKZ-UHFFFAOYSA-N 435.528 3.202 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 14733529 YBPCPQRFHPZDSR-HNNXBMFYSA-N 438.519 3.275 0 50 IGAA COc1cc(-c2nc(CN3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc2c1OCO2 15072776 JBSQFKBYTFBMAB-UHFFFAOYSA-N 439.468 3.328 0 50 IGAA COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 21795209 SBJMUCJVEUGCFK-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55358193 YSWCVOCBWAESQF-GOSISDBHSA-N 435.499 3.359 0 50 IGAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nc(C)n2)n1 65362215 ARQFPNYYODEYRI-UHFFFAOYSA-N 428.899 3.342 0 50 IGAA COc1ccc([C@@H](C)NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC 169768840 SYIDJCAZOJYQIR-OAHLLOKOSA-N 441.557 3.099 0 50 IGAA Cc1cccc(Cc2noc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)n2)c1 263615799 FGRKTYSLDNBNMY-UHFFFAOYSA-N 445.454 3.125 0 50 IGAA Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cs1 473381941 HZXDXYIJOUSDRZ-QGZVFWFLSA-N 436.497 3.058 0 50 IGAA Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccc(O)nn4)CC3)cccc2c1=O 1875254983 GLMLMLONOGMBSV-UHFFFAOYSA-N 442.475 3.226 0 50 IGAA CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2c(Br)cc(F)cc2[nH]1 1875334790 FDDYYHFCFJOCEI-HNNXBMFYSA-N 428.327 3.451 0 50 IGAA COc1ccc([C@H](CC(=O)NCc2ccccc2)c2c(O)nc3ccccn3c2=O)cc1 2049511930 HOJHFLBJLVJWFU-FQEVSTJZSA-N 429.476 3.247 0 50 IGAA Cn1c(=O)c2c(nc(SCc3ccc(Cl)cc3)n2Cc2ccccc2)n(C)c1=O 623510 WANSWYMFMBQDHX-UHFFFAOYSA-N 426.929 3.428 0 50 IGAA CC[C@@H](OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)c1ccccc1 1154872 LMNKGXDUBQXMRL-MRXNPFEDSA-N 430.254 3.250 0 50 IGAA CC[C@@H](O)C1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12163458 MXSLULFVWYUVQP-YIXXDRMTSA-N 448.563 3.380 0 50 IGAA CC(=O)Nc1ccc(C(=O)N2CCC3(CC[C@@H](CNC(=O)C4CCCCC4)O3)CC2)cc1 12202899 QYXQXZHRMBIMKG-QFIPXVFZSA-N 441.572 3.495 0 50 IGAA COc1cc(C[C@]2(CCC(=O)NCCc3ccccc3OC)CCC(=O)N2)ccc1F 12203567 UGGLSCUJVNHOJC-DEOSSOPVSA-N 428.504 3.173 0 50 IGAA COc1cccc(CN2CCc3c(c(C(=O)NCc4cccnc4)nn3CC(C)C)C2)c1 14743517 CWHDZIOOEUKZSG-UHFFFAOYSA-N 433.556 3.431 0 50 IGAA CCOc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)c3cc(C)nn3C)O2)CC1 14881098 COGVWRINLOSBON-FQEVSTJZSA-N 426.561 3.071 0 50 IGAA NC(=O)COc1ccccc1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 225474541 PLBVIOVFDMNRKY-UHFFFAOYSA-N 433.287 3.084 0 50 IGAA O=C(NS(=O)(=O)c1ccccc1Cl)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 252538706 NERVTRZHTXHAHE-LSDHHAIUSA-N 446.878 3.455 0 50 IGAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@@H](c1ccc2c(c1)OCO2)CC(=O)O3 253412135 PZOCAZXIMUAEOP-QGZVFWFLSA-N 449.459 3.203 0 50 IGAA biogenic O=C(Nc1cccnc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263615342 BVSFUTBYJQFPOV-OAQYLSRUSA-N 449.486 3.180 0 50 IGAA COc1ccccc1N1CC[C@@H](N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O 464865774 LXQMYDNVRMFKGA-HXUWFJFHSA-N 427.932 3.302 0 50 IGAA COc1cccc(Oc2ncccc2CNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)c1 741202044 MHERMXCWFPYSFY-JOCHJYFZSA-N 433.464 3.313 0 50 IGAA Cc1c(Br)ccc2[nH]c(C(=O)N[C@H]3CCCc4nc(O)c(C(N)=O)cc43)cc12 1464030656 LDYLZXDLEUELML-HNNXBMFYSA-N 443.301 3.246 0 50 IGAA O=C(N[C@H]1CCN(c2cnnc(O)c2Cl)C1)c1cc(CCc2ccccc2)ccc1O 1472301569 XIXXWZVJZJBKHM-KRWDZBQOSA-N 438.915 3.335 0 50 IGAA COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2N1 1875361478 SWXYGIHKZVVKDT-FCHUYYIVSA-N 433.483 3.458 0 50 IGAA NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCCC2 703689 FXEFUMPWFNVZHD-UHFFFAOYSA-N 447.582 3.153 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[C@@H]1CCCO1 1071207 JRWYFCSVHUGWGD-MQNRADLISA-N 430.460 3.038 0 50 IGAA COc1ccccc1N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 1072405 WAYNXEFPPYYIKP-GFCCVEGCSA-N 436.249 3.291 0 50 IGAA CCCN1C=C(C(=O)OC)C(c2cc(Br)c(O)c(OC)c2)C(C(=O)OC)=C1 1140913 GFRAEFZMDWFYFZ-UHFFFAOYSA-N 440.290 3.086 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(C)o3)c2=O)=N1 1159588 REZQQCBIQOFDHD-DDYRAIOVSA-N 442.562 3.397 0 50 IGAA COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 2985034 GPGCATZAKFBXMI-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA Cc1cc(CN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)n[nH]1 11789994 YNDJTCIRYWCHFU-AREMUKBSSA-N 444.535 3.272 0 50 IGAA Cn1c(CNC2CCN(c3ccc(CC(=O)N4CCCC4)cc3)CC2)nc2ccccc21 12151234 NZZAMWDLTXGBJY-UHFFFAOYSA-N 431.584 3.497 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCc2ccc(C)c(F)c2)c1=O 12158687 ONXOKALGBROBLK-UHFFFAOYSA-N 439.487 3.397 0 50 IGAA CN(Cc1cccnc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12308400 JTZPGROTVOXVTD-XMMPIXPASA-N 428.536 3.098 0 50 IGAA O=C(CCn1cccn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12586422 UHMFXLWPBJGDTK-QFIPXVFZSA-N 428.552 3.332 0 50 IGAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)ccc1OCc1ccccc1 32671050 OKLRFUGPTCCWRJ-QFIPXVFZSA-N 440.496 3.482 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C2=C1C(=O)OC2 169764799 QOVDJFMGLNXKDK-QHCPKHFHSA-N 449.507 3.472 0 50 IGAA COc1ccccc1C(=O)N1CCC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777622 LUTXHSMLKDIXKK-QGZVFWFLSA-N 430.468 3.481 0 50 IGAA C[C@@H]1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C[C@H]1NC(=O)OC(C)(C)C 225499450 SSDYKAPJHGKOIK-WIYYLYMNSA-N 443.588 3.229 0 50 IGAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 230131377 QAHBKTPXQZXEEJ-HOCLYGCPSA-N 431.895 3.236 0 50 IGAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239254603 YMADUIMTEXLGIQ-HSGSIZQLSA-N 429.314 3.003 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239274620 ALPJIJNVVODKHN-VPKSEAOKSA-N 449.732 3.483 0 50 IGAA COc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2ccc(OC)c3ccccc23)cc1 253413530 VACULYQQPLLDII-HXUWFJFHSA-N 431.492 3.472 0 50 IGAA COc1cccc(N2CCN(C(=O)[C@H](c3ccc(F)cc3)N3CCCCC3)CC2=O)c1 824782241 YCPIMUZMCSAFRA-QHCPKHFHSA-N 425.504 3.237 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)CC1 1776004406 RJMXMQGFXIAZOI-DEOSSOPVSA-N 438.524 3.343 0 50 IGAA CCc1ccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857680733 NNLJVXKOEHWWDU-HSZRJFAPSA-N 427.520 3.054 0 50 IGAA O=C(CCc1ccccc1C(=O)O)NCCCCCCn1cc(-c2cncs2)nn1 1875326298 FLARKZHXVOGSEK-UHFFFAOYSA-N 427.530 3.409 0 50 IGAA Cc1cnn(-c2cccc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)c2)c1 1875362074 PPOMFMDHXXALPG-UHFFFAOYSA-N 431.540 3.194 0 50 IGAA CC(=O)NCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2510585 LKXJXPIRDOELQS-FQEVSTJZSA-N 428.510 3.195 0 50 IGAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc(Br)c2)cc1 2852318 MAJJAFMRASWNAX-MRXNPFEDSA-N 437.315 3.076 0 50 IGAA COc1ccc(CNC(=O)C2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 4599533 PKHUXXOHZHAAFE-UHFFFAOYSA-N 428.529 3.249 0 50 IGAA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 9261083 MGRKFGKYPUJTQX-OTIXFSKASA-N 430.276 3.151 0 50 IGAA Cc1cc(C)n(CC(=O)N(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)n1 11662723 QDFQGZVPFXPYEL-QHCPKHFHSA-N 429.653 3.469 0 50 IGAA C[C@@]1(C2CCN(C(=O)Cc3ccsc3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O 11787466 IEQLCTMXTKVVQV-DEOSSOPVSA-N 437.565 3.007 0 50 IGAA Cc1nc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2cccc(F)c2)C3)cs1 11964289 WGTBQYJDNGSSKW-UHFFFAOYSA-N 438.528 3.351 0 50 IGAA CO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccoc1C)C2)c1ccccc1 12152680 FUGJJRQUMCLXLS-HSZRJFAPSA-N 433.508 3.494 0 50 IGAA COc1cc(-c2nc(C)cnc2C)cc2c1OCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 12452435 JAZYDZWCNDEPCO-UHFFFAOYSA-N 447.491 3.461 0 50 IGAA CCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)CCc1nc3ccccc3[nH]1)CC2 14534810 MFVASJYKSQYGNT-UHFFFAOYSA-N 437.544 3.500 0 50 IGAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CN4C(=O)CSC4=O)C3)C2)cc1 14979178 FSAWYRRHHMCBDH-HSZRJFAPSA-N 429.586 3.320 0 50 IGAA COc1ccc(-c2n[nH]cc2CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1 15074075 XFDFUDQYBQYBSI-JOCHJYFZSA-N 426.561 3.373 0 50 IGAA COc1cc(CN2CCN(C(C)C)CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 23359732 DAWBVHNUWNOIIQ-HSZRJFAPSA-N 433.637 3.225 0 50 IGAA COCc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccccc1 40396481 RLFIFVYCYZDFHQ-UHFFFAOYSA-N 425.448 3.242 0 50 IGAA CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1OC 238937423 VGDWHUJBLWFUFO-RVKKMQEKSA-N 444.431 3.259 0 50 IGAA Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)cc1Br 239046295 FMZGCDSOPNJRQI-GCQCLRAASA-N 429.314 3.058 0 50 IGAA COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 239164964 NFQIKDHKJJPOFD-QXUYJFJKSA-N 446.503 3.061 0 50 IGAA COc1ccc2nc(N3CCOCC3)c([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)cc2c1 253395882 AQJVCCLHOTWHQI-INIZCTEOSA-N 434.448 3.250 0 50 IGAA biogenic CS(=O)(=O)NC[C@H]1CCCCN1Cc1ncc(-c2ccc(Br)cc2)o1 441179017 PALIBIXJOSNXNK-OAHLLOKOSA-N 428.352 3.008 0 50 IGAA Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@@H]2CCNC2)c1 575415310 NMFIXEFNQPDISY-CYBMUJFWSA-N 441.513 3.017 0 50 IGAA in-vitro Cn1c(S)nnc1[C@@H]1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 742640012 JUGZLRQJWZSTGI-IAGOWNOFSA-N 445.589 3.118 0 50 IGAA O=C1CCN(CC2(Cc3ccccc3)CC2)C(=O)N1CCN1C(=O)COc2ccccc21 1875329501 ZHAFTLZRSZDQRR-UHFFFAOYSA-N 433.508 3.089 0 50 IGAA C=CC(=O)NCc1cn(-c2cccc(CNC(=O)c3cc4c(s3)CC[C@H](C)C4)c2)nn1 1875383217 LMLKOXOGCQCMKC-HNNXBMFYSA-N 435.553 3.186 0 50 IGAA Cc1c(CNC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)noc1-c1ccccc1 2325819121 SQUDCXTYSXINOX-UHFFFAOYSA-N 425.435 3.392 0 50 IGAA COc1cn(C)c(C(=O)N2CCc3cc(O)ccc3[C@@H]2COCc2ccccc2)cc1=O 2325877136 KBIKVPJACGSJON-QFIPXVFZSA-N 434.492 3.056 0 50 IGAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 1170241 KTTNTDIIIXZSEE-UHFFFAOYSA-N 440.262 3.205 0 50 IGAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 4867456 ZGPAESLFMJFLSL-HXUWFJFHSA-N 425.485 3.206 0 50 IGAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 8715393 OOYQZFSLKYUZSE-UHFFFAOYSA-N 441.534 3.068 0 50 IGAA COc1ccc(CN2C(=O)CC[C@@H]3CN(C(=O)c4cc(OC)ccc4OC)CC[C@@H]32)cc1 12205524 NXNZDTBJQIJBQP-GCJKJVERSA-N 438.524 3.366 0 50 IGAA CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1)C(=O)O 12382004 NKAGYMZRPRVCBQ-QSOAKEGCSA-N 435.274 3.038 0 50 IGAA COCCOC1CCN(Cc2cccc(OC[C@H](O)CN(C)C3CCCCC3)c2)CC1 12438760 MFRIZSKELAVEGP-HSZRJFAPSA-N 434.621 3.318 0 50 IGAA COc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1O 19789428 NZEWUNJULMLFBU-UHFFFAOYSA-N 425.573 3.192 0 50 IGAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1[S@@]2=O 19792461 NYOJHGXUDYJBFZ-WJOKGBTCSA-N 443.525 3.122 0 50 IGAA O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc32)cc1 170644157 ONFHXJHNZLDMJY-CYBMUJFWSA-N 436.320 3.158 0 50 IGAA COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CCN(CCCC(F)(F)F)CC2 299759787 PGAMGSPNUFHEDC-UHFFFAOYSA-N 443.491 3.049 0 50 IGAA O=S(=O)(NCC1CC1)c1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nc1 301697968 CAVHTFVROKZFST-INIZCTEOSA-N 432.615 3.489 0 50 IGAA Cc1[nH]o/c(=N/S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cs3)cc2)c1C 1875316728 DAILNESHQYVASJ-XDJHFCHBSA-N 447.947 3.030 0 50 IGAA O=C(CCCC(=O)N[C@@H](CO)c1cccc(Cl)c1)N[C@H](CO)c1cccc(Cl)c1 2325721415 BSFSIFABWWKKIQ-KDURUIRLSA-N 439.339 3.163 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)cc1 709805 GOYMSEXNAHYOME-UHFFFAOYSA-N 425.514 3.495 0 50 IGAA CCN(CC)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 2064954 ATMZKFNISHLNFV-UHFFFAOYSA-N 434.558 3.384 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 13775483 IBXQWOAMHLLBJU-QIPHDZALSA-N 428.897 3.045 0 50 IGAA Cc1ccccc1[C@]1(CC(=O)N(C)C[C@H]2CCCCO2)CC(=O)N(Cc2ccncc2)C1=O 14881714 SFACVPRSKNLMHC-RLWLMLJZSA-N 449.551 3.005 0 50 IGAA CCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 14881747 KIJDPPWAZCKQKT-QHCPKHFHSA-N 432.572 3.421 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CCC(=O)N(C)C)O3)c1 14960413 FGNLGFBNYAAMGY-KRWDZBQOSA-N 446.931 3.312 0 50 IGAA O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3cccs3)cc2)CC1 14989228 NPOWIPAKVOMTJZ-NRFANRHFSA-N 441.597 3.486 0 50 IGAA Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)c1 16225260 PJALOJRAEUZVBA-UHFFFAOYSA-N 443.569 3.462 0 50 IGAA COc1ccc(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c(OC)c1OC 19781687 SZYPCHFFOGTJQE-UHFFFAOYSA-N 446.544 3.056 0 50 IGAA in-vitro COC(=O)c1sc2nc(CN3CCOCC3)ccc2c1NC(=O)Cc1ccccc1 23338929 VNTZNEDKSYZARR-UHFFFAOYSA-N 425.510 3.096 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1=O 104497563 CVEMXMVBPDJQNK-JBYIUTFZSA-N 449.551 3.352 0 50 IGAA CC(C)N1CCN(C(=O)c2cc3n(n2)C[C@@H](c2ccc(Br)cc2)OC3)CC1 169759607 VYQZEIAWNVPPBD-IBGZPJMESA-N 433.350 3.083 0 50 IGAA COc1ccccc1N1CC[C@@H](C)N(CCCOc2ccc(S(C)(=O)=O)cc2)CC1 225614010 RORCLUFFRQWGFO-LJQANCHMSA-N 432.586 3.468 0 50 IGAA CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 225758875 MEPXIYVHUFAFNY-JOCHJYFZSA-N 441.597 3.158 0 50 IGAA O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCCN(C[C@H]2CCCO2)CC1 252452356 DOAKQEGKLVLLEL-ZWKOTPCHSA-N 440.510 3.030 0 50 IGAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1)c1ccc(-n2cncn2)c(F)c1 252517676 OKETZCHOUHTASJ-PEYKTXOXSA-N 434.471 3.294 0 50 IGAA C[C@H](NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl)c1cncs1 1875252795 RYZKJMUIXDVRQB-YFKPBYRVSA-N 438.712 3.445 0 50 IGAA CCNC(=O)COc1cccc([C@@H](C)NC(=O)NCc2ccccc2-c2cnn(C)c2)c1 2325707370 ZRBUPLBQJYBJGG-QGZVFWFLSA-N 435.528 3.162 0 50 IGAA O=C(N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)c3cc4ccccn4c3)C2)C1)[C@H]1CCC(F)(F)C1 2332238214 GHAGQPMNCBJMLP-ULQDDVLXSA-N 449.523 3.461 0 50 IGAA NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 948238 FOOUFRGNBPSBTH-UHFFFAOYSA-N 435.299 3.267 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OC)c(O)cc1Br 1074591 IWEOUVWCSFFPHP-GOSISDBHSA-N 447.285 3.492 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2cccc(Cl)c2)cc1 1147260 UFJZGYOZUIJVFO-LJQANCHMSA-N 436.961 3.135 0 50 IGAA CC(C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)O 12382001 WKLNMKJQUZVROS-WQJNHMDYSA-N 445.313 3.445 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc(OC)nc2OC)C1 12757327 CGLZPUIGUAHBDS-QHCPKHFHSA-N 430.476 3.266 0 50 IGAA COc1ccc(-c2cc(C(=O)N(C)CCc3ccccn3)cc(-n3cnnn3)c2)cc1OC 15005193 GACNWJAMIJPKJN-UHFFFAOYSA-N 444.495 3.056 0 50 IGAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1 15017736 OMFRNPLQGSTABP-LADGPHEKSA-N 427.508 3.065 0 50 IGAA COC(=O)c1ccccc1C(=O)N1CCC[C@H]2CN(C(=O)c3cccc(OC)c3)CC[C@@H]21 43631131 RVRZCKVYCOCIGU-AVRDEDQJSA-N 436.508 3.249 0 50 IGAA O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(Br)c(O)c1 170607778 CXYFYVIYJDZNJJ-UHFFFAOYSA-N 428.080 3.286 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)sc2C)cc1 483915051 GYKZYRCPLRDOOF-HXUWFJFHSA-N 427.570 3.111 0 50 IGAA NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 752764031 DDCLAPGCXDTXPT-CYBMUJFWSA-N 441.871 3.051 0 50 IGAA Cc1cc(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c(CN2CCN(C)CC2)c1 952967426 BCOKKOCIHWBHBW-QFIPXVFZSA-N 426.649 3.274 0 50 IGAA Cc1ncsc1CN1C[C@H]2CN(Cc3nc(-c4cccs4)oc3C)C[C@]2(CO)C1 1772804257 KPBLOSZATOXVMW-IIBYNOLFSA-N 430.599 3.403 0 50 IGAA COC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2575158 RGAYLERNFQMFEZ-NSHDSACASA-N 439.399 3.297 0 50 IGAA CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1 2685045 TXJMLBKNYFETGN-UHFFFAOYSA-N 437.521 3.315 0 50 IGAA CCOc1cc(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)ccc1OC(F)F 2808039 XQDLEDWXSFGRHJ-UHFFFAOYSA-N 439.444 3.354 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccoc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O 11788347 NCCXMOIMEBGKNJ-DEOSSOPVSA-N 438.528 3.169 0 50 IGAA Cc1ccc(OCCN(C)C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(C3CC3)C2=O)cc1 12217151 RUVIVGLTNGPCKJ-SANMLTNESA-N 434.536 3.390 0 50 IGAA CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 13374325 VZPAURMDJZOGHU-DQEYMECFSA-N 444.531 3.318 0 50 IGAA biogenic,in-vitro COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1C 14973573 FUVQWJIRWNDQIS-LBPRGKRZSA-N 435.527 3.077 0 50 IGAA COc1cc(-c2nc(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)o2)cc2c1OCO2 102097748 DITUSJAOVDCMGC-RDJZCZTQSA-N 435.480 3.168 0 50 IGAA COc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)cc1 169764145 FEYZVUCYIVTQIT-UHFFFAOYSA-N 428.920 3.334 0 50 IGAA Cc1cccc(OCC(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778049 JXSGRUNXRGVTAB-SFHVURJKSA-N 430.468 3.156 0 50 IGAA O=C(c1ccn(-c2cccc(F)c2)n1)N1CCOC[C@H]1c1nc(-c2cccs2)no1 225661278 ZPCFIXMPAQHSFV-INIZCTEOSA-N 425.445 3.337 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239009602 AXOYHVJKNCUICJ-DLCHMEAZSA-N 436.508 3.024 0 50 IGAA COc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 239174329 PTYLHMPCXAJLKJ-BSZKWMGISA-N 444.487 3.479 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Oc1ccc(OCc2ccccc2)cc1 239203522 SNWNWZGNBKDJNH-IFQWMDHTSA-N 429.472 3.224 0 50 IGAA CO[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)C1 328589360 YHCMACFGQLFBSA-YLJYHZDGSA-N 428.554 3.468 0 50 IGAA CN1CCC[C@H](c2nnc3sc(-c4ccccc4I)nn23)C1 823771468 OXICQRIDZDSKJX-JTQLQIEISA-N 425.299 3.267 0 50 IGAA O=C1N=CC=C[C@H]1c1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)n1 904754253 HJCNOBPKKDEADE-INIZCTEOSA-N 429.465 3.255 0 50 IGAA CCn1cc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cn1 1857706681 NJIZKNLQWAYPIA-OAQYLSRUSA-N 446.617 3.164 0 50 IGAA CC[C@H](O)c1cn(Cc2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)cc2)nn1 1875316260 DWPNCERDIUFVJP-DEOSSOPVSA-N 433.556 3.118 0 50 IGAA Cc1ncn(-c2ccc(NC(=O)c3ccc(Br)c(S(N)(=O)=O)c3)cc2)c1C 1875356437 KETCZSCQNXAANT-UHFFFAOYSA-N 449.330 3.151 0 50 IGAA CN1CC[C@H](c2nc(-c3ccc(OC(F)F)c(Cl)c3)nn2[C@H]2CCCOC2)C1=O 2325827356 DBOGFWSBJFOOPE-QWHCGFSZSA-N 426.851 3.497 0 50 IGAA CCc1c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CSc4ccccc4O3)C2)cnn1C(C)(C)C 2325827378 DQKJXSDCMRZBPM-DNVCBOLYSA-N 442.585 3.085 0 50 IGAA COc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 947828 OWBAIJHXJULMDF-HXUWFJFHSA-N 442.562 3.189 0 50 IGAA biogenic,in-vitro O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1518114 MKHGFBYCYHLLQZ-UHFFFAOYSA-N 437.930 3.223 0 50 IGAA CCN(CC)CCOC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 4879603 PCXSLSMRUUPAIY-UHFFFAOYSA-N 425.485 3.122 0 50 IGAA COc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2cc1OC 9287115 RDMZAXJXOAVXSU-UHFFFAOYSA-N 445.475 3.117 0 50 IGAA O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O 10060513 HNYNLWFHMOELIW-OAHLLOKOSA-N 429.270 3.159 0 50 IGAA COc1ccc(CN(C)Cc2nc3ccccc3[nH]2)cc1OC[C@H](O)CN1CCCCC1 11664568 MBFNWWLKOYYCLV-HXUWFJFHSA-N 438.572 3.429 0 50 IGAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(C)oc2C)CCO3)CC1 11995540 SQTLHRCJNMKXHQ-UHFFFAOYSA-N 426.513 3.316 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)Cc2ccccc2)C1 12074250 YOYRNRWBUXECIY-HSZRJFAPSA-N 431.554 3.413 0 50 IGAA C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 12217668 RHNYYUFHMNEFNN-UYAOXDASSA-N 446.551 3.495 0 50 IGAA O=C1N[C@H](Cc2ccccc2)C(=O)N2C[C@@H](NCc3sc4ccccc4c3Cl)C[C@@H]12 14538624 AKSHZGWWZAZTGC-JQHSSLGASA-N 439.968 3.355 0 50 IGAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)CCc2ccncc2)CC1=O 14539656 OILBMHGEYDBEIP-OAQYLSRUSA-N 427.520 3.066 0 50 IGAA CCN(CC)CCN(C)Cc1ccc(OC[C@@H](O)CN2CCCCCCC2)c(OC)c1 20272852 UJRYWKSXWWLZTR-QHCPKHFHSA-N 435.653 3.475 0 50 IGAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 252511056 DNSYTAUTIOVKHF-TTYHFUOFSA-N 448.485 3.453 0 50 IGAA Cc1cc(=NC[C@H]2C[C@H](C)N(C(=O)C3CCC4(CC3)CC(O)C4)C2)[nH]c(C(C)(C)C)n1 1875338278 RHTSWFQEJIINJM-ODLPNHOLSA-N 428.621 3.485 0 50 IGAA Cc1ccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1C 8588752 JTZSFSIWULNXEI-JXMROGBWSA-N 427.508 3.379 0 50 IGAA CCc1c(C(=O)NCc2cccc(OC)c2OC)c(=O)cc(C)n1CCN1CCCCC1 11880237 NXCMNCXVXNXWAH-UHFFFAOYSA-N 441.572 3.152 0 50 IGAA COCCCN1C(=O)c2cccc(N3CCN([C@H](C)Cc4ccc(F)cc4)CC3)c2C1=O 12217277 ZYZJZCBPSQGWNV-GOSISDBHSA-N 439.531 3.211 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1 12364399 JQTXQZRREKHINI-OAQYLSRUSA-N 446.525 3.461 0 50 IGAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc(OC)c1 12439800 XXJBSFJYNGGFRT-SFHVURJKSA-N 433.549 3.079 0 50 IGAA O=C(N[C@H]1CC[C@@H]2SC[C@@H](C(=O)O)N2C1=O)OCC1c2ccccc2-c2ccccc21 14632705 MWABBJIOTKTQFS-UFYCRDLUSA-N 438.505 3.042 0 50 IGAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)c2C(N)=O)C1 19645585 UGEVRDOPHXAYJP-CQSZACIVSA-N 447.004 3.386 0 50 IGAA Cc1cccc(N2CCC(N3CCC(n4nccc4NC(=O)[C@H]4CCOC4)CC3)CC2)c1 39454938 FDZKRSYWILXDCJ-FQEVSTJZSA-N 437.588 3.472 0 50 IGAA O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772820 HAGGMKVRWZGXQE-VIFPVBQESA-N 447.318 3.046 0 50 IGAA CCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3nc(C)no3)c3ccccc3)cc2C1=O 225441861 JNWQCNSZGSIHTL-HXUWFJFHSA-N 432.480 3.488 0 50 IGAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@H]2CCCO2)c2ncc(N[C@H](C)CCO)cc12 244858570 VNNMFHVMLQWTLF-ZMSDIMECSA-N 446.548 3.169 0 50 IGAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 263586481 UVHIUENISJGPMN-CXFRRJOOSA-N 434.588 3.095 0 50 IGAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O 390827090 DVSCLZPQTFJALQ-XWGVYQGASA-N 441.616 3.407 0 50 IGAA biogenic COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1Cl 886025365 JCDWLJWAGAPXKM-RDJZCZTQSA-N 440.928 3.154 0 50 IGAA Cc1nnnn1Cc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cc1 1506423965 YTPXMUFCXLIDDM-JBRSBNLGSA-N 431.540 3.322 0 50 IGAA CC(C)(Cc1cn(Cc2ccc(C(=O)NC3(Cc4cccc(F)c4)CC3)o2)nn1)C(=O)O 1875355459 KUSKGFHFSQDSII-UHFFFAOYSA-N 440.475 3.217 0 50 IGAA CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325895575 DMRXSIOHFIRDMG-SFTDATJTSA-N 445.519 3.061 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1/C=C/c1ccccc1 2070594 ABBHYENHHQTLLR-UBMYFXCNSA-N 434.492 3.212 0 50 IGAA Cc1ccc(OCn2ccc(C(=O)Nc3ccc(N4CCOCC4)c4nonc34)n2)c(C)c1 2800349 ZSXUQMKVDGDOIR-UHFFFAOYSA-N 448.483 3.162 0 50 IGAA O=C(/C=C/c1c[nH]cn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 11664328 OTEAHNKXPMBITC-DORXLWPQSA-N 426.536 3.482 0 50 IGAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCc2cnccn2)CC1 12030154 BQPXDQXIBPHBNP-UHFFFAOYSA-N 446.555 3.431 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1ccoc1C)CCN(C(=O)c1cn3ccsc3n1)C2 12079763 ZXBJKJBDISUCGQ-UHFFFAOYSA-N 435.509 3.129 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)C[C@H]2CCCCO2)c1 12224354 SJNTUXBMTOHCOC-HXUWFJFHSA-N 430.545 3.116 0 50 IGAA CN(C[C@@H]1COCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12596484 ONDBJYUESYFSGA-RUZDIDTESA-N 438.568 3.260 0 50 IGAA CCn1ncc(-c2ccnc3c(C(=O)N4CC[C@@H](C(F)(F)F)n5nccc54)cnn23)c1C 13644605 JOTQVXVNDARBPJ-INIZCTEOSA-N 444.421 3.272 0 50 IGAA CC[C@H](C)C(=O)C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 14979432 LZVNZFUVEMCWSO-KRWDZBQOSA-N 426.517 3.069 0 50 IGAA COc1ccc(-c2cccc3c2O[C@H](CNC(=O)CSc2nc(C)cs2)C3)nn1 14987361 FQJPNWAOQOLPDW-AWEZNQCLSA-N 428.539 3.129 0 50 IGAA CC(C)c1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)on1 15071719 WUTGUORYLQECID-LJQANCHMSA-N 439.560 3.174 0 50 IGAA COc1cc(OC)c(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(OC)c1 20453006 RQLOWWWKCZUGLG-NRFANRHFSA-N 428.573 3.214 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1 32553520 WUMHIZFNALHPAD-RTWAWAEBSA-N 435.490 3.201 0 50 IGAA Cc1nn(C)cc1CN1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 299769303 WMDQLFFWLLDOCL-QLUGYHCRSA-N 447.627 3.188 0 50 IGAA O=C([C@@H]1CCCN1)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952863870 ZADMNKTVWKPSAC-QHCPKHFHSA-N 433.552 3.055 0 50 IGAA CCCOc1cccc(CNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCN(CC)C3)c1 1857683944 RZVZBGGBFRQEBO-MVERNJQCSA-N 443.632 3.305 0 50 IGAA COC[C@@H](NC(=O)CCC(=O)NCC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 1875263491 PCXPGQXDYVJOFT-GOSISDBHSA-N 438.858 3.201 0 50 IGAA CC(=O)NCCc1cc(-c2csc(N3CCN(c4nccs4)CC3)n2)ccc1F 1875263515 KOXCWTYJBKTTKJ-UHFFFAOYSA-N 431.562 3.411 0 50 IGAA COc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cnc(C(C)C)s3)[C@H](C)C2)cc1 2325827968 VIMPITRSNCFYGM-HZPDHXFCSA-N 431.558 3.416 0 50 IGAA O=C(c1ccc2nn[nH]c2c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356158959 GEZUDNOYRRLDHC-PNQHUFSXSA-N 447.514 3.181 0 50 IGAA COc1ccccc1[C@H]1C(C(N)=O)=C(C)Nc2nc(SCc3ccccc3F)nn21 1130666 VOTHHNIKWHWNNG-SFHVURJKSA-N 425.489 3.492 0 50 IGAA aggregator O=C(C1CCN(CC2CCCCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 5649695 WYFUTIOZEFQSMD-UHFFFAOYSA-N 427.589 3.352 0 50 IGAA CCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 9833531 PZAIVAMYPBESFQ-UHFFFAOYSA-N 425.348 3.458 0 50 IGAA C[C@@H](NS(=O)(=O)c1cccs1)c1nnc(SCCOc2ccc(F)cc2)n1C 12470383 OBGWMSWQWOWPJE-GFCCVEGCSA-N 442.563 3.226 0 50 IGAA C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 14987262 HJDNDSLUUJQPRS-GOSISDBHSA-N 449.555 3.200 0 50 IGAA C[C@H]1CCCCN1C(=O)CN1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170601568 JZMPUYMAOIIEAE-LEWJYISDSA-N 436.641 3.042 0 50 IGAA Cc1c(Br)ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 239128720 KQYQYKJUYMLGLF-RTYLXBGUSA-N 443.341 3.446 0 50 IGAA CCn1ncc2ccc(NS(=O)(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cc21 253425914 WMAREQAPRLCFRW-LJQANCHMSA-N 428.514 3.209 0 50 IGAA COC(=O)C1=C(C)N=c2sc(=Cc3cccc(Cl)c3)c(=O)n2[C@H]1c1cccs1 254312090 SAJAOJGNWLUDKU-KRWDZBQOSA-N 430.938 3.123 0 50 IGAA CC(C)(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263619621 ZQKZRDVOQURXQX-LJQANCHMSA-N 428.508 3.061 0 50 IGAA COC(=O)[C@H](CCSC)NC(=O)C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 299763654 QJIRXYPZHZGEDN-IBGZPJMESA-N 444.601 3.182 0 50 IGAA COc1cc2cc(CNCCc3nnc(C)[nH]3)c(=O)n(CC3CCCCC3)c2cc1OC 299802370 LEFUJDLPONNCJX-UHFFFAOYSA-N 439.560 3.358 0 50 IGAA CC1(C)CN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 483176312 NJHGOSAHMCIMQZ-QGZVFWFLSA-N 431.846 3.104 0 50 IGAA O=C(CCCC(=O)N[C@@H](CO)c1cccc(Cl)c1)N[C@@H](CO)c1cccc(Cl)c1 2325721416 BSFSIFABWWKKIQ-OALUTQOASA-N 439.339 3.163 0 50 IGAA Cc1cc(C(=O)Nc2ccc3c(c2)C[C@@H](O)C3)cc(C(=O)Nc2ccc3c(c2)C[C@H](O)C3)c1 2325743991 ZIBDOURWJKAGKK-PLQXJYEYSA-N 442.515 3.419 0 50 IGAA Cc1cc(F)c(S(=O)(=O)N=[S@]2(=O)CCCN(C(=O)[C@@H]3CCC3(C)C)CC2)cc1F 2332238730 JNTKNAFWXPZGRI-POXGOYDTSA-N 448.557 3.098 0 50 IGAA COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 660167 WWJFUQPZLNPAKH-UHFFFAOYSA-N 428.485 3.212 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 11879553 LHDCAKPYGWXWKT-DEOSSOPVSA-N 437.471 3.090 0 50 IGAA COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cccn1-c1ncccn1)CC2 12037195 MQLICNNRWULLKA-QFIPXVFZSA-N 445.567 3.237 0 50 IGAA C[C@]1(C2CCN(C(=O)Cc3ccsc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12163103 FQRRPNZIGNVAST-JOCHJYFZSA-N 429.517 3.179 0 50 IGAA CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)CCCCC1 12574598 UTAIOSNPFARROS-FQEVSTJZSA-N 444.572 3.249 0 50 IGAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14744334 COXLFWYCRVYWBK-JOCHJYFZSA-N 440.588 3.116 0 50 IGAA CCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)CC1 16552592 UNLWVPIYLWMOMN-UHFFFAOYSA-N 429.542 3.329 0 50 IGAA Cc1ccc(Cl)cc1NC(=O)CSC1=N/C(=C\c2cnn(C)c2)C(=O)N1C1CC1 17096708 DHPDGVYGNMUENJ-IDUWFGFVSA-N 429.933 3.455 0 50 IGAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nc(C)n2)n1 65363099 JABCHFKKZOXNCI-UHFFFAOYSA-N 428.899 3.342 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc1Cl 72117329 XSFMVOLZORMJTE-UHFFFAOYSA-N 441.923 3.295 0 50 IGAA C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCCN(C)S(=O)(=O)c1ccc(F)cc1 225413741 OPKMJZVMMJJLOR-VQIMIIECSA-N 443.585 3.071 0 50 IGAA C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@]2(CCCOC2)O1 225471292 QNAYRCLPYYPBPP-VLIAUNLRSA-N 426.435 3.242 0 50 IGAA O=C(Oc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239174483 QCGPCNACJMKCBD-ZFGLVRGFSA-N 431.463 3.396 0 50 IGAA COc1ccc(CCNC(=O)C[C@H]2N=C(O)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 252485512 GXHHAKLPNYTXPB-LJQANCHMSA-N 439.512 3.205 0 50 IGAA CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1ccc(C(F)(F)F)nc1)CCCC2 328594048 LIFLTKQKLUZSJL-UHFFFAOYSA-N 435.449 3.265 0 50 IGAA Cc1nc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nn1-c1n[nH]c(C(F)(F)F)n1 474326322 WMUJJWSCEGZZDV-UHFFFAOYSA-N 449.393 3.397 0 50 IGAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760604261 TXWAISWKKRHPFL-MBSDFSHPSA-N 446.551 3.001 0 50 IGAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 772573944 KGLDZFWDNHQZMJ-IBGZPJMESA-N 429.908 3.028 0 50 IGAA O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCC(c2cc3ccccc3[nH]2)CC1 776059994 UEXYENSNIXPPIR-KRWDZBQOSA-N 427.530 3.136 0 50 IGAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CN1Cc1ccccn1 1704337349 VGELKSQCTCLUNP-SFHVURJKSA-N 444.535 3.002 0 50 IGAA O=C(N[C@H](CNC(=O)[C@H]1C[C@@H](O)C1)c1ccc2ccccc2c1)c1cncc2[nH]ccc12 1875360260 CWWUTDMNPSHKOW-XQBPLPMBSA-N 428.492 3.074 0 50 IGAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1OC 710177 XOPOQSZVCIHUKL-UHFFFAOYSA-N 442.497 3.164 0 50 IGAA COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 877300 BZGWOAPYSQGIIV-UHFFFAOYSA-N 436.533 3.475 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccccc2)cc1 888993 RPLUGCYDTOUBNZ-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA CCc1ccccc1N(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1 1099389 UOTDSXIIVFLLGE-UHFFFAOYSA-N 437.521 3.182 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 2490037 UNUIPZQYUXCGRB-FBHQFGEZSA-N 432.545 3.415 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(O)c(-c3ccccc3)c(=O)[nH]2)cc1 13544928 ZHZKSYJTRPXRJR-ZDUSSCGKSA-N 439.493 3.439 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(Cl)cc1)C2 14742130 RQGRFBCMIGBMGX-IBGZPJMESA-N 430.980 3.312 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C(=O)N1CCCCCC1 16625670 CRKFWMPYEIJJGJ-UHFFFAOYSA-N 447.582 3.324 0 50 IGAA CCN(CC)CCN(C)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 23359101 OGEIYOQQBBHYAS-XMMPIXPASA-N 443.632 3.341 0 50 IGAA CCOC(=O)[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(OC)c(F)c1 170599683 PMNMDGAAGXDEOW-SFHVURJKSA-N 439.281 3.429 0 50 IGAA O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)N[C@H]1COc2ccccc2C1 170669325 CCWDFANDKDCXCS-GOSISDBHSA-N 447.520 3.193 0 50 IGAA O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 241774110 RNCOFEQGFWXHSI-HNNXBMFYSA-N 425.913 3.316 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H](c3ccccc3)c3nccn3C)C2=O)cc1 253412066 PTIAWSZOHKROTB-RBBKRZOGSA-N 445.523 3.264 0 50 IGAA COC(=O)C[C@H](c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O)C(C)C 263586419 UGGLVIWBAJXPTC-SFHVURJKSA-N 445.512 3.224 0 50 IGAA biogenic Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c1C 478154095 SPHGRQYOIGHUIW-MRXNPFEDSA-N 431.432 3.069 0 50 IGAA CN(Cc1ccccc1)C(=O)NCCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O 486365925 AKRMLDFWZJMVHK-HSZRJFAPSA-N 447.535 3.431 0 50 IGAA COC1(C(=O)N2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CCOCC1 952892034 DLIQUISRBQXTSM-SFHVURJKSA-N 443.397 3.104 0 50 IGAA COC(=O)c1cccc2nc(NC(=O)c3cccc(CN=c4nc(C)cc(C)[nH]4)c3)[nH]c12 1875258674 IPMNCMHJXTWKED-UHFFFAOYSA-N 430.468 3.043 0 50 IGAA CC(C)=CCN1CCCNC(=O)c2nn(CCC(C)C)c3c2C[C@@H](CC3)NC(=O)CCC1 2100532818 BIMQZIQKSREBQW-HXUWFJFHSA-N 443.636 3.085 0 50 IGAA Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c(Br)c1 1161550 KYVPXFKGLCUTHC-GOSISDBHSA-N 444.329 3.338 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(=O)C3CCCCC3)cc2)cc1 1188819 UANKJNZTZHUQIO-UHFFFAOYSA-N 436.555 3.181 0 50 IGAA Cc1ccc(N(CC(=O)NC[C@H](O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 12285114 JPDKGTQYCZSNCY-QHCPKHFHSA-N 438.549 3.349 0 50 IGAA COc1ccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(F)cc3)n2C)cc1 12384008 GSUXLKASGYNCFK-ZDUSSCGKSA-N 428.489 3.429 0 50 IGAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 14733303 NFXBTQOBPUDCGK-MRXNPFEDSA-N 425.529 3.435 0 50 IGAA COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)n2ccccc2nc1=O 205981156 KZBWOKKSXRKDLQ-IBGZPJMESA-N 431.448 3.069 0 50 IGAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN1CCN(CCOc3ccccc3Cl)CC1)C2=O 252457635 YHBDYULOANMIMG-CYGODWOOSA-N 448.995 3.041 0 50 IGAA COc1ccc(NC(C)=O)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1O 252495541 OSXKUWANIJAWAK-UHFFFAOYSA-N 433.468 3.435 0 50 IGAA C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCOCC1 1357410880 DHUSCLKRYPETQU-INIZCTEOSA-N 446.523 3.338 0 50 IGAA Cn1cnnc1[C@@H](CO)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 1453807778 UUCTZNDDPWFGJD-LJQANCHMSA-N 425.439 3.024 0 50 IGAA CCCCNC(=O)[C@H](c1cnc(N(C)C)nc1)N(Cc1ccncc1)C(=O)c1ccccc1 2325826600 GPFQLMCXNNEREY-QFIPXVFZSA-N 446.555 3.238 0 50 IGAA COc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 3067259 YAVSNFMPVSKGOD-UHFFFAOYSA-N 442.512 3.389 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cccc(Cl)c2)cc1 6064531 CJMFDAYISQRTTB-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 9044275 ZWCFHYLPKNELRJ-QGZVFWFLSA-N 443.525 3.186 0 50 IGAA CN(C)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 12384258 CUBJUDWTXZYSGW-KYCQWFEFSA-N 447.572 3.476 0 50 IGAA COc1cccc(CN2C[C@H](C(=O)NCC3(c4ccccc4)CCOCC3)CCC2=O)c1 12708046 UJAGMCWKFGXTNQ-OAQYLSRUSA-N 436.552 3.298 0 50 IGAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(NC3CCOCC3)cnc2n1C 14743883 FTIARHXXUISERA-UHFFFAOYSA-N 438.484 3.212 0 50 IGAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 14881734 PTUKHZZNKSFTNE-UHFFFAOYSA-N 447.514 3.123 0 50 IGAA Cc1nc(C)n(CC(=O)N2CCC(Oc3cccc(CN(C)Cc4ccoc4)c3)CC2)n1 14977245 VRQMNUKHSMSWBM-UHFFFAOYSA-N 437.544 3.190 0 50 IGAA C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 14986896 HTYAHQDIINXDJZ-KRWDZBQOSA-N 439.510 3.425 0 50 IGAA COC(=O)[C@H]1CCCCN1Cc1nc(N2CCC(OC)CC2)c2cc(Cl)ccc2n1 55060716 KMIQTOYCXJDIFN-LJQANCHMSA-N 432.952 3.426 0 50 IGAA COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100566764 QYWBKOWNJPKBRR-ZRBLBEILSA-N 430.460 3.448 0 50 IGAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3Cl)C3=C2C(=O)OC3)cc1 169757984 KMSKIQBOYHPFGR-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(F)cc4Cl)CC3)n[nH]c2=O)cc1 169777246 HKRCIULZHRXUOY-UHFFFAOYSA-N 444.894 3.441 0 50 IGAA COCCn1c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc2cc(Cl)ccc21 225418793 TUSOYZGGFVDRCQ-WBVHZDCISA-N 425.916 3.362 0 50 IGAA biogenic C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)C1 245276856 XWGPSZXPTCQYHK-WHSLLNHNSA-N 430.526 3.132 0 50 IGAA aggregator Cn1cc(CCNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c2ccc(F)cc21 474079716 MQGKFRAKIZZLSY-UHFFFAOYSA-N 434.519 3.035 0 50 IGAA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)C1 8682673 WXSRQGYBCDFLLC-HOTGVXAUSA-N 431.583 3.480 0 50 IGAA COc1cc(C[C@@]2(CCC(=O)NCc3cn4c(C)cccc4n3)CCC(=O)N2)ccc1F 12241293 LQDRLCPSPAFOQV-XMMPIXPASA-N 438.503 3.078 0 50 IGAA CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O 16188841 NFTDBKIJASUPBJ-UHFFFAOYSA-N 429.542 3.397 0 50 IGAA Cc1cc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl 19363097 VTZCIHKDUMFUMN-LJQANCHMSA-N 432.948 3.243 0 50 IGAA COc1cc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1OC 19549531 RPMRIKDXTXKQPH-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)CC1 53523297 GRJCJEHFVJBBLX-HXUWFJFHSA-N 433.556 3.307 0 50 IGAA O=C(C1CCOCC1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55071634 VMHDJWZWMZIMSY-FQEVSTJZSA-N 425.495 3.245 0 50 IGAA COc1ccc2c(c1)[C@@H](CC(=O)N1CCC3(CC1)C[C@@H]3C(=O)Nc1ccccc1)C(=O)N2 101931816 LZWWMKLJEOBVMA-WOJBJXKFSA-N 433.508 3.388 0 50 IGAA COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CNC(=O)OCC(F)(F)F 170624915 UGXXTXOATAUNEP-GFCCVEGCSA-N 439.228 3.410 0 50 IGAA O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 222163272 FWINPFBERRVCIE-YADHBBJMSA-N 435.524 3.369 0 50 IGAA COc1ccccc1OCCNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 252474428 DHNADQGAQJJJIU-WGSAOQKQSA-N 435.524 3.407 0 50 IGAA Cc1cccn2cc(CN3CCN(C(=O)c4cc(-c5ccccc5)no4)CCC3=O)nc12 299756447 ILBMCOLIUAGMJX-UHFFFAOYSA-N 429.480 3.172 0 50 IGAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2C)n1 302990329 WCCUDKXWPJYTKM-DHZHZOJOSA-N 444.583 3.296 0 50 IGAA CO[C@@H](C)c1nc(CN2CCCN([C@@H](C)C(=O)N3CCc4ccccc4C3)CC2)cs1 439629751 BJKLYQJSBKTZRZ-OALUTQOASA-N 442.629 3.332 0 50 IGAA COc1cc(OC)cc([C@@H](O)CNC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 778329033 SCXTWIOGOHCJCM-DIFFPNOSSA-N 429.439 3.033 0 50 IGAA CC(=O)N1CCC(CC(=O)NCc2ccccc2Cl)(N2Cc3ccccc3C2=O)CC1 952962593 DKSHDAFSTSMBFE-UHFFFAOYSA-N 439.943 3.383 0 50 IGAA CS(=O)(=O)C1(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCCCC1 1478388458 RPLPFWXSRVBTTL-UHFFFAOYSA-N 442.379 3.477 0 50 IGAA Cc1cc(-c2cn(Cc3ccccc3)nn2)cnc1C(=O)N(C)Cc1ccc(C(=O)O)o1 1875354433 VTMOIGFJNRRICR-UHFFFAOYSA-N 431.452 3.260 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 721092 IVCVYNHRZCQMQN-LBPRGKRZSA-N 434.374 3.053 0 50 IGAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 840823 XDGSCPKAFFBROV-UHFFFAOYSA-N 426.947 3.092 0 50 IGAA O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 880099 JVUJNDYTNHCICH-KRWDZBQOSA-N 442.459 3.196 0 50 IGAA CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 1062804 SLARECUFMNDQQL-UHFFFAOYSA-N 429.420 3.095 0 50 IGAA Cc1cccc(CN2CCC(N3CCC(C(=O)N[C@H]4CCOC(C)(C)C4)CC3)CC2)n1 11662672 UCVWAHGQITVLGY-NRFANRHFSA-N 428.621 3.140 0 50 IGAA COc1cccc(C[C@]2(C3CCN(Cc4ccccc4F)CC3)NC(=O)N(C)C2=O)c1 12212613 KEYYDZYLXPVHLI-XMMPIXPASA-N 425.504 3.209 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2nnc(Cc3ccccc3)n2CC1 14981451 HBTQFIOPZHAJHG-UHFFFAOYSA-N 440.551 3.299 0 50 IGAA CCOC(=O)N1CCN(C(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)CC1 15073709 PYUBLTNXQMANOS-UHFFFAOYSA-N 430.486 3.086 0 50 IGAA COc1ccc(-c2noc(CN3CCN(Cc4cccs4)CC3)n2)c(OC)c1OC 19792536 PAVLVWJMILJQON-UHFFFAOYSA-N 430.530 3.142 0 50 IGAA CCCN1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1 20416992 INVXMDXHQILUPG-UHFFFAOYSA-N 435.572 3.138 0 50 IGAA CN(Cc1cccnc1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 55054631 PWPQJDZEAXSSHA-UHFFFAOYSA-N 446.599 3.452 0 50 IGAA COc1ccc(CCc2nc(-c3nnn4c3CO[C@@H](c3ccc(OC)cc3)C4)no2)cc1 169769107 TUVDKELNZLDCPW-HXUWFJFHSA-N 433.468 3.402 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)cc4C)ccn3n2)cc1 169775889 KBLMZPBZVXMXLY-UHFFFAOYSA-N 446.507 3.309 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5cc[nH]c5c4)ccn3n2)cc1 169775907 ZJPHLQDJYNKLBL-UHFFFAOYSA-N 441.491 3.473 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)c(F)c4)ccn3n2)cc1 169775908 LRFDATQVXKWYSM-UHFFFAOYSA-N 438.434 3.270 0 50 IGAA Cc1ccccc1N(CC(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1)S(C)(=O)=O 230233705 UTIAPJCADGQOMW-GOSISDBHSA-N 430.574 3.482 0 50 IGAA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 245242316 ZXKOFXIXHHRONF-XVMBXYQCSA-N 444.487 3.181 0 50 IGAA Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccsc3Cl)cc2)n1 1875316941 JNIMAQZJVWIARY-UHFFFAOYSA-N 444.947 3.102 0 50 IGAA COc1cccc(OC)c1OCc1nnn([C@]2(C(=O)O)CC[C@@H](Cc3ccccc3)C2)n1 1875323061 VFSXUAZZXUKQGT-GAJHUEQPSA-N 438.484 3.092 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O 2325819669 MLNYUHDOCVBFHP-PMRDFSHISA-N 446.491 3.163 0 50 IGAA CC1(C)CC[C@@H](C(=O)N[C@H]2CCOC3(CCS(=O)(=NC(=O)C45CC(C4)C5)CC3)C2)C1 2332238287 KDPKGDJEBJINGL-RHEQXYMHSA-N 436.618 3.435 0 50 IGAA COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3cccnc3)C(=O)[C@H]12 842039 YFQQDGIOGNNYHE-FPAXGFGJSA-N 440.499 3.247 0 50 IGAA COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 2876584 VFMHRUACOYCFBJ-UHFFFAOYSA-N 449.287 3.324 0 50 IGAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCN4CCCCCC4=O)C3)C2)c1 11704187 IMLHQTYJLHYUPC-VWLOTQADSA-N 427.589 3.302 0 50 IGAA COc1ccc(-n2c(CNC(=O)c3cccc(N4CCCC4=O)c3)nnc2SC)cc1 12078269 NODRIWRDKZADTP-UHFFFAOYSA-N 437.525 3.055 0 50 IGAA COc1cc(C(=O)N(C)Cc2nonc2C)ccc1OC1CCN(C2CCCC2)CC1 12092270 VSCBJYBHHXKSQY-UHFFFAOYSA-N 428.533 3.445 0 50 IGAA C[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)C2)C1 12211055 ULVXECYZSQRILH-QUCCMNQESA-N 446.551 3.353 0 50 IGAA C[C@@H](Cc1ccsc1)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12218980 JZIKDDZGOSKWMT-INIZCTEOSA-N 435.549 3.211 0 50 IGAA CCCC[C@H]1CN(CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1 12244945 ABIKKFOJLGOHTO-IBGZPJMESA-N 434.540 3.383 0 50 IGAA COc1ccc(-n2c(CNC(=O)CCC(=O)c3ccc(F)cc3)nnc2SC)cc1 12247047 JDTULYVXZFLLQG-UHFFFAOYSA-N 428.489 3.416 0 50 IGAA COc1cccc(CCC(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c1 14882113 RGIMFZPQYXWPFF-AREMUKBSSA-N 449.551 3.077 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCC(c1ccccc1)c1ccccc1 14954534 WNFSOGPPWJHPEU-HSZRJFAPSA-N 433.577 3.387 0 50 IGAA COc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cccc(Cn4cccn4)c2)C3)nn1 14960192 ZPNUNSWQAYKMFS-FQEVSTJZSA-N 441.491 3.131 0 50 IGAA Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1-c1nccc(-c2ccco2)n1 14979656 VYQDABXSJGUDDG-UHFFFAOYSA-N 432.459 3.332 0 50 IGAA Cc1cc(C)n(CC(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 55269644 IVDDMCHKJPCWFT-OAQYLSRUSA-N 449.521 3.332 0 50 IGAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)cc1 59759802 BWUFTLRTNLUYKC-UHFFFAOYSA-N 444.557 3.128 0 50 IGAA CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F 103260612 PUXPEQJKNAWNQA-AAEUAGOBSA-N 449.840 3.114 0 50 IGAA in-vitro O=C(COc1ccccc1)Nc1cnn(C[C@H]2CCCCN2C(=O)COc2ccccc2)c1 170611340 SCDGDTNNFBFLEH-OAQYLSRUSA-N 448.523 3.361 0 50 IGAA Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)cc1Br 239046299 FMZGCDSOPNJRQI-VYVINXJXSA-N 429.314 3.058 0 50 IGAA O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccccc1 239173576 OFCMGCBKKRKOQT-UCHKQQSZSA-N 427.456 3.284 0 50 IGAA O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)c1ccccc1 239173577 OFCMGCBKKRKOQT-ZNHHMURHSA-N 427.456 3.284 0 50 IGAA Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 478603672 NPMMSWFKCXLKQM-KCZVDYSFSA-N 445.523 3.316 0 50 IGAA C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1nnnn1-c1ccccc1 777231378 JHMDDHCIKANFNS-ZHRRBRCNSA-N 439.447 3.017 0 50 IGAA C[C@H]1CCCCN1Cc1ccc(CNC(=O)NCCNC(=O)c2n[nH]c3ccccc23)cc1 1875252673 CLYHFURZNJRXMB-SFHVURJKSA-N 448.571 3.167 0 50 IGAA COC(=O)[C@H](CNC(=O)C[S@](=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1C 1875383250 MHQLAYMQXHDTRQ-HBIPHATFSA-N 425.909 3.043 0 50 IGAA C[C@@]1(CNC(=O)c2ccc3[nH]nc(I)c3c2)COc2ccccc2O1 2325854210 SAHSIHHENFBSRL-GOSISDBHSA-N 449.248 3.127 0 50 IGAA N[C@@H]1CCCC=CCOc2ccccc2C(=O)N2C[C@H](CNC1=O)[C@@H](c1ccccc1)C2 2325894050 QMFMJPUMZFIETR-MDNUFGMLSA-N 433.552 3.105 0 50 IGAA COC(=O)C1=CN([C@H](C(=O)OC)c2ccccc2)C=C(C(=O)OC)C1c1ccc(F)cc1 717953 UTKSLCIBCOUPDM-NRFANRHFSA-N 439.439 3.253 0 50 IGAA Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N2CCOCC2)cc1 899420 KHXADKVGEUOXAJ-XMHGGMMESA-N 429.314 3.387 0 50 IGAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCC3 2777711 YSRNDJNAFOOEIO-UHFFFAOYSA-N 445.854 3.203 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1 11878650 OMZLLMVFBKXGGR-CQSZACIVSA-N 427.423 3.115 0 50 IGAA CCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccsc2C(=O)OC)CC1 12078158 OIRHASVIYFNTCV-UHFFFAOYSA-N 448.570 3.258 0 50 IGAA O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C(=O)[C@@H]1COc3ccccc3O1)CC2 12098255 PACFRPREXDGSCM-REWPJTCUSA-N 434.536 3.204 0 50 IGAA COc1cc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(OC)c1OC 12112307 VYNORNWFEXOOBM-IBGZPJMESA-N 447.620 3.257 0 50 IGAA COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C12CCN(Cc1ccc3c(c1)CCO3)CC2 12133060 OPWSLFBQPPTGPA-JOCHJYFZSA-N 434.536 3.178 0 50 IGAA COc1ccc(-n2c(CCNS(=O)(=O)/C=C/c3ccccc3)nnc2SC)cc1 12456017 OBZJQYKVXNQTRO-FYWRMAATSA-N 430.555 3.131 0 50 IGAA CN(C[C@H]1COCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12596489 ONDBJYUESYFSGA-VWLOTQADSA-N 438.568 3.260 0 50 IGAA COc1ccc(OC)c(CNCc2ccc(OC[C@@H](O)CN(C)C(C)C)c(OC)c2)c1 12611984 UVRGEQWTPVCRSJ-FQEVSTJZSA-N 432.561 3.082 0 50 IGAA Cn1cc(CCNC(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)cn1 14987142 UWSILZUQDNIFIG-AREMUKBSSA-N 430.552 3.418 0 50 IGAA O=C(NC1CCCC1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 14998604 DMUHWCJHTTVKCW-GOSISDBHSA-N 432.524 3.153 0 50 IGAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CCc2c(C)n[nH]c2C)CCO3)C1 15070697 OGCITWRVCYKFND-NRFANRHFSA-N 440.588 3.239 0 50 IGAA CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 16188384 MUFZIOSWBRHOHF-UHFFFAOYSA-N 429.361 3.430 0 50 IGAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(Cl)ccc2F)CCO3)CC1 19743468 LNGCPRXRDKXFOW-UHFFFAOYSA-N 445.922 3.178 0 50 IGAA O=C1C[C@@H](C(=O)N2CCOc3ccc([C@H](O)c4ccccn4)cc3C2)c2ccccc2N1 20785298 UXMITXMDJTWXQH-DVECYGJZSA-N 429.476 3.010 0 50 IGAA Cc1cc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C(C)C 22147705 JYLXMQPOVAKPCJ-NRFANRHFSA-N 426.557 3.405 0 50 IGAA Cc1ccc(OCCCNC(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 170595790 NSGDHYIUVYBLAW-UHFFFAOYSA-N 431.533 3.426 0 50 IGAA CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCc2ccco2)c2ccc(OC)cc2)c1O 253496615 XOGVHEHVLIPPLS-KRWDZBQOSA-N 440.452 3.110 0 50 IGAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 263588700 XJPWPPNBGMAUGL-SJORKVTESA-N 440.887 3.419 0 50 IGAA COc1cc2cc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)[nH]c2cc1OC 409414520 LMUGYXQLQBRRHR-UHFFFAOYSA-N 425.485 3.148 0 50 IGAA Cc1noc(-c2ccc(S(=O)(=O)NCC3(c4ccccc4)CCN(C)CC3)o2)c1C 1506417673 OHEDTGAFEZRBEA-UHFFFAOYSA-N 429.542 3.493 0 50 IGAA COC[C@H](NC(=O)NCCc1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 1875261060 WFCPWBBKLRJRMW-SFHVURJKSA-N 444.475 3.338 0 50 IGAA Cc1cc(=NC[C@@H]2C[C@H](C)N(C(=O)C3CCC4(CC3)CC(O)C4)C2)[nH]c(C(C)(C)C)n1 1875338276 RHTSWFQEJIINJM-CSFOOYPOSA-N 428.621 3.485 0 50 IGAA CCc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2)cc1 1149890 OLBKVSNTIRWYDI-UHFFFAOYSA-N 437.521 3.182 0 50 IGAA COC(=O)N[C@H](O[C@@H](NC(=O)OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 2141108 ZKEBAFLSGLILMK-QWWZWVQMSA-N 426.895 3.108 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 8828893 HWAYWXRSVANSSV-OAQYLSRUSA-N 439.487 3.211 0 50 IGAA CC1CCN(C(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)CC1 11407710 JBGMDVXIOINYHJ-LJQANCHMSA-N 429.590 3.293 0 50 IGAA CCCN(CC1CC1)C(=O)[C@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 11839983 PCHNNVZAVQYEFW-SFHVURJKSA-N 444.601 3.207 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1 12304599 YPQVNCKEWHCNPE-HXUWFJFHSA-N 433.556 3.151 0 50 IGAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c(OC)n1 12429567 LVXOOVDHQLXNQT-MRXNPFEDSA-N 429.492 3.187 0 50 IGAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccccc1)C2 14733104 ZOORJWIZKPBRBC-UHFFFAOYSA-N 443.551 3.064 0 50 IGAA Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)/C=C/c1ccc(Cl)cc1)C2 14985849 JQLSWVCKWBCHNI-QPJJXVBHSA-N 449.942 3.154 0 50 IGAA C=CCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cnc(-c3ccccc3)s1)CC2 14991444 KADDAGUQQYBBHD-LJQANCHMSA-N 425.554 3.352 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2-c1ccccc1 20345124 BIIYUNHAIQVTST-UHFFFAOYSA-N 435.867 3.344 0 50 IGAA Cc1cccc(OCC(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778048 JXSGRUNXRGVTAB-GOSISDBHSA-N 430.468 3.156 0 50 IGAA CC(C)COC(=O)N1CCN(C(=O)c2nc(Br)ccc2Br)CC1 170611156 ANFVFYWDSWZSDD-UHFFFAOYSA-N 449.143 3.157 0 50 IGAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2C)cc1 224226473 ZONUHVGTMYMEEA-FGZHOGPDSA-N 446.569 3.204 0 50 IGAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245242248 QPDLJKCBOLPAIZ-AZXNSQLWSA-N 435.911 3.334 0 50 IGAA C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@H]1Oc2ccccc2[C@H]1C 438980490 UDGAGAXMGXKZNK-JMDDDVKNSA-N 432.524 3.485 0 50 IGAA CC(=O)N1CCN(c2cccc(NC(=O)NC[C@](C)(O)c3cccc(Cl)c3)c2)CC1 782082367 OTTVZYMZQBYPNS-QFIPXVFZSA-N 430.936 3.038 0 50 IGAA O=C(NCc1ccc(-c2ccco2)cc1F)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 791060214 DPLSMCCZOQHVLU-CTNGQTDRSA-N 438.455 3.474 0 50 IGAA Cc1cc(CNC(=O)c2[nH]c3ccc(C(F)(F)F)cc3c2C)ccc1S(N)(=O)=O 1875321520 LKIICEHGOXTVIC-UHFFFAOYSA-N 425.432 3.381 0 50 IGAA Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)C(=O)N(C)CCN1CCCC1=O 2325818756 WRMKVNQLHIBSDD-UHFFFAOYSA-N 431.439 3.085 0 50 IGAA Cc1cc(I)ccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 727734 FQZBCUDVWBCVGL-NSHDSACASA-N 434.233 3.223 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 1116653 SMYQLAHQDSTUHZ-UHFFFAOYSA-N 428.869 3.061 0 50 IGAA CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2 1912845 GVIRYUNXUXAZSI-LBPRGKRZSA-N 433.482 3.154 0 50 IGAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 2478266 YCHLQJSMDAYPIG-MRXNPFEDSA-N 425.279 3.491 0 50 IGAA CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4763232 VJJCVQALEZQGME-SFTDATJTSA-N 426.513 3.372 0 50 IGAA COc1ccc(C(=O)N(C)CCOc2ccccc2)cc1OC1CCN(C(C)=O)CC1 12075541 AGZIXSJVOROIRA-UHFFFAOYSA-N 426.513 3.236 0 50 IGAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)C1CCOCC1 12575330 NPPLGYPFDUKZKV-UHFFFAOYSA-N 427.633 3.073 0 50 IGAA Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H](N1CCC(N3CCCCC3)CC1)C2 14753062 RPQUWJRBUHOUHP-HSZRJFAPSA-N 449.643 3.200 0 50 IGAA COc1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc(OC)c1O 19549438 RXDKMZSETHEIGD-UHFFFAOYSA-N 442.537 3.069 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1cccc(OC)c1 20418664 CKKZRUNDIFDJTM-UHFFFAOYSA-N 445.475 3.008 0 50 IGAA O=C(Cn1c(=O)oc2ccccc21)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 23129053 YTYJLEPXAJVVLX-XMMPIXPASA-N 443.503 3.347 0 50 IGAA O=C(O)CSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 100274257 WCQMLALXFFJZPA-UHFFFAOYSA-N 440.550 3.404 0 50 IGAA CCc1noc(-c2cn(C3CCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)nn2)n1 169778628 CXOQOMCDUUHPHC-CYBMUJFWSA-N 430.896 3.175 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 239378275 OMZZVFUQHSVKQX-ZVVFGRKBSA-N 434.529 3.418 0 50 IGAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCO[C@]2(CCOC2)C1 470197371 ZSKBSXHUHHTIBW-OAQYLSRUSA-N 427.551 3.468 0 50 IGAA CCCc1nc(C)c(CNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)s1 823015162 IISIUTDOXXCWCG-INIZCTEOSA-N 430.574 3.010 0 50 IGAA CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)nc1 1857531318 HLQDOUVFGJZBBP-UHFFFAOYSA-N 437.953 3.094 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2csc3ccccc23)CC1=O 2325819539 HYJVYZITXSKFQR-ZBFHGGJFSA-N 428.535 3.316 0 50 IGAA CN1CC[C@@H](c2nc(-c3ccc(OC(F)F)c(Cl)c3)nn2[C@@H]2CCCOC2)C1=O 2325827355 DBOGFWSBJFOOPE-OLZOCXBDSA-N 426.851 3.497 0 50 IGAA O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)CN1c2ccccc2Sc2ccccc21 877998 IMNYVCDBGTXLAY-HNNXBMFYSA-N 438.530 3.495 0 50 IGAA Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccncc1 1049693 XUEMMWZGZRXYPH-UHFFFAOYSA-N 432.509 3.364 0 50 IGAA COc1ccc(Cl)cc1N1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O 2863551 KZAWCNQYFUETHD-QGZVFWFLSA-N 445.756 3.233 0 50 IGAA NC(=O)C1CCN(C(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)CC1 9435469 NOEBSLRHACIGLZ-HOTGVXAUSA-N 439.413 3.020 0 50 IGAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697583 AFALPDLOVRQFQZ-UHFFFAOYSA-N 446.536 3.279 0 50 IGAA COc1ccc(-n2ccnc2CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cc1 11935678 WDZZJAWJSUOQJV-GOSISDBHSA-N 448.523 3.252 0 50 IGAA CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cncn3)cc2)c(Cl)cc1Cl 12413988 LUNHPJCFUBDANN-UHFFFAOYSA-N 440.312 3.077 0 50 IGAA Cc1cnc(CN[C@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)cn1 14950864 DXWCORMUZJPQJZ-SFHVURJKSA-N 431.565 3.446 0 50 IGAA O=C(c1cn(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)nn1)N1CCOCC1 14977500 IKKMRHAKCBFSBC-UHFFFAOYSA-N 443.551 3.159 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c2c1 22752927 DYIHRLDJILTPIW-UHFFFAOYSA-N 439.487 3.087 0 50 IGAA biogenic,in-vitro CC(C)N[C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 23360994 IESHFWGHULKATR-SFTDATJTSA-N 443.975 3.369 0 50 IGAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3N3CCCN23)cc1 138560707 WEAIATBNROELPU-IPMKNSEASA-N 426.314 3.293 0 50 IGAA COC[C@@H](Cc1ccccc1)N(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 170609890 WDIJDXAKTVEPMT-MRXNPFEDSA-N 425.554 3.122 0 50 IGAA COc1ccc2cc(NC(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)ccc2n1 170620635 KPTMTELUZZYQJP-OALUTQOASA-N 425.485 3.164 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@@H]54)[C@H]23)c(OC)c1 245255107 FNOJKBLDTYSVEE-VEMFDGEJSA-N 446.503 3.495 0 50 IGAA O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCCCCC1 247707057 FUMHCERRUYJJEV-RTBURBONSA-N 439.556 3.081 0 50 IGAA CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)C1 253426818 XZTMKVJIDDUPOI-GOSISDBHSA-N 441.494 3.402 0 50 IGAA Cc1c(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cccc1C(F)(F)F 471135691 FOMGHRJOFRXSCQ-LBPRGKRZSA-N 442.415 3.252 0 50 IGAA Cn1c(=O)ccc2ccc(NC(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)cc21 489518798 ALVRIMYNQBKEDA-SFHVURJKSA-N 432.459 3.073 0 50 IGAA Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)n1 1506403959 YBEPTXJKDJBUHB-NSHDSACASA-N 431.396 3.296 0 50 IGAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297672 DXLZLDCPYLXFJM-RUZDIDTESA-N 428.540 3.428 0 50 IGAA Nc1cncc(C(=O)N2CC([C@@H]3CCCCN(C(=O)c4ccc5cccnc5c4)C3)C2)c1 1875361637 XMFLEDDGEJIYPM-LJQANCHMSA-N 429.524 3.227 0 50 IGAA Cc1c(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)nnn1Cc1ccc2ncccc2c1 2325721724 MHRMIKRCXSZGLO-QHCPKHFHSA-N 440.551 3.182 0 50 IGAA O=C(NC1C[C@@H]2CN(C(=O)c3cn4ccnc4s3)C[C@H]2C1)c1scnc1C1CC1 2325876473 WPLZPVQGLCZDJU-CHWSQXEVSA-N 427.555 3.010 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC 1144887 JUWXQOVBRSZNMJ-UHFFFAOYSA-N 436.505 3.097 0 50 IGAA COc1ccc(CCNc2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)cc1OC 12027114 ZWBTYSMQGJQHLW-UHFFFAOYSA-N 442.541 3.144 0 50 IGAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N[C@H](C)c2nc3cc(C)ccc3[nH]2)c1=O 12097106 WOLSGVUQQHORSN-OAHLLOKOSA-N 435.528 3.389 0 50 IGAA Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 20590123 LWYKEIALGJITKN-UHFFFAOYSA-N 433.560 3.151 0 50 IGAA Cc1nn2c(ncc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 40397732 STNWDDAYEFWHKZ-UHFFFAOYSA-N 437.931 3.395 0 50 IGAA Cc1ccn(-c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)ncn2)n1 72441884 RMJJKQFHVVUQKU-UHFFFAOYSA-N 431.422 3.344 0 50 IGAA CN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)[C@@H]1c1ccccc1 170607328 XZUDKYYJSBSKGJ-FDDCHVKYSA-N 434.521 3.492 0 50 IGAA Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc(S(N)(=O)=O)c(F)c4)n3)c2)n1 473816516 HPZQYCRVDALRMV-UHFFFAOYSA-N 427.461 3.052 0 50 IGAA CCOc1cc2c(cc1CNC(=O)C(=O)Nc1ccc(OCC)c(OC)c1)O[C@@H](C)C2 481204877 ZRRKYPZBOQVTNW-AWEZNQCLSA-N 428.485 3.071 0 50 IGAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2ccccc2)CC1 1565510529 OQEHLEZKEZPNKY-UARRHKHWSA-N 433.596 3.172 0 50 IGAA Cn1cncc1CN(CCO)C(=O)Cn1c(SC2CCCCC2)nc2ccccc21 1704312056 YINXELRWJAYUMT-UHFFFAOYSA-N 427.574 3.216 0 50 IGAA COC[C@H](Oc1cc(F)cc(F)c1)C(=O)N=c1[nH][nH]c2ccc(Br)cc12 2325840180 SJNXCKIGQVLXRF-HNNXBMFYSA-N 426.217 3.058 0 50 IGAA CC1=C(C(N)=O)[C@H](c2cccc(O)c2)N2NC(SCc3ccccc3Cl)=NC2=N1 958573 VHNFLVDMYRUBRO-KRWDZBQOSA-N 427.917 3.325 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Br)c2)cc1C 1123433 PDXFICQEFOKBAI-UHFFFAOYSA-N 427.320 3.025 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)cc1OC 11816311 RJACSWGOXLDFEL-LJQANCHMSA-N 440.588 3.095 0 50 IGAA COc1cccc(CNC(=O)CC[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 12315654 VFEOQSFEOIWUJU-QGZVFWFLSA-N 434.533 3.332 0 50 IGAA COc1ccc(CNCCc2cccnc2)c(OC[C@H](O)CN2CCCCCCC2)c1 12318479 PPYWJZMNFRTPPM-HSZRJFAPSA-N 427.589 3.428 0 50 IGAA C/C=C(\C)CN1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(CCCN(C)C)C2=O)CC1 14879050 RPTUCNHNDZIOHE-RPWIQBKRSA-N 444.595 3.289 0 50 IGAA CCOC(=O)N1CCC(N2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)CC1 14963917 QDPAUELEFLIGSA-SFHVURJKSA-N 425.533 3.144 0 50 IGAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(C/C=C/c2ccccc2)CC1 16625712 LCBJRNDCAIRSOT-RMKNXTFCSA-N 434.565 3.106 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19770556 XFCAYXOLQUVSCS-HXUWFJFHSA-N 429.586 3.105 0 50 IGAA COCCN1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 20511990 SHIFVXBYRAJPMA-UHFFFAOYSA-N 434.540 3.091 0 50 IGAA O=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccc(Br)cn1 23095823 PUAKXAFZHHBUOC-UHFFFAOYSA-N 433.394 3.369 0 50 IGAA COc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)n2)cc1 28292827 CIZWUFIPRQAHCQ-QFIPXVFZSA-N 432.524 3.198 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl 32578260 FKZKGULZLVWLLS-NQIIRXRSSA-N 437.918 3.114 0 50 IGAA O=C1c2cccc(N3CCN(Cc4ccc(F)cc4F)CC3)c2C(=O)N1C[C@@H]1CCCO1 64103144 WWTYHEYCSKCMAG-SFHVURJKSA-N 441.478 3.062 0 50 IGAA Cc1c(Cl)cccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169760413 GLNLFKQKHQSBHD-UHFFFAOYSA-N 440.862 3.395 0 50 IGAA Cc1cc(C)n(CCNC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n1 253414543 XTGFRWPLDRVBRE-FQEVSTJZSA-N 439.560 3.244 0 50 IGAA O=C1C[C@H]2[C@H](CCN2C(=O)c2ccccc2N2CCOCC2)N1Cc1ccc(Cl)cc1 1857684610 VCFANLQXNQLSDE-VXKWHMMOSA-N 439.943 3.192 0 50 IGAA Cc1ccc(-c2cnccn2)cc1NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 2325743044 YCIHSIVYEPTDJH-GOSISDBHSA-N 444.539 3.127 0 50 IGAA CC(C)(C)[C@@H]1CN(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325895649 GBGFZUNAEAAHDQ-CTNGQTDRSA-N 445.519 3.238 0 50 IGAA Cc1ccc(S(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C(F)F)cc1 950024 DNPWATBJAIBJGE-UHFFFAOYSA-N 430.498 3.197 0 50 IGAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1cccnc1 1093785 SXAKSZKTGAVXEP-UHFFFAOYSA-N 429.929 3.242 0 50 IGAA CCS(=O)(=O)c1ncc(CN(CC2CC2)C[C@H]2CCCO2)n1CCc1ccccc1 11935374 MMOSWPHPMOALFW-JOCHJYFZSA-N 431.602 3.310 0 50 IGAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)cc2)c1 12836878 VAWWFNVYYFFLAK-HXUWFJFHSA-N 435.524 3.162 0 50 IGAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CCC(=O)N(C)C)O3)c1 14999508 MNUGSYWWCFENAY-SFHVURJKSA-N 444.915 3.082 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 15659640 CPLMOOWQSCPCSR-FBHQFGEZSA-N 448.544 3.115 0 50 IGAA COc1ccc(OC)c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 55198328 OOURECOPWXANJP-HXUWFJFHSA-N 427.520 3.270 0 50 IGAA O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1 64245736 MSTXJJGAXXJCBY-UHFFFAOYSA-N 446.526 3.137 0 50 IGAA in-vitro COc1cc(OC)cc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)c1 169775807 CMLXUSFYWGOHAY-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 238047167 IKLJTZGXPRDQIW-GOSISDBHSA-N 426.270 3.287 0 50 IGAA CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)C1 2325725415 OSSFVDCSBDCGHH-IBGZPJMESA-N 444.560 3.480 0 50 IGAA COc1ccc(CCN(C(C)=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 842654 MPBMQYPRQSVSHY-IBGZPJMESA-N 445.313 3.181 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccccc2C(=O)OC)C1 12385694 WEABMTINKKDJEB-QHCPKHFHSA-N 445.537 3.050 0 50 IGAA Cc1c(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccccc2)cnn1C 14740864 BLHIOCPGQMDMAW-UHFFFAOYSA-N 437.588 3.226 0 50 IGAA Cc1nc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)cs1 14754543 YJMVSIKZSLQVBQ-FQEVSTJZSA-N 435.597 3.373 0 50 IGAA COc1ccc(-c2cc(N3CCCN(C(=O)c4cc(OC)cc(OC)c4)CC3)[nH]n2)cc1 169755630 ANDOIUZYKKKXCR-UHFFFAOYSA-N 436.512 3.455 0 50 IGAA CC(C)CN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 240626751 HJAGGNIYQASAOM-FCHUYYIVSA-N 437.584 3.165 0 50 IGAA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(N4C(=O)[C@H]5[C@@H]6C[C@H](C=C6C)[C@H]5C4=O)c3)C(=O)[C@@H]12 253591872 JKROXVDDUXEPSC-RZPZPBHASA-N 428.488 3.090 0 50 IGAA C[C@@H](CNC(=O)c1ccoc1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 299781606 VMDLTPHMGHSXOE-FQEVSTJZSA-N 434.540 3.190 0 50 IGAA O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 1129238 KYXCNGNFHKLHNJ-JPYJTQIMSA-N 446.459 3.035 0 50 IGAA CCn1nc(C)c(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c1C 2776943 JWGKYADAIGZPTP-UHFFFAOYSA-N 436.276 3.465 0 50 IGAA COCCNC(=O)c1cc(I)c(OCc2ccccc2)c(OC)c1 3105366 OUEKOTDXZLRNOP-UHFFFAOYSA-N 441.265 3.255 0 50 IGAA O=C(c1cccc(Cl)c1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 9906764 CLPRLNIDUQTVOX-LJQANCHMSA-N 429.879 3.005 0 50 IGAA COc1ccc(C(=O)NCc2nnc(SC)n2Cc2ccccc2)c(OC)c1OC 12136085 VIQHNEKVCMUOIB-UHFFFAOYSA-N 428.514 3.004 0 50 IGAA CC(C)CS(=O)(=O)c1ncc(CN2CCCC[C@H]2CCCO)n1Cc1ccccc1 12314221 DRSVXZWUYRQRRO-NRFANRHFSA-N 433.618 3.488 0 50 IGAA CC(C)(C)C(=O)N1CCc2c(c(C(=O)NCc3nccs3)nn2Cc2ccccc2)C1 14743100 WGNDHYNSKLUZRE-UHFFFAOYSA-N 437.569 3.249 0 50 IGAA COc1ccc(Br)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 19852808 UAZRCRPGTJUHMX-UHFFFAOYSA-N 439.375 3.105 0 50 IGAA O=C(C1CCN(C2CCN(C/C(Cl)=C/c3ccccc3)CC2)CC1)N1CCOCC1 20451905 XCSWJOCJIQINMB-PYCFMQQDSA-N 432.008 3.302 0 50 IGAA CC(C)Cn1c(CN(C)CCOc2ccccc2)cnc1S(=O)(=O)C[C@@H]1CCCO1 20918791 LVCJDICRTYORJC-NRFANRHFSA-N 435.590 3.003 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3nnc(-c4ccccc4O)o3)C2=O)cc1 100896827 DOIQLQNYNDXUAT-MRXNPFEDSA-N 439.449 3.043 0 50 IGAA CCc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169758012 SDMWNYWUQYBKSM-FQEVSTJZSA-N 425.872 3.418 0 50 IGAA O=C(c1cc(-c2ccc(Br)s2)n[nH]1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225421841 ZIWPNTSPVDDRIP-NEPJUHHUSA-N 445.342 3.322 0 50 IGAA biogenic CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1 263616513 JDBNEZFXRZGSHL-KRWDZBQOSA-N 432.528 3.422 0 50 IGAA O=C(CN1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1)NC1CCCCC1 487230266 MIJAHUKFZIAFMX-VWLOTQADSA-N 435.568 3.400 0 50 IGAA O=C(O)CC[C@@H]1CN(Cc2ccccn2)CC[C@@H]1N1CCN(c2ccccc2F)CC1 1075989214 CFTKKYPTNQYBSL-KNQAVFIVSA-N 426.536 3.098 0 50 IGAA Cc1cnn(C2CCCC2)c1NC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 1529172434 LXAKXHGSYHOOFH-SFHVURJKSA-N 425.533 3.234 0 50 IGAA CSCC(=O)N1C[C@H]2CN(c3ccnc4ccc(Cl)cc34)C[C@@]2(CCC(=O)O)C1 1800411097 FGZINKPLWKTTIF-SZNDQCEHSA-N 433.961 3.381 0 50 IGAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCc2cc(O)ccc2C1 1875301384 HPWCPVJGQDYWNA-GOSISDBHSA-N 435.402 3.164 0 50 IGAA CC(C)c1ncc2c(n1)CN(c1ccc(S(=O)(=O)N[C@@H](C)C3CCOCC3)cc1F)C2 1875342676 CCRWNGXDGABSOO-HNNXBMFYSA-N 448.564 3.353 0 50 IGAA COc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 971906 RGYQWCIJMSHBFM-JOCHJYFZSA-N 443.455 3.329 0 50 IGAA OCCNC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 2070798 OXGQUYAYFRUDHS-ZDUSSCGKSA-N 442.151 3.262 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)Cn1cnc3ccccc31)CC2 11785005 OGPWUORZRJYPAY-QGZVFWFLSA-N 432.480 3.032 0 50 IGAA Cc1nc(C)n(CC(=O)NC[C@H]2Cc3cc(-c4cnc5ccccc5c4)cc(F)c3O2)n1 12079562 COQUTUCTTORVFX-HXUWFJFHSA-N 431.471 3.369 0 50 IGAA CCOc1ccccc1N1CCN(C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)CC1 12315012 SKICBPQINZLJCT-UHFFFAOYSA-N 443.910 3.480 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)COc2ccccc2OC)C1 12581598 MBVVLLQFSZZQBA-RUZDIDTESA-N 441.524 3.497 0 50 IGAA CCOc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1CO 12750013 KAWRMPVSUDTJLJ-FQEVSTJZSA-N 431.621 3.122 0 50 IGAA COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3CCCO3)CC2)N(C)C(=O)c2ccco2)c1 14998128 JUPVLGUAFWODGB-FYYLOGMGSA-N 440.540 3.389 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 19884349 SAYCNTJYNINOMG-IBGZPJMESA-N 425.602 3.499 0 50 IGAA Cc1nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(-n2cccn2)n1 23144575 NXIWLGZRXAGGSS-UHFFFAOYSA-N 431.422 3.344 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1 169618756 UDZFWDJFUNALQA-QPJICYPMSA-N 433.460 3.437 0 50 IGAA Cn1cc(/C=C/C(=O)OC2CCN(CCOc3cccc(Br)c3)CC2)cn1 170617227 NSMOLXSPWSIJJD-AATRIKPKSA-N 434.334 3.282 0 50 IGAA CCCN(C)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263615892 FUDASIKWYDLXTI-FQEVSTJZSA-N 428.508 3.014 0 50 IGAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 472007241 CSWOFNBFLCFAJR-SJLPKXTDSA-N 448.292 3.314 0 50 IGAA COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 499560700 MIPYPXCOMKIQDC-QGZVFWFLSA-N 438.532 3.338 0 50 IGAA COCCn1c(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)cc2ccccc21 2325737540 YLLNGGYMHSKOJW-KRWDZBQOSA-N 430.555 3.206 0 50 IGAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)ccc1O 641528 PPHHNZWJDHKSDP-FQEVSTJZSA-N 443.525 3.240 0 50 IGAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCCc2ccccc2)cc1 4691028 QPIIMZZWVIHUQS-HXUWFJFHSA-N 425.554 3.474 0 50 IGAA CCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)c2ccc(C)nc21 8592670 BWMJDSQVTBKMSM-UHFFFAOYSA-N 429.860 3.182 0 50 IGAA O=C(c1cccc(N2CCOCC2)c1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 11844412 ZJKXWWVFAQMISU-DEOSSOPVSA-N 430.495 3.259 0 50 IGAA O=C(CCC1CCN(C(=O)C(=O)c2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12458984 VYLAOMUHYKVGOE-DEOSSOPVSA-N 447.579 3.279 0 50 IGAA O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2ccn[nH]2)c1 150276419 VOVZXURTCKPRDQ-AWEZNQCLSA-N 449.845 3.463 0 50 IGAA COc1ccccc1N1CC[C@H](C)N(CCCOc2ccc(S(C)(=O)=O)cc2)CC1 225613977 RORCLUFFRQWGFO-IBGZPJMESA-N 432.586 3.468 0 50 IGAA CC(C)[C@@H](NC(=O)CN1CC[C@@H](OCc2ccncc2)C1)c1ccc2c(c1)OCCCO2 252536398 ILPYHXFLCNKSQV-PXDATVDWSA-N 439.556 3.347 0 50 IGAA O=C(O)CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCN(c2ccccc2F)CC1 299754918 CFTKKYPTNQYBSL-SIKLNZKXSA-N 426.536 3.098 0 50 IGAA CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)[C@](C)(c2ccc(S(C)(=O)=O)cc2)N=C1O 328594788 BPUJWOWQMKPIKK-JTSKRJEESA-N 446.525 3.230 0 50 IGAA COc1cc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)cc(-n2cccn2)c1 471493526 PIUJAJXMFBINPM-UHFFFAOYSA-N 435.513 3.240 0 50 IGAA CCc1c(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)nnn1Cc1ccc(F)cc1 492051239 VHNZGXPMCGIMFE-UHFFFAOYSA-N 445.445 3.407 0 50 IGAA C[C@@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)c1cccc(N2CCCS2(=O)=O)c1 1875260035 MPFUEYJRBWYGSH-CYBMUJFWSA-N 444.538 3.056 0 50 IGAA CCc1cc(NCC[C@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)n2ncnc2n1 1875287967 IDWZBAZSCPKHMU-AWEZNQCLSA-N 426.488 3.091 0 50 IGAA Cn1c(-c2ccccc2)c(C(=O)NS(=O)(=O)c2ccc(C(N)=O)s2)c2ccccc21 2325727585 WRRQYQGGZDYTHZ-UHFFFAOYSA-N 439.518 3.124 0 50 IGAA Cc1c(NC(=O)c2ccc(I)cc2)c(=O)n(-c2ccccc2)n1C 1051151 GZBALIAMXXEKSK-UHFFFAOYSA-N 433.249 3.341 0 50 IGAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1Br 1182347 ROHWFVZKTHGBKG-UHFFFAOYSA-N 431.739 3.185 0 50 IGAA CCOC(=O)C(=O)N1c2ccccc2[C@H](N(C(=O)C(=O)OCC)c2ccccc2)C[C@H]1C 2266600 XMQNTLAVAJKJAH-OXQOHEQNSA-N 438.480 3.012 0 50 IGAA COc1cccc(CC(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)[C@H](OC)c3ccccc3)C2)c1 12508505 FERYSFQOADKJLH-GZGNHOFSSA-N 436.552 3.465 0 50 IGAA CS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 13681339 DPPLREVCCAFUQD-UHFFFAOYSA-N 427.448 3.039 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(Cl)cc1 13775485 IBXQWOAMHLLBJU-FYXHJSOBSA-N 428.897 3.045 0 50 IGAA COc1ccc(-c2n[nH]cc2CN(C)Cc2nnc(SC)n2C[C@H]2CCCO2)cc1 14992278 CRIFNTRJIJSMHN-GOSISDBHSA-N 428.562 3.210 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cc(CC(C)C)[nH]n3)C2)cc1OC 15076325 AKCHYIFVAJTLBG-HXUWFJFHSA-N 428.577 3.405 0 50 IGAA CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 19838697 LFZDYEXRZVNUGD-UHFFFAOYSA-N 429.590 3.080 0 50 IGAA O=C(NCc1ccccc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169758679 AVESBRFGBDOKNT-HSZRJFAPSA-N 444.535 3.323 0 50 IGAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(Cc1ccc(F)cc1)CC1CC1 170591350 FLVYXGAMTGSNDW-FQEVSTJZSA-N 435.540 3.230 0 50 IGAA CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239174178 PLDPZSGNYYPGFG-PXVQWCDCSA-N 428.488 3.246 0 50 IGAA COc1ccc(C(=O)COC(=O)CN2c3nc4ccccc4nc3[C@@H]3C=CC=C[C@H]32)cc1 239358471 NKAFBPIKQDGPQV-WIYYLYMNSA-N 427.460 3.463 0 50 IGAA CC[C@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)n1nnc(-c2ccc(Cl)cc2)n1 465098628 HYLJLZNJLBCNKH-GOSISDBHSA-N 448.918 3.246 0 50 IGAA Cc1ccc2nc(CNC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)[nH]c2c1 465180452 AORCHKFDKZWILL-IRXDYDNUSA-N 440.569 3.468 0 50 IGAA Cc1noc2ncc(C(=O)NC[C@@H]3[C@H](C)CCCN3C(=O)c3cnc4onc(C)c4c3)cc12 1875264750 UXRRQBRXFHSZHC-CWTRNNRKSA-N 448.483 3.047 0 50 IGAA CS(=O)(=O)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1875390863 WTZRAUQMAMWYET-UHFFFAOYSA-N 440.912 3.489 0 50 IGAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCC(=O)Nc2ccccn2)cc1 2049513461 XADVBKUUCUMGAT-UHFFFAOYSA-N 447.447 3.062 0 50 IGAA C[C@@H](c1cccc(Cl)c1)S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325820086 ZVONBVYEXZETDA-RVKKMQEKSA-N 434.945 3.457 0 50 IGAA Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccoc2C(=O)O)ccc1F 2325874487 OLDLYOIDPBVEHK-UHFFFAOYSA-N 432.429 3.156 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 653633 ZPCLJOBAZJMNTG-DPWKNNTCSA-N 442.924 3.353 0 50 IGAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OCC(=O)c3ccccc3)cc1)C2=O 704773 RQEMPLKVXLHJAT-UHFFFAOYSA-N 429.384 3.225 0 50 IGAA Cc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 3198526 WYANGHCRAYVOGQ-UHFFFAOYSA-N 431.539 3.186 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 8983914 MPMYFIHGGBRZGL-UHFFFAOYSA-N 440.587 3.452 0 50 IGAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCCC2)cc1 10013797 PVTASSIMRYACCH-UHFFFAOYSA-N 430.570 3.378 0 50 IGAA COc1ccc(CCNC(=O)c2cn(CC3CCCCC3)cc(C(=O)N(C)C)c2=O)cc1 11881760 MOKJZKBANXLKOT-UHFFFAOYSA-N 439.556 3.112 0 50 IGAA COc1ccc(CC(=O)N2N=C(C)C[C@@]2(O)c2ccc(Br)cc2)cc1OC 12436577 VZXMGUOMHHOMQO-HXUWFJFHSA-N 433.302 3.462 0 50 IGAA CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N(C)C[C@@H](O)c2ccccc2)c1 12470983 AKCCTEPUOVOBOR-HSZRJFAPSA-N 447.535 3.165 0 50 IGAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)c(Cl)c1 12594744 OVOWTNVRQSRQOR-UHFFFAOYSA-N 430.936 3.279 0 50 IGAA COC(=O)[C@@H](CCSC)NC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 15078127 DEOKEZNHRSJZGW-CQSZACIVSA-N 435.527 3.196 0 50 IGAA CC[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cnn3C)c2C(=O)N2CCOCC2)C1 17100996 MXZCFGPARWLYJD-GFCCVEGCSA-N 436.965 3.375 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@@H]1CCCN12 136598945 CAJNLWNSIOWMER-HOSCZWGSSA-N 449.938 3.494 0 50 IGAA COc1ccccc1OCCNC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206642884 FTEKKTVBCAIRPN-UHFFFAOYSA-N 429.480 3.206 0 50 IGAA O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 252538644 NCPOEFLGKRURGH-QGZVFWFLSA-N 435.509 3.291 0 50 IGAA COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1 263615676 DPKKVELJYQBZIZ-UHFFFAOYSA-N 430.507 3.410 0 50 IGAA C[C@@H](NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1ccc(N2CCCNC2=O)cc1 812569479 DUMCAGBUXONCKX-MRXNPFEDSA-N 434.471 3.387 0 50 IGAA COc1ccc2cc1OCCCN(C(C)=O)CC(=O)NCCc1c([nH]c3ccccc13)C2 1857688765 HXYUTCUQJJNFJS-UHFFFAOYSA-N 435.524 3.057 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)CCc2c(C)nc(O)nc2O)cc1 1875262677 ZGWLHTRNHVFRSD-QFIPXVFZSA-N 435.524 3.454 0 50 IGAA COCCC(=O)N1CCC[C@@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 11997420 WKGFKOKZHHUEDQ-MRXNPFEDSA-N 447.532 3.290 0 50 IGAA O=C(CCOc1ccccc1)Nc1cnn(CC(=O)N[C@H](c2ccco2)C(F)(F)F)c1 11998750 PTSQDDKQFXAICV-LJQANCHMSA-N 436.390 3.304 0 50 IGAA COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12092819 PCDASUHQETUXRR-HXUWFJFHSA-N 432.565 3.023 0 50 IGAA O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13692891 KTJMNWZRSVCJIG-UHFFFAOYSA-N 429.517 3.163 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(Cc1ccc(NC(C)=O)cc1)CC2 14539059 JEBRWESUXICLMB-UHFFFAOYSA-N 433.512 3.020 0 50 IGAA Cc1nc(CN(C)Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)[nH]2)cs1 14986993 RQFQSZOUYFPGIO-UHFFFAOYSA-N 426.586 3.470 0 50 IGAA COc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1 15068702 XFPLIQWWSSNNMG-UHFFFAOYSA-N 425.573 3.372 0 50 IGAA Cc1nnc(SCCNC(=O)[C@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)s1 19112550 RSRSHNUKZHBAQK-MRXNPFEDSA-N 432.550 3.115 0 50 IGAA COc1cccc(-c2cc3c(n(CC4CC4)c2=O)CCN(C(=O)[C@H]2CCCO2)C3)c1OC 20538846 MIKGSAMPBPRSJO-JOCHJYFZSA-N 438.524 3.006 0 50 IGAA CN(Cc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 55169076 QXNMZXJZWIYMPE-VWLOTQADSA-N 442.563 3.063 0 50 IGAA CCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n(C)n1 55568969 FKORPMNLLHLNBK-HXUWFJFHSA-N 449.521 3.428 0 50 IGAA CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O 169780811 SQYFZCXDBLTGQU-FQEVSTJZSA-N 425.872 3.418 0 50 IGAA CCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 170631034 ZZODWXJPCQMEAA-UHFFFAOYSA-N 426.513 3.066 0 50 IGAA CC(C)[C@H](NC(=O)CN1CCC[C@@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2 230128098 RSQXAORWXFWUKL-DFBJGRDBSA-N 440.588 3.349 0 50 IGAA Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 247829093 KKLZCNMVZQZMPF-LYXWCMDISA-N 435.911 3.075 0 50 IGAA COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC1(CCN(C(C)=O)CC1)CC3=O 253412704 RTJDDTVCDRVMIY-GOSISDBHSA-N 435.476 3.483 0 50 IGAA biogenic Cc1ccc(-c2nn3ccn(Cc4nc(-c5cccc(C)c5)no4)c(=O)c3c2CO)cc1 263615652 DMSNMALBBKTWRT-UHFFFAOYSA-N 427.464 3.370 0 50 IGAA O=C([C@@H]1C[C@H]1c1ccccc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 1775976853 QPUFHTVSZXMPTH-HYVNUMGLSA-N 438.343 3.362 0 50 IGAA COc1cc(CN)ccc1Oc1ccc(C(=O)N2CC[C@@]3(CCCNC3)C2)cc1OC 1857694082 ZXXKYFVWXFKSDW-XMMPIXPASA-N 425.529 3.171 0 50 IGAA NC(=O)c1cc2c(nc1O)CCC[C@H]2NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 1875257779 GIPIXWQVMBZHAA-QRBZPYHOSA-N 448.454 3.420 0 50 IGAA Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 2325738049 JOZKRNHTIOSWGA-INIZCTEOSA-N 429.454 3.396 0 50 IGAA O=C(c1nn(-c2ccccc2F)cc1Br)N1CC[C@H](Oc2ccncc2)C1 2325738866 XJCGBISLLPVWMU-AWEZNQCLSA-N 431.265 3.462 0 50 IGAA CCOCCOC(=O)c1cccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1771513 KCEOXZBDNIJELP-FQEVSTJZSA-N 438.480 3.139 0 50 IGAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(I)cc2)c1 2876377 OCFMUUZFNRVPPM-UHFFFAOYSA-N 439.205 3.117 0 50 IGAA COc1cccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1OCC(=O)O 2978137 JAGYBJSNTPCKJL-GOSISDBHSA-N 426.454 3.236 0 50 IGAA O=C(NCCCn1ccnc1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12305583 GWWKBGOYWRABIO-FQEVSTJZSA-N 430.556 3.252 0 50 IGAA CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1 14879761 OWSRJNBAEMFHND-SFHVURJKSA-N 449.555 3.235 0 50 IGAA COc1ccccc1CN(C)Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 15077066 KRZFYQHSZYVJBB-NRFANRHFSA-N 446.613 3.124 0 50 IGAA COc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)c(OC)c1 19634902 LMBZMJDZFYAAKU-UHFFFAOYSA-N 441.859 3.250 0 50 IGAA CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1 169772974 AILIRNMSDFZFAN-VIFPVBQESA-N 449.334 3.292 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 229892105 UVNBHTBTYNDYFU-KCXPTXFHSA-N 441.409 3.137 0 50 IGAA COc1c(Cl)cccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@H]1C(=O)c1ccccc1 245247501 TYQAZIKKXTXBDT-QWQRMKEZSA-N 428.794 3.453 0 50 IGAA CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H](c1ccccc1)c1ncc[nH]1 493276618 LCMDYIIGKPWYPD-SFHVURJKSA-N 441.285 3.365 0 50 IGAA COc1ccc(CCN(Cc2ccccc2F)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 952977143 SKZOAPNUODCMNU-SFHVURJKSA-N 434.533 3.023 0 50 IGAA Cc1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)ccc1N1CCOCC1 1704357363 RBDMTEAQVBPUPF-BWKNWUBXSA-N 431.536 3.055 0 50 IGAA NC(=O)c1ccccc1Oc1cccc(NC(=O)NCCCc2nnc3ccccn23)c1 1875265315 GQNXHBYQHBNLFM-UHFFFAOYSA-N 430.468 3.375 0 50 IGAA O=C(N=c1[nH]nc(C2CCOCC2)s1)NC[C@H](CCO)c1ccc(C(F)(F)F)cc1 1875320105 GYJUQVUFYMEOHS-AWEZNQCLSA-N 444.479 3.161 0 50 IGAA COc1ccc(F)c(C(=O)NC[C@]2(C(C)(C)C)CCN(C(=O)c3cc(N)c(F)cn3)C2)c1 2325824751 PACOWBWTAWIRGH-HSZRJFAPSA-N 446.498 3.259 0 50 IGAA O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc(Br)c1 805968 SJVXFJDZGPSFEB-GOSISDBHSA-N 432.293 3.042 0 50 IGAA CN(C)c1cccc2c(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)cccc12 4517305 XESDLBBWXMRQDN-HXUWFJFHSA-N 437.521 3.361 0 50 IGAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)c1 10059468 UKCLMMVKQVZDDL-GOSISDBHSA-N 436.574 3.111 0 50 IGAA CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)N1CCC(C)CC1 11413199 VRSIXONVJRWWPI-UHFFFAOYSA-N 435.981 3.483 0 50 IGAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)C1 14964638 SFUFHULMSYELAK-HXUWFJFHSA-N 428.492 3.298 0 50 IGAA COc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc(OC)c1OC 169765589 LZNDAOYTFSYBHB-UHFFFAOYSA-N 437.496 3.253 0 50 IGAA O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772822 NGLGCSPAPAZXPL-SECBINFHSA-N 446.330 3.262 0 50 IGAA COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC 170625520 MLCDHFMZTZSSRM-SFHVURJKSA-N 436.468 3.024 0 50 IGAA biogenic NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccc4cccnc4c2)CCO3)C1 299769377 MTIFDFOYJJQLBS-JOCHJYFZSA-N 430.552 3.327 0 50 IGAA COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2onc4c2CCCC4)C3)nc1 426362123 ZTZYMLNIELRXFZ-MRXNPFEDSA-N 433.464 3.136 0 50 IGAA C[C@@]1(C2CCN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CC2)NC(=O)NC1=O 748375757 OOSCIORJTHIXHS-VWLOTQADSA-N 446.482 3.491 0 50 IGAA Cc1ccc(CS(=O)(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1C 1875301166 BVBPAMPTDVVOTH-SFHVURJKSA-N 442.459 3.427 0 50 IGAA CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC3(CCC3)S(=O)(=O)CC1)O[C@H](C)C2 1875334182 CJMASTHDNGOIRX-HHXXYDBFSA-N 433.570 3.082 0 50 IGAA O=C(N=c1ccn(-c2cncnc2)[nH]1)c1cc(-c2cccs2)nc2onc(C3CC3)c12 2325737719 QINLFHKERKEPKN-UHFFFAOYSA-N 429.465 3.479 0 50 IGAA Cc1cc(I)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 836045 ROHGTDUCKRJQJW-UHFFFAOYSA-N 442.322 3.111 0 50 IGAA O=C(NC[C@H]1CCCO1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 907937 GQWHMNWCKWWTAX-KDOFPFPSSA-N 442.537 3.314 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cccs3)CC2)cc1)N1CCC[C@@H](CO)C1 11841438 IRBOLLSZIXLWKG-LJQANCHMSA-N 427.614 3.394 0 50 IGAA Cc1nc(N2CCC[C@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)nc2ccc(F)cc12 11996436 HXRNPQMYNZZHJD-QHCPKHFHSA-N 449.530 3.199 0 50 IGAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C 12410794 MMGZCSCHVOQJFQ-UHFFFAOYSA-N 447.413 3.216 0 50 IGAA CC[C@@H](Sc1nnc(CNC(=O)c2ccccc2F)n1CC)C(=O)NC1CCCC1 13956486 LVBITZCZYMDDHN-QGZVFWFLSA-N 433.553 3.297 0 50 IGAA CCn1cc(NC(=O)c2ccnn2COc2ccccc2Cl)c(C(=O)NCC(C)C)n1 13960296 PPNPGIFVADAAGJ-UHFFFAOYSA-N 444.923 3.428 0 50 IGAA CN(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55109402 FZWJKCPHXAEOSV-HXUWFJFHSA-N 433.474 3.097 0 50 IGAA Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 230541006 KGGZKBSOILTWJQ-UHFFFAOYSA-N 433.368 3.307 0 50 IGAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H](O)COC[C@H]1CCCO1)CC2 247937436 HFSJYKGSYCVNDM-PMAPCBKXSA-N 433.570 3.269 0 50 IGAA O[C@H](COc1ccccc1)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 261464176 XOLVCKPDEDEQQP-NRFANRHFSA-N 441.535 3.254 0 50 IGAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N1CCC[C@@H](C(=O)Cc3ccccc3)C1)C2 299786242 WISGZXJLNVARAD-PZJWPPBQSA-N 436.552 3.329 0 50 IGAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1)OCc1ccccc1 752249743 FLMAVBIDLAIESO-GOTSBHOMSA-N 447.539 3.054 0 50 IGAA O=C1C[C@H](c2ccccc2OC(F)(F)F)c2c(O)nc(N3CCSCC3)nc2N1 828323376 PMABGMPMRDJWGJ-LLVKDONJSA-N 426.420 3.108 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(OC(C)C)c2)C1 1857691048 YCKFHZZLHDLHCJ-MVERNJQCSA-N 443.632 3.303 0 50 IGAA CCOc1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 857904 IMKXRLHWJVZUOQ-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cccc(O)c3)C(C(=O)OC)=C2)cc1 1074867 BHYNERLVQXOGPR-UHFFFAOYSA-N 437.448 3.287 0 50 IGAA Cc1ccccc1[C@@]1(CC(=O)N(C)[C@H](C)c2ccon2)CC(=O)N(Cc2cccnc2)C1=O 12151822 FEKUWFHZAULBNQ-IQGLISFBSA-N 446.507 3.185 0 50 IGAA Cc1ccc([C@@H](C)CCN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 12205629 ZIFXFCCCLGKBPA-KRWDZBQOSA-N 439.535 3.229 0 50 IGAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)CN2CCOC2=O)CC1 12318201 UWDMYZWANRPUNL-UHFFFAOYSA-N 436.556 3.083 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(OC)c3)CC2)C1=O 14539057 LCLJVEIFJVOVFY-UHFFFAOYSA-N 437.540 3.141 0 50 IGAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN([C@H](C)CCn3cccn3)CC2)C1=O 14539979 YQNMZXLTACZJIE-OAQYLSRUSA-N 437.588 3.412 0 50 IGAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@H](c2ccccn2)C(F)(F)F)c1 14995825 ICOOLNAWAZNTLY-GOSISDBHSA-N 438.450 3.071 0 50 IGAA CCN1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccc(C)cc3)cc2OC)CC1 19606686 JKMCBIGVANZNDQ-DEOSSOPVSA-N 441.616 3.013 0 50 IGAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19839510 TZQDKLGXPDSRMZ-QFIPXVFZSA-N 446.551 3.068 0 50 IGAA COc1c(C)cnc(Cn2cc(I)c3c(Cl)nc(N)nc32)c1C 36377898 CEZDADICECYSPS-UHFFFAOYSA-N 443.676 3.340 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 67673948 SDUWTSIBVMCIDX-QFIPXVFZSA-N 435.568 3.471 0 50 IGAA CC(C)C[C@H](C(=O)NCc1cccc(NC(=O)C(C)C)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241644553 PRSDPQGHFWXVDJ-NJDAHSKKSA-N 439.556 3.263 0 50 IGAA CSc1ccc(C[C@@]2(CCC(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CCC(=O)N2)cc1 244595046 DNRCXNKXLZYRNL-XTLHRKHHSA-N 442.625 3.436 0 50 IGAA C[C@@H]1C[C@H](NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C 252480901 CGANAKFHMFTXPF-HMXCVIKNSA-N 431.577 3.182 0 50 IGAA O=C(N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)[C@@H](O)c1cc(Cl)cc(Cl)c1 769657165 JRXJDEVXCOIQAT-KGLIPLIRSA-N 430.654 3.238 0 50 IGAA COc1ccc(Cc2noc(C3(O)Cc4ccccc4C3)n2)c(Br)c1OC 1324344950 NKCQVECUGKSEPB-UHFFFAOYSA-N 431.286 3.427 0 50 IGAA COc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1 893111 OJRXDGGVIIHVPO-UHFFFAOYSA-N 434.492 3.220 0 50 IGAA CCOc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 2060850 JMAGMLOKKPIYQV-UHFFFAOYSA-N 442.990 3.413 0 50 IGAA COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 3267364 QLZUSWOYKLPEGM-IBGZPJMESA-N 427.478 3.462 0 50 IGAA CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N(C)C[C@H](O)c2ccccc2)c1 12470988 AKCCTEPUOVOBOR-QHCPKHFHSA-N 447.535 3.165 0 50 IGAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 14747842 GEXNVYPDGSODES-UHFFFAOYSA-N 442.585 3.021 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 14879906 FKKNMARMCGCZEH-SBUREZEXSA-N 449.498 3.087 0 50 IGAA Cc1nc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cs1 14949988 HZPGNZICCMYREP-QHCPKHFHSA-N 448.592 3.468 0 50 IGAA O=C(Cc1cccc2ccccc12)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 14976144 BPNQVRFYHHURGG-UHFFFAOYSA-N 431.540 3.464 0 50 IGAA COc1cccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)c1OC 16731415 GPZLEINQCAVFEP-XNTDXEJSSA-N 444.310 3.145 0 50 IGAA NC(=O)[C@@H]1CCCN1Cc1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl 170617477 YONNBSOGUFNMNA-SFHVURJKSA-N 442.368 3.385 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 239174012 PCOVMCMQBLVGSA-ZHUKKINNSA-N 441.483 3.133 0 50 IGAA O=C(O)COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 245311944 QRDNEVXKPVQSKQ-ZLNRFVROSA-N 444.443 3.201 0 50 IGAA CC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCCc2cccc(Cl)c2)C1 299778724 QAFGYEDQWDAMRL-JTHBVZDNSA-N 436.040 3.458 0 50 IGAA Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 466538419 GWSQOMAFEBKAQG-LEWJYISDSA-N 441.503 3.137 0 50 IGAA CCCCn1c(=O)nc(O)c2c1nc(CN1CCC[C@H]1CC(=O)c1cccs1)n2CC 468285072 CEIBIWMKKCWNJK-HNNXBMFYSA-N 443.573 3.418 0 50 IGAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)C1CCN(C(=O)c2ccncc2)CC1 670472578 DKBNPKWXWHDVLI-UHFFFAOYSA-N 425.920 3.213 0 50 IGAA Cc1c(NC(=O)c2cn(CC[C@H]3CCCCN3)nn2)cccc1C(=O)Nc1nccs1 952977265 UWMBKUNBHHYYFN-OAHLLOKOSA-N 439.545 3.080 0 50 IGAA O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1C(=O)c1cccc(N=c2cncc[nH]2)c1 1875365224 WQYSLSNSGJQIFR-NRFANRHFSA-N 443.507 3.210 0 50 IGAA C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C/C=C/CN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C 2325745663 OZZIYYUTXJWPKF-DGBZRNHGSA-N 448.696 3.477 0 50 IGAA CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1Cl 2325819641 LWGTYVZTXBRXIV-GDBMZVCRSA-N 449.960 3.186 0 50 IGAA O=C(c1cc(Oc2ccccc2)ccc1O)N1C[C@H](O)[C@H](N2CCc3ccccc3C2)C1 2325841442 VHXKLCCABVVJHJ-NOZRDPDXSA-N 430.504 3.428 0 50 IGAA N=c1[nH]c2cc(-c3noc(Cc4ccc(S(=O)(=O)N5CCCCC5)cc4)n3)ccc2o1 2325850015 JJQHDXBXUWJYOO-UHFFFAOYSA-N 439.497 3.056 0 50 IGAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)cc(OC)c1OC 1127556 HTOVSOFDRGSKOP-OAHLLOKOSA-N 442.379 3.128 0 50 IGAA CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 1148866 HLAYWUOYWITBFN-UHFFFAOYSA-N 431.297 3.169 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 9427213 WJNBWXYVEWKFTQ-UHFFFAOYSA-N 444.553 3.235 0 50 IGAA CC1(C)C[C@](CCNC(=O)c2cn(CCN3CCCCC3)nn2)(c2ccccc2)CCO1 12073069 MKVDAXHZWRVIOH-RUZDIDTESA-N 439.604 3.411 0 50 IGAA COCc1c(C(=O)N(C)C[C@@H](O)c2ccccc2)cnn1-c1nccc(-c2cccs2)n1 12148839 PHNSKDGEXCEMTJ-HXUWFJFHSA-N 449.536 3.343 0 50 IGAA Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)c1cc[n+]([O-])cc1 12149398 RVAYIVNZPLJZCK-UHFFFAOYSA-N 442.475 3.395 0 50 IGAA O=C(COc1ccccc1)Nc1cnn(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)c1 12190457 USHNJKHBUDNEGY-UHFFFAOYSA-N 442.519 3.488 0 50 IGAA CCN(CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1COC 12453766 JUZWRNSSEDGDFY-UHFFFAOYSA-N 440.523 3.029 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccsc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 15008597 YHVNSYXWFPVLKW-WMZHIEFXSA-N 446.617 3.175 0 50 IGAA COc1ccc(CCN(C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)cc1OC 15065283 VHECGVJNHGBEOA-UHFFFAOYSA-N 443.500 3.454 0 50 IGAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 15919211 GLYJGWYFCCOXAD-QGZVFWFLSA-N 436.961 3.108 0 50 IGAA COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CCN(Cc1cccc(OC)c1)CC2 19837015 ODQGPHFXUQGVKZ-UHFFFAOYSA-N 448.519 3.281 0 50 IGAA CCCN1CCC(N2C[C@H](NCc3ccc(OC)c(C)c3C)C[C@H]2C(=O)NC(C)C)CC1 23362508 LHWYQKQOIRVPNQ-VWNXMTODSA-N 444.664 3.244 0 50 IGAA Cc1nc(N(C)C)cc(N2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)n1 67623114 MBMTZXDPGDIWBT-UHFFFAOYSA-N 440.935 3.430 0 50 IGAA COc1ccc(/C=C/C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)cc1OC 169779849 KPYWVTGSXIXIKU-YRNVUSSQSA-N 448.523 3.306 0 50 IGAA O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 170636927 APMUCYVWBNBHRP-FCRVUTKVSA-N 436.911 3.433 0 50 IGAA CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239425886 VKSWWKVSUNCTGB-WRYGONFVSA-N 441.911 3.144 0 50 IGAA C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782735143 CGWXCIGLSXMNHY-BDJLRTHQSA-N 434.411 3.329 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1 2861072 SHVKGFJPZXCFID-CQSZACIVSA-N 438.509 3.111 0 50 IGAA CCOC(=O)N1CCC(N2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)CC1 12717384 MLFSLRQGRFCDGU-IBGZPJMESA-N 431.577 3.425 0 50 IGAA O=C1NCCN(Cc2cccc3ccccc23)[C@H]1CC(=O)N1CCC(c2ccncc2)CC1 15076685 CHKLRVNEUXGPSG-VWLOTQADSA-N 442.563 3.332 0 50 IGAA O=C(c1cccs1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 19813123 XQBVMIXADJAGMR-NRFANRHFSA-N 430.570 3.281 0 50 IGAA CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308895 KOVCWDMRZFGONT-HSZRJFAPSA-N 448.519 3.378 0 50 IGAA CC(=O)O[C@@H]1CC[C@]2(C(=O)O)[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@@H]3CC[C@@]2(O)C1 25557011 VRNKAZNHDYUPQK-ZHTIFPMXSA-N 444.524 3.160 0 50 IGAA Cc1cc(C)c([C@H](C(=O)O)N(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1 170610676 PTTXDPSMADLDSI-OAQYLSRUSA-N 430.526 3.333 0 50 IGAA COc1cc(NC(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc(OC)c1 222000296 NHDUWZOWZYZJAG-YCAKBNEPSA-N 444.528 3.049 0 50 IGAA C[C@H]1CN(c2ccc(NC(=O)NC[C@H]([C@@H]3CCOC3)N3CCCC3)cc2F)C[C@@H](C)O1 229828389 JLEGKQUOEOXTNB-WYADAEROSA-N 434.556 3.062 0 50 IGAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCCN21 253389807 KAGCDJKHLXHNNM-OKFYXZINSA-N 435.911 3.388 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@]12C 257349665 QAQQLQSWRWRRJU-BXKJDEAASA-N 448.556 3.471 0 50 IGAA Cc1ccc(C)c([C@H]2CN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@H](C)CO2)c1 461275193 CTDHRLBCNQNMOJ-WZONZLPQSA-N 445.519 3.229 0 50 IGAA Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cnn(-c2ccc(O)nn2)c1C 484194462 NLQSSWXMGVQJAI-UHFFFAOYSA-N 428.452 3.489 0 50 IGAA CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCO1 775842297 IWNLAROPZVHOCH-OAHLLOKOSA-N 442.438 3.481 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccccc2NCC(C)C)cc1OC 1529125104 JPYWLQWNUMOXKL-DHIUTWEWSA-N 428.529 3.346 0 50 IGAA Cc1nc(C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)nn1-c1c(Cl)cccc1Cl 1775988704 BIEDTFGUCXNUGQ-PBHICJAKSA-N 438.359 3.241 0 50 IGAA O=C(CCn1cccn1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857699793 YNNUMKMOJLDMFM-QFIPXVFZSA-N 438.572 3.288 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2I)CC1 2325786988 RUJPOOAUUQENIK-QGZVFWFLSA-N 438.309 3.379 0 50 IGAA O=C(NC[C@H]1CC[C@@H](c2ccccc2)C1)NS(=O)(=O)c1ccn(CC(F)(F)F)n1 2325841368 REZWVQGSLRJERI-DZGCQCFKSA-N 430.452 3.017 0 50 IGAA COC(C)(C)c1nsc(N2CCC[S@](=O)(=NC(=O)Cc3ccc(C)cc3)CC2)n1 2332238597 FCNYYQXTNBFNJS-GDLZYMKVSA-N 436.603 3.175 0 50 IGAA Cc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1 904346 YTLBNSRODPQOQJ-UHFFFAOYSA-N 430.464 3.137 0 50 IGAA COC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 956416 HSSCSBVAJAHWDH-NRFANRHFSA-N 428.444 3.319 0 50 IGAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1 4058269 CULQEFVJYMPVNH-UHFFFAOYSA-N 439.990 3.152 0 50 IGAA NC(=O)c1ccccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 4241938 JHXIDHXZDZFPNT-QFIPXVFZSA-N 430.460 3.320 0 50 IGAA in-vitro COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](c3ccco3)C(F)(F)F)cc2)CC1 12580919 XDFJVVDYGKUEBN-LJQANCHMSA-N 440.418 3.329 0 50 IGAA CNC(=O)[C@@H]1C[C@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1cccc2ccccc12 19741078 WGLUWVPFULYAHQ-UPVQGACJSA-N 431.536 3.105 0 50 IGAA CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCN(C)CC3)sc3c2CCC3)cc1 22939704 BLVFGGCQXVROSF-UHFFFAOYSA-N 442.585 3.074 0 50 IGAA O[C@@H]1CN(Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 23360399 HEJUUFKXOLIKBV-DNQXCXABSA-N 445.554 3.084 0 50 IGAA O=C(c1ccccc1-n1cccn1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55211137 YWSTXSJGBHEZHL-HXUWFJFHSA-N 433.531 3.438 0 50 IGAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 65363907 FSKZEGJGOMZMQT-SFHVURJKSA-N 448.527 3.070 0 50 IGAA COC(=O)c1cc(Cl)c(Br)cc1N1CCC(CN2CCOCC2)CC1 170601992 SOONTOUOROHWBW-UHFFFAOYSA-N 431.758 3.438 0 50 IGAA C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C[C@H]1NC(=O)OC(C)(C)C 225499391 SSDYKAPJHGKOIK-GHTZIAJQSA-N 443.588 3.229 0 50 IGAA Cn1c([C@H]2CCCCN2C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 253404045 HPXLZEMJUJSBGD-PZJWPPBQSA-N 445.523 3.158 0 50 IGAA biogenic COc1ccc2c(c1)nc(CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C)n2C 253419784 SFPABOHXNXGXNU-OXQOHEQNSA-N 430.549 3.480 0 50 IGAA O=C(CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)NCc1ccc(C(=O)O)o1 1704315928 RRKLFWUFOBFYLG-RUZDIDTESA-N 446.507 3.031 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2c(F)cccc2Cl)C1 1857681863 PGTWVEKZMRDJTR-IEGUWTFLSA-N 437.987 3.308 0 50 IGAA CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2nncs2)C1 1875254848 AHISCQBPWGFIFK-OCCSQVGLSA-N 441.513 3.165 0 50 IGAA C[C@@H](C(=O)NCc1ccccn1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1137242 RDWOMJXKWHTMEM-KRWDZBQOSA-N 425.510 3.345 0 50 IGAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)cc2OC)c1 1171913 CHSOXGKIGHADOO-HXUWFJFHSA-N 443.525 3.153 0 50 IGAA Cn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 4056984 AGXBIAZNJSPVBG-UHFFFAOYSA-N 445.441 3.285 0 50 IGAA CC(C)(C)CN1CCC(Oc2cccc(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)c2)CC1 12056913 WZWBSTOVTNVCGO-SFHVURJKSA-N 427.589 3.317 0 50 IGAA Cc1ccn(CC(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)n1 12298039 ORRKNBGDGCUIPA-JOCHJYFZSA-N 428.552 3.250 0 50 IGAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(N[C@@H](C)C(C)(C)O)cnc2n1C 14744625 ODELTYPLAOYCEC-ZDUSSCGKSA-N 440.500 3.192 0 50 IGAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2ccccc12 15231328 IRJACPFDVBMESI-UHFFFAOYSA-N 441.528 3.094 0 50 IGAA O=C(CSc1nnc(C2CC2)n1C[C@H]1CCCO1)Nc1ccc(Br)cn1 17101964 UWIDTKCSGFWEKT-CYBMUJFWSA-N 438.351 3.223 0 50 IGAA COCCn1c(CN2CC[C@@H](c3cccc(Cl)c3)C2)cnc1S(=O)(=O)CC1CC1 19226864 CUNPIBOFSMERHA-GOSISDBHSA-N 437.993 3.356 0 50 IGAA O=C(/C=C/c1ccccn1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19800341 XAZCSHYPKDFAGI-ZOBSEURRSA-N 446.595 3.458 0 50 IGAA CC[C@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1 117880531 JMVCDNFYMJCUDW-INIZCTEOSA-N 432.463 3.095 0 50 IGAA C[C@H](Nc1ccn(Cc2ccccc2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 170591802 NKMKOCDHWNEFNE-SFHVURJKSA-N 426.542 3.125 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)CCOC2 481931975 OLOXJGITTMFYCP-UHFFFAOYSA-N 434.583 3.444 0 50 IGAA CC(C)=CC[C@]1(C(=O)N2CCOCC2)C[C@H]2CC[C@@H]1N2C(=O)Cn1ncc2ccccc21 1704304606 HJMONBYTZGHNLY-KJWPAHLWSA-N 436.556 3.001 0 50 IGAA Cc1ccc(-c2nc3nc(-c4ccccc4)nc(N4CCN(S(C)(=O)=O)CC4)c3o2)cc1 1775976438 MGTSMAQWJYBSAZ-UHFFFAOYSA-N 449.536 3.342 0 50 IGAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 1875252155 VITAYNNASJQZRV-OAHLLOKOSA-N 442.994 3.077 0 50 IGAA Cc1noc(C(C)C)c1C(=O)N=[S@@]1(=O)CCCN(C(=O)c2cnn(CC(C)C)c2)CC1 2332238217 GHBHFENBSFYBGU-WJOKGBTCSA-N 449.577 3.113 0 50 IGAA CO[C@H](CC(C)C)C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@H]2CCc3ccccc3C2)CC1 2332238689 HUNNLLXAZRJFMQ-OSDLZFKDSA-N 448.629 3.468 0 50 IGAA CCCC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OCC)=C(N)O1 706130 BMCFFCDHVSYDJA-HSZRJFAPSA-N 428.485 3.036 0 50 IGAA C[C@@H](C(=O)NCc1ccncc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 793310 JIMPBPRSHQTQIM-KRWDZBQOSA-N 425.510 3.345 0 50 IGAA O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1N=C(C(F)F)C[C@]1(O)C(F)F 8455261 ZASWVYOACYDFNT-INIZCTEOSA-N 449.202 3.115 0 50 IGAA C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10510711 YNOVOYZYLHBTJP-HNNXBMFYSA-N 446.477 3.497 0 50 IGAA CCN(CC)C(=O)[C@H]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 12306058 OSGISYJBMZYFCT-KRWDZBQOSA-N 431.606 3.102 0 50 IGAA C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 12383913 NJJRGSWCMCDAQJ-IBGZPJMESA-N 438.549 3.464 0 50 IGAA Cc1ccc(OCc2cc(C(=O)N3CCN(Cc4cccc(F)c4)C(=O)C3)no2)cc1C 12574769 SZLZRPBPKDEOKR-UHFFFAOYSA-N 437.471 3.494 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CSc3ccncc3)C2)cc1OC 15077819 UNERVTCVAXXSIH-LJQANCHMSA-N 429.586 3.356 0 50 IGAA COc1cccc(N2CCN(Cc3c(C(=O)N4CCCCC4)nc4sccn34)CC2)c1 23310955 MXPYECRDYAVMLD-UHFFFAOYSA-N 439.585 3.353 0 50 IGAA O=C(COc1ccc2cc(Br)ccc2c1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 170634329 TWWTWYGLFYBFBA-AWEZNQCLSA-N 445.235 3.261 0 50 IGAA O=C(CC[C@@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)NC[C@H]1CCCN2CCCC[C@@H]12 252537986 MMQQPBNERVFTQM-HOJAQTOUSA-N 446.979 3.126 0 50 IGAA Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 253389808 KAGCDJKHLXHNNM-TYZOXTDXSA-N 435.911 3.388 0 50 IGAA COc1ccc(OC)c2c1cc(C(=O)Nc1cccc(OCCN3CCOCC3)c1)n2C 409414855 PTRFXLFCZFJCCD-UHFFFAOYSA-N 439.512 3.159 0 50 IGAA CCc1cc(N2CCC(NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)ncn1 480159523 LZAQGMDJNSESGH-UHFFFAOYSA-N 433.560 3.450 0 50 IGAA CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(CC(=O)N(C)C)cc1 799449347 NIWHHCDZFKXGEV-UHFFFAOYSA-N 436.487 3.058 0 50 IGAA CCn1nc(-c2nnc(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2C)c2ccccc2c1=O 809865737 XTUJGKLWNXINFP-IFXJQAMLSA-N 433.343 3.232 0 50 IGAA CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1=O 914440151 WWLXRZDSGLOLDL-UHFFFAOYSA-N 445.441 3.393 0 50 IGAA O=C1NC(=O)C2(CCS(=O)(=NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)N1 1875346950 FIRKSCDXLKNKBK-UHFFFAOYSA-N 437.930 3.049 0 50 IGAA O=C(O)CCCC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccccc2)N1 1902170 UCMBQWRUNNXRKS-GOSISDBHSA-N 437.887 3.339 0 50 IGAA COCCCN1C(=O)c2ccc(C(=O)OCc3cccc(Br)c3)cc2C1=O 1904763 AJHQTTBNDKWMHN-UHFFFAOYSA-N 432.270 3.439 0 50 IGAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(C)c(C)c2)C3)n(C)n1 11791037 IGQWVTIAEKNIGE-UHFFFAOYSA-N 445.567 3.431 0 50 IGAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cc(CC(C)C)on2)C3)nn1 11965815 OHPFNMRTFPQGGU-MRXNPFEDSA-N 426.448 3.211 0 50 IGAA CC(C)CC[C@@]1(C2CCN(C(=O)CC3=CCCCC3)CC2)NC(=O)N(CCN(C)C)C1=O 12036218 GCHHGYMXVNAPLW-VWLOTQADSA-N 446.636 3.404 0 50 IGAA COc1ccc(CCC(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1OC 12038160 PGGKPXORRORECB-GOSISDBHSA-N 437.471 3.352 0 50 IGAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCCCC3CCCC3)cc2)CC1 12092126 GNIRJLFZCKOUQF-QHCPKHFHSA-N 432.605 3.371 0 50 IGAA COc1ccc(NC(=O)CSc2nc(=O)c3c(C)cc(C)nc3n2C2CC2)cc1OC 12446474 JXXLHVLNUCHHNF-UHFFFAOYSA-N 440.525 3.491 0 50 IGAA O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(Cl)c1 100129039 AHLSSTFXVZGVKN-QGZVFWFLSA-N 426.929 3.404 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCSc3ccccc32)cc1 241684894 QGDLKOJZHIQHCV-OALUTQOASA-N 432.567 3.202 0 50 IGAA COc1ccnc(N2CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)n1 461921843 WGCMXUOOZPBQKP-UHFFFAOYSA-N 433.390 3.121 0 50 IGAA CS(=O)(=O)N1CCC(c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)CC1 825527736 IKLWLAHIMXMIAP-UHFFFAOYSA-N 432.358 3.299 0 50 IGAA CCc1nn(C)c(C(=O)N[C@H]2CN(C(=O)CO[C@H]3CCCC[C@H]3CC)C[C@H]2C)c1Cl 2325829463 KPMRBFNSSJPNSF-LMSBXDPUSA-N 439.000 3.198 0 50 IGAA CC[C@H](C)[C@@H](C)C(=O)N1CCC([S@@](C)(=O)=NC(=O)c2ccccc2-n2ccnn2)CC1 2332238999 SYUZVZYSLICLLB-VCJKXJKGSA-N 445.589 3.179 0 50 IGAA COc1cc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc3c(c2)OCO3)c(OC)cc1Cl 808229 AGGNDIXDHOVKQS-IBGZPJMESA-N 445.859 3.353 0 50 IGAA COc1ccc(C(=O)NC(=S)N(CC2CC2)C[C@H]2CCCO2)cc1Br 1051245 VOOCKXOKXBFXOD-CQSZACIVSA-N 427.364 3.363 0 50 IGAA COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1163497 YZJOUGBBLFNIIJ-UHFFFAOYSA-N 427.320 3.025 0 50 IGAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 2851135 ZHMYAFOBXJUDPA-UHFFFAOYSA-N 431.411 3.383 0 50 IGAA O=C(NCCCO)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1Br 2918148 CVCGECNDNICKEY-SFQUDFHCSA-N 437.721 3.372 0 50 IGAA O=C1CC[C@H](C(=O)N2CCc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C2)N1 12054054 INCLQQLFJFQTEX-GOSISDBHSA-N 431.414 3.121 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CN2CCCCC2=O)CC1 12575284 IOAWPXZZJWNYPE-XMMPIXPASA-N 441.616 3.227 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc(C(C)=O)c1C 14162071 YGNROSRRSXHUJM-UHFFFAOYSA-N 429.542 3.197 0 50 IGAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1cc(F)c(F)c(F)c1)CC2 14538149 LZHMRHOTZOIKNJ-CQSZACIVSA-N 432.446 3.350 0 50 IGAA COC[C@H](C)NC(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 14994271 BLOGPOFZTYBIED-ZDUSSCGKSA-N 444.557 3.436 0 50 IGAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1C 16527048 MJQJLBJUJOCKJD-UHFFFAOYSA-N 425.510 3.194 0 50 IGAA CCn1ncc([C@H]2C=C(c3ccc(I)cc3)Nc3ncnn32)c1C 20606571 SALSTOLRWKYNEE-MRXNPFEDSA-N 432.269 3.464 0 50 IGAA Cc1cc(C)n(CCN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)n1 23128794 LZQUROZNHWYHIS-UHFFFAOYSA-N 443.617 3.253 0 50 IGAA CO[C@@]1(C)CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Cl)cc2)CC1 225435939 COTQRASSALSRJL-HKUYNNGSSA-N 449.038 3.158 0 50 IGAA CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NC3CC(c4ccccc4)C3)c2)CC1 480834542 QRDHURPKVUHMDA-UHFFFAOYSA-N 442.585 3.081 0 50 IGAA O=C([C@H]1CCCO1)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952859406 WIINWWPUOVLLKZ-HSZRJFAPSA-N 434.536 3.482 0 50 IGAA CNC(=O)c1ccc(S(=O)(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 1506422325 RPJLKODOVXJXSF-QHCPKHFHSA-N 430.570 3.242 0 50 IGAA O=C(NC[C@H](O)CN1CCCC1=O)c1ccc(SC2CCCC2)c(C(F)(F)F)c1 1875259734 RXINFDJMVWNMFX-AWEZNQCLSA-N 430.492 3.453 0 50 IGAA CC(=O)c1cccc(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)O)cc4)cc3C2=O)c1 1209034 QDWADIBMCCWCEB-UHFFFAOYSA-N 449.440 3.221 0 50 IGAA COc1ccc(CCNC(=O)CSc2nc(N)c3c4c(sc3n2)CCC4)cc1OC 6144510 MXMOYWVJTRKNNF-UHFFFAOYSA-N 444.582 3.230 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCC[C@@]3(CCCN(C)C3)C2)n1CCc1ccccc1 11819256 KWOUPRATHPAWHE-XMMPIXPASA-N 444.645 3.227 0 50 IGAA O=C(Cc1c(F)cccc1Cl)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 11881188 YFSFMZAAYKCYPZ-KRWDZBQOSA-N 445.922 3.387 0 50 IGAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)nc(N)n2)CC1 12026995 LGZSGJIZOZSGTJ-UHFFFAOYSA-N 425.577 3.386 0 50 IGAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 12028585 PYVCGUNSWOTWNU-SFHVURJKSA-N 442.560 3.177 0 50 IGAA CCN(CC)[C@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 12456334 WZNWRQBPMJENMB-IBGZPJMESA-N 443.588 3.031 0 50 IGAA CCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 12863575 PBLJELINTCQAAC-UHFFFAOYSA-N 449.960 3.129 0 50 IGAA Cc1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 13838686 YPOBGXRDBVWDJQ-UHFFFAOYSA-N 447.329 3.209 0 50 IGAA Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(S(=O)(=O)c2ccc(Cl)cc2)n1 13960912 YILWFJBVIQWTFU-UHFFFAOYSA-N 430.921 3.191 0 50 IGAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1CC1=CC[C@H]2C[C@@H]1C2(C)C 14954144 PDZOJLFGYYODQJ-YDWJEQILSA-N 448.567 3.210 0 50 IGAA COC(=O)[C@@H](NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1ccccc1 15072348 KEOZTYWFTGFACT-QHCPKHFHSA-N 445.523 3.202 0 50 IGAA CCOC(=O)c1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)c1C 19640224 AZNWAJKWRZIBMV-UHFFFAOYSA-N 444.435 3.064 0 50 IGAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N32)c(OC)c1OC 22018317 VQFDWMBORORTDE-VQIMIIECSA-N 437.521 3.267 0 50 IGAA COc1cccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1 96299665 AJICKGVVUBXOLC-IBGZPJMESA-N 434.323 3.456 0 50 IGAA Cc1ccc([C@H](O)CNC(=O)c2sccc2S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 230048147 UILXCGLMODIBFH-JFIYKMOQSA-N 436.599 3.472 0 50 IGAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 252511058 DNSYTAUTIOVKHF-XWPNQZOQSA-N 448.485 3.453 0 50 IGAA O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 484921381 VHEKKNKLQZYWMK-NZQKXSOJSA-N 447.535 3.292 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@H](O)[C@H](CO)C3)c12 1469086137 XYJVBETVQQUSNF-GUYCJALGSA-N 435.402 3.032 0 50 IGAA CCc1nccn1CCNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)n[nH]2)sc1C 1506427576 LFUHRMHAPYAYBM-UHFFFAOYSA-N 433.481 3.203 0 50 IGAA COc1cc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)ccc1OCc1ccccc1 632322 VMSUZCIDZOOGNI-FYJGNVAPSA-N 442.500 3.348 0 50 IGAA COCCNC(=O)c1c(NC(=O)c2nc(SC)ncc2Cl)sc2c1CCCC2 2883172 QNELIYOULMBGTM-UHFFFAOYSA-N 440.978 3.421 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccccc1 2987334 JXHGGXXVBCRHRZ-MNJKBJKMSA-N 448.544 3.197 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)c1c(COC)n(CCc2ccccc2Cl)c(C)cc1=O 11784105 YCSKOBCFETYENT-LJQANCHMSA-N 445.991 3.413 0 50 IGAA O=C(c1ccco1)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1 11881973 MONMXMWXUDEGRM-XMMPIXPASA-N 439.487 3.214 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N(C)Cc3nc(-c4ccccc4)no3)CCC(=O)N2)cc1 12278406 ZQPIMFXXXCSQDQ-RUZDIDTESA-N 448.523 3.375 0 50 IGAA Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 13685161 PZMNZDGPGNUFCF-UHFFFAOYSA-N 429.318 3.420 0 50 IGAA Cc1ccccc1[C@]1(CC(=O)N(C)C[C@@H]2CCCCO2)CC(=O)N(Cc2ccncc2)C1=O 14881713 SFACVPRSKNLMHC-LVXARBLLSA-N 449.551 3.005 0 50 IGAA O=C1CCC(CCC(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)=NN1 15070002 UMUAWWUBDSNLRX-LJQANCHMSA-N 446.551 3.368 0 50 IGAA COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1Cl 15836214 RSUYXIYCPGWTAJ-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA O=C(c1nc2ccccn2c1CN1CCN([C@H]2CCc3ccccc3C2)CC1)N1CCCC1 19595135 RJDBSPUPBVHURU-QHCPKHFHSA-N 443.595 3.245 0 50 IGAA CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@@H]1COc2ccccc2O1 20451109 JDJMMIWKKDWWHK-MRXNPFEDSA-N 426.542 3.294 0 50 IGAA COc1ccc(CCN2C[C@H](C(=O)N3CCN(Cc4cccc(C)c4)CC3)CCC2=O)cc1 20997399 SUXVOTSHONSROQ-XMMPIXPASA-N 449.595 3.129 0 50 IGAA O=C(NCc1cccnc1)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1ccccc1 20999776 AMHILAOHXDJYDO-RDPSFJRHSA-N 436.506 3.409 0 50 IGAA COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 28126971 OBSYBRPAKCASQB-JSDJLVNFSA-N 432.469 3.000 0 50 IGAA in-vitro Cc1ccc(N2C(=O)C[C@H](Nc3ccc(N4CCOCC4)cc3)C2=O)c(Br)c1 100865724 KYVPXFKGLCUTHC-SFHVURJKSA-N 444.329 3.338 0 50 IGAA Cc1ccc([C@H]2NC(=O)N(CC(=O)N[C@H](C)CCc3ccccc3)C3=C2C(=O)OC3)cc1 169757956 WERCKQBQWHLQCD-UZUQRXQVSA-N 433.508 3.010 0 50 IGAA COc1ccccc1CC(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777528 NSUPMCDTCZZJEJ-UHFFFAOYSA-N 444.495 3.410 0 50 IGAA O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 211011663 NJLUYNNBNPHMEF-FKBYEOEOSA-N 432.568 3.325 0 50 IGAA COCCN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 230201490 CHQCIYDGSITZBR-YUGWGPBPSA-N 427.926 3.080 0 50 IGAA COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 242723158 YEWKVMBYNZAGPX-NLPWIYRPSA-N 437.584 3.375 0 50 IGAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@H](c2ccccc2)C1 253394221 AJEZDHWBAVVFQI-UXHICEINSA-N 441.915 3.345 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)c2c1 460968659 IVRUUWYGOQCZFF-NRFANRHFSA-N 443.569 3.376 0 50 IGAA CC1(C)C[C@@H]1C(=O)N1CCN(CCNc2ncnc3c(-c4ccccc4)nsc23)CC1 1875326616 QHIJQJSPQVMPOI-QGZVFWFLSA-N 436.585 3.356 0 50 IGAA O=C1O[C@@H](C(=O)NCc2c[nH]nc2-c2cccc(F)c2)Cc2ccc(Br)cc21 2325862433 UABOYIRESKFIQN-QGZVFWFLSA-N 444.260 3.376 0 50 IGAA CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2 956500 GVIRYUNXUXAZSI-GFCCVEGCSA-N 433.482 3.154 0 50 IGAA CS(=O)(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccco1 1077361 FLSSKZAEGHUVFI-IBGZPJMESA-N 445.522 3.191 0 50 IGAA CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@]12C(=O)N1c3c(cc(C)cc32)[C@@H](C)CC1(C)C 9413774 MFQSZDNBKNFRTN-MCFWBGNESA-N 436.512 3.071 0 50 IGAA CC1(C)C[C@@](CCNC(=O)c2cn(CCN3CCCCC3)nn2)(c2ccccc2)CCO1 12073065 MKVDAXHZWRVIOH-VWLOTQADSA-N 439.604 3.411 0 50 IGAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NC1CCN(Cc2ccccc2)CC1 12323552 ZPXVJYGWZUBGIT-UHFFFAOYSA-N 445.567 3.016 0 50 IGAA biogenic COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CN(C)Cc4cccnc4)C3)C2)c1 12448380 XMALHBSQSRDNKY-RUZDIDTESA-N 440.563 3.176 0 50 IGAA COc1ccc(-c2ccnc(SCC(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)n2)cc1 13642552 OLRANQCEZDIROC-QGZVFWFLSA-N 426.420 3.103 0 50 IGAA O=C(c1cn(Cc2cccc(C(F)(F)F)c2)nn1)N1CCN(Cc2cccc(F)c2)CC1 20916896 MTJRMGMUSYVAEU-UHFFFAOYSA-N 447.436 3.442 0 50 IGAA CCN(CC)c1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1 169776319 IKSPNHKPMQMFAH-UHFFFAOYSA-N 431.500 3.433 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 252444458 FVQOJZMQWHKUOU-PMACEKPBSA-N 427.497 3.246 0 50 IGAA O=C(CC[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1 252510236 ZFFJXCZDBKPSHO-ZWKOTPCHSA-N 447.413 3.113 0 50 IGAA COc1cc(CN(C)CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)ccc1OC(F)F 253388045 MZXHFMNJSMABLT-JORQVXCQSA-N 425.476 3.433 0 50 IGAA CCOCCCN1C(=O)CC[C@@H]2CN(C3CCN(CCc4ccccc4)CC3)CC[C@@H]21 299769408 XLDKZOBRHLUBKZ-NOZRDPDXSA-N 427.633 3.433 0 50 IGAA Cc1oncc1S(=O)(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857704909 KQDSNVDOXLZKQS-HXUWFJFHSA-N 433.574 3.244 0 50 IGAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1Cc2cc(Br)ccc2O1 1875343983 ARSFXRNOLFXIOM-WMLDXEAASA-N 437.359 3.385 0 50 IGAA CCn1ncc(Cl)c1C(=O)NC(=S)Nc1ccccc1I 649598 DNKVDODOVRVGDK-UHFFFAOYSA-N 434.690 3.288 0 50 IGAA O=C(NC1CCCCCCC1)c1cn(C[C@@H]2CCCO2)cc(C(=O)N2CCCC2)c1=O 11968663 QGPLIHLIVYFLRS-IBGZPJMESA-N 429.561 3.106 0 50 IGAA O=C(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)N1CCN(c2ccccc2)CC1 12324363 VHTDWZRVTJYKGT-UHFFFAOYSA-N 434.515 3.321 0 50 IGAA CC(C)[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)O 12382007 WKEBIYDSARTDSE-KMPOOHAWSA-N 435.274 3.038 0 50 IGAA COc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 12382074 HDHXNURXXZYJIJ-UHFFFAOYSA-N 425.529 3.407 0 50 IGAA CN(CCOc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12430448 PMQUMQZHMONYTF-DEOSSOPVSA-N 431.536 3.068 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCN2CCCO2)CC1 14964473 RQOOANFUKMPYCO-DEOSSOPVSA-N 429.605 3.242 0 50 IGAA CCN(CC)C[C@H](O)COc1ccc(CNCc2c(OC)cccc2OC)cc1OC 14976258 VCHQTZNEARYUDF-IBGZPJMESA-N 432.561 3.084 0 50 IGAA O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1 95930152 ISOCDPQFIXDIMS-QHCPKHFHSA-N 444.539 3.414 0 50 IGAA in-man O=C(NS(=O)(=O)c1ccccc1Cl)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225527855 NERVTRZHTXHAHE-CABCVRRESA-N 446.878 3.455 0 50 IGAA CC(C)S(=O)(=O)N1CCN(C(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CC1 253414042 WHOATXIVQSUQMN-IBGZPJMESA-N 437.993 3.198 0 50 IGAA COC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 263617996 QUXNLCMWHPPABM-KRWDZBQOSA-N 433.512 3.250 0 50 IGAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CCCC[C@@H]1CCCc1ccccc1 443715401 BWOGGFLVWSZQBX-MRXNPFEDSA-N 428.514 3.002 0 50 IGAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2c1 730446558 QCCPISZJIOOOJM-UHFFFAOYSA-N 446.532 3.225 0 50 IGAA COc1cccc([C@H]2CCN(Cc3cc4c(nc3OC)CN(C(C)C)C4=O)C2)c1OC 952988736 RZISGOQKTCPBNB-INIZCTEOSA-N 425.529 3.461 0 50 IGAA O=C(N1CC[C@@H](n2cnc3ccccc3c2=O)C1)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 1875308989 LNGKAXJCKSJQFH-XXAUWVGASA-N 442.563 3.472 0 50 IGAA COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)cc1OC 1875350578 SIQWGIDFIFARJZ-UHFFFAOYSA-N 431.452 3.073 0 50 IGAA CCC(CNC(=O)[C@@H](C)n1cnc2ccccc21)CNC(=O)[C@@H](C)n1cnc2ccccc21 2325725727 WWZLKYWFHPPHDK-QZTJIDSGSA-N 446.555 3.467 0 50 IGAA O=C(Nc1ccccc1OC(F)F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2802866 BLYXNKKEABFEOV-ZDUSSCGKSA-N 428.432 3.467 0 50 IGAA CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC 4764111 DRTXVFXWMAZLEV-SFTDATJTSA-N 426.513 3.372 0 50 IGAA Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)c1ccsc1)C2 12122877 YNGKPZAAJSCANY-UHFFFAOYSA-N 441.578 3.270 0 50 IGAA CN1C(=O)C[C@@](CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)(c2cccc(F)c2)C1=O 12155523 RKWWBCZDSBVJIZ-XMMPIXPASA-N 442.462 3.051 0 50 IGAA COC(=O)CC[C@@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 12435780 AWRMRIFIKNQBHQ-GOSISDBHSA-N 425.529 3.197 0 50 IGAA CCCCOc1c(Br)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 13915297 IELZIXNLHIORIK-OAHLLOKOSA-N 427.295 3.438 0 50 IGAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)c1=O 14983508 HHYDWMSEQIKREW-QGZVFWFLSA-N 449.555 3.477 0 50 IGAA Cc1nc([C@@H](C)NC(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)cs1 22920428 LRHVXXHTKHZYQF-MRXNPFEDSA-N 425.558 3.248 0 50 IGAA CC(C)N(CCOCCNC(=O)[C@H](C)Oc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1 170607630 BXGDCTBPTQFFJZ-LEWJYISDSA-N 442.556 3.291 0 50 IGAA CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3S[C@H](C)C(N)=O)CC2)cc1 225749225 NKYZGKFZMLDPKR-QGZVFWFLSA-N 439.581 3.374 0 50 IGAA CCSc1nc2n(n1)[C@H](c1cn(C)nc1C)[C@H](C(=O)Nc1ccccc1C)[C@@H](C)N2 226439848 IMXJZUHJSCUXIQ-ZTFGCOKTSA-N 425.562 3.399 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 239403073 RLUOSSBFKIEXRS-YCBBYDHLSA-N 435.705 3.094 0 50 IGAA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 245242315 ZXKOFXIXHHRONF-IPWAHQJTSA-N 444.487 3.181 0 50 IGAA COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(C)cc1 245256145 ODLBDCCZZVJIMA-CWBXHPNXSA-N 430.504 3.100 0 50 IGAA COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1OC 252444268 GVXZFEGRBLJCNN-AOMKIAJQSA-N 429.542 3.413 0 50 IGAA O=C(NCCCO[C@H]1CCCCO1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 253431605 SOHGOIQZKFQRLQ-FQEVSTJZSA-N 436.505 3.290 0 50 IGAA O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H](O)c1ccc(Cl)cc1F 390832920 AGTCKIQXCWJTOE-ROUUACIJSA-N 426.822 3.098 0 50 IGAA CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cc1 1506412974 QFBIXLWCTUKKGJ-WMTXJRDZSA-N 427.566 3.312 0 50 IGAA O=C(Nc1sccc1C(=O)N1CCC(O)(c2cc[nH]n2)CC1)c1ccc(Cl)cc1O 1875325038 GPFMZACHJSUWRN-UHFFFAOYSA-N 446.916 3.206 0 50 IGAA COc1ccc(-n2c(C)nnc2SCC(=O)N(C)Cc2nc(-c3ccccc3)n[nH]2)cc1 1875351308 RMDYXSVCSKDHFE-UHFFFAOYSA-N 449.540 3.120 0 50 IGAA CCCOc1cc2c(cc1CN1C[C@@H]3COCC[C@@]3(C(=O)N3CCCC3)C1)O[C@H](C)C2 1875391937 FUOBPCKZWATHGM-IOZGHAEBSA-N 428.573 3.260 0 50 IGAA COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 2858729 WSVJTWSTNOXHOC-UHFFFAOYSA-N 440.521 3.234 0 50 IGAA CCOCCCNC(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C 12338180 KKCNLMYVBSAPHE-UHFFFAOYSA-N 428.514 3.497 0 50 IGAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1O 12416468 KCGJPQIGKYTZQW-SFHVURJKSA-N 432.860 3.304 0 50 IGAA biogenic,in-vitro COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(OC)c2)CC1 12454498 RCNSVHPUZGSCQU-UHFFFAOYSA-N 428.529 3.123 0 50 IGAA CC(C)[C@@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)O 15971225 FOWRIOVPQVITMR-HXUWFJFHSA-N 431.483 3.491 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2C)CC1 19857255 WITVZJINOAUVGM-IBGZPJMESA-N 432.948 3.422 0 50 IGAA C[C@@H](NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)[nH]c1=O)c1cccs1 22923288 FUCXLICQAMQHOZ-GOSISDBHSA-N 436.581 3.245 0 50 IGAA CC[C@H](C(=O)N[C@@H](O)C(Br)(Br)Br)c1ccccc1 71769937 LZWBNLDBCJFZAX-ONGXEEELSA-N 443.961 3.453 0 50 IGAA Cc1ccc(-n2c(C3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n[nH]c2=O)cc1 169780337 NGTIOGKFCKYZRZ-UHFFFAOYSA-N 426.904 3.307 0 50 IGAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 222467110 KTJKIOWZFACJIX-QORUQQEXSA-N 447.645 3.152 0 50 IGAA O=C(CCc1c[nH]c2ccccc12)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615171 AZPGSVAHFGYTPZ-UHFFFAOYSA-N 428.540 3.371 0 50 IGAA Cc1cccc([C@@H](CC(=O)O[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)NC(N)=O)c1 733436841 JGFNBEVHUQNDFG-MSOLQXFVSA-N 449.429 3.462 0 50 IGAA COCc1cc(Cl)cc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)c1 1324572144 OGVUECKVPFHDIK-UHFFFAOYSA-N 427.925 3.384 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2nc(C)c(C)s2)C1 1857687497 UORXPDNVNYQGEL-ZFGGDYGUSA-N 448.677 3.022 0 50 IGAA CS(=O)(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC2CCCC2)CC1 1857699801 YTRJDQHYUKOQFC-UHFFFAOYSA-N 426.586 3.159 0 50 IGAA CCCC[C@H](C(=O)N[C@H](CO)c1ccc(-c2ccccc2)cc1)N1CCCS1(=O)=O 1875344011 BLZIXGVBAFGAGN-FGZHOGPDSA-N 430.570 3.098 0 50 IGAA O=S(=O)(Cc1ccccc1CN=c1[nH]ccn2nc(C3CCC3)cc12)N1CCCCC1 1875353341 PKJHEAQKDMZBDD-UHFFFAOYSA-N 439.585 3.347 0 50 IGAA CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)nc1C 2746446 NWLJGHJTQPOBJM-UHFFFAOYSA-N 442.526 3.189 0 50 IGAA CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(C2CCN(C)CC2)CC1=O 14536946 RMGAZTVNZADKNT-FQEVSTJZSA-N 443.510 3.117 0 50 IGAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 15017738 OMFRNPLQGSTABP-ISKFKSNPSA-N 427.508 3.065 0 50 IGAA COc1cccc(CN(C)Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)c1 55282948 JUEQBKIWAJFPDM-IYBDPMFKSA-N 428.558 3.286 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1F 169775787 LPYCSFOYLIQKQE-UHFFFAOYSA-N 434.471 3.358 0 50 IGAA O=C(CN(CC(=O)N1CCc2ccccc21)Cc1cccnc1)N1CCc2ccccc21 241911250 UAXGWIUQMYXMCO-UHFFFAOYSA-N 426.520 3.062 0 50 IGAA O=C(O)[C@]1(Cl)[C@@]2(Cl)C(Cl)=C[C@@]3(Cl)[C@@](Cl)(C(=O)O)[C@@]2(Cl)[C@@]13Cl 254521155 FSRRBXBOENDYJV-ODCFRURGSA-N 435.301 3.185 0 50 IGAA CCn1nc(-c2nnc(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2C)c2ccccc2c1=O 809865738 XTUJGKLWNXINFP-KUHUBIRLSA-N 433.343 3.232 0 50 IGAA N=c1nc(N2CCN(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)CC2)s[nH]1 1875262933 ARHPMPCXEHTRTD-UHFFFAOYSA-N 435.966 3.005 0 50 IGAA Cc1ccc([C@@H]2OCCC[C@H]2NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 1875332950 RXXXHXXXYCRDAR-MJGOQNOKSA-N 443.974 3.251 0 50 IGAA CCn1nc(C2CCOCC2)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100548344 YASKPFLNNALWPU-RTWAWAEBSA-N 426.517 3.004 0 50 IGAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2cnc3c(c2)CCCC3)CCCN1 2356162955 VMOFLGYLQQSLGB-DEOSSOPVSA-N 434.584 3.424 0 50 IGAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 676839 MPNJLXAEHWWCDG-KRWDZBQOSA-N 432.542 3.239 0 50 IGAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 3947376 WDYMRROIHLLKHH-UHFFFAOYSA-N 431.470 3.362 0 50 IGAA CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCOc4cccnc4)C3)nc(C)c2c1 12034243 AXMBLVBZSMPAJQ-SFHVURJKSA-N 435.528 3.144 0 50 IGAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)CCc2ccccn2)CC1=O 14732190 BDKSBYBKVFDJJH-JOCHJYFZSA-N 427.520 3.066 0 50 IGAA COC(=O)CN(C)C(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 14998456 XECNYNGLDABGKY-UHFFFAOYSA-N 437.525 3.381 0 50 IGAA CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1 20599604 BAOOUOPTZPARFQ-SFHVURJKSA-N 449.555 3.235 0 50 IGAA O=C(O)COc1ccc(CCNC(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1 170592070 NEUWPVNODAYTDO-UHFFFAOYSA-N 444.285 3.071 0 50 IGAA O=C(CC[C@@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)NC[C@H]1CCCN2CCCC[C@H]12 252537990 MMQQPBNERVFTQM-YZGWKJHDSA-N 446.979 3.126 0 50 IGAA CCCON1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3[C@@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 254823733 YFBALXAIKASPIP-XUJOQLRTSA-N 427.111 3.004 0 50 IGAA Cc1ccc2nc(CN3CCN(C(=O)c4ccco4)CC3)nc(N3CCSCC3)c2c1 299757069 LXPNCKWANDHCEY-UHFFFAOYSA-N 437.569 3.042 0 50 IGAA O=C(N[C@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1)c1ccccc1 486185715 LRWYCFPKNQZOIH-IRLDBZIGSA-N 434.467 3.357 0 50 IGAA O=C1N[C@H](CCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(=O)Nc2ccccc21 886025397 MKYGKDPLQPNMMI-JOCHJYFZSA-N 428.492 3.315 0 50 IGAA COc1cccc(CN(C)Cc2ccc3nsnc3c2)c1OCCN1CCOCC1 952985843 AYJXHVQFYAFJPU-UHFFFAOYSA-N 428.558 3.043 0 50 IGAA COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 880286 XFFJOHLHQIRZMK-UHFFFAOYSA-N 440.477 3.258 0 50 IGAA CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(I)c1OCC 981538 BCSIVSPJXFEQQU-WQLSENKSSA-N 446.310 3.118 0 50 IGAA CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 1156259 SCQBBCMUYPCCCW-UHFFFAOYSA-N 429.380 3.108 0 50 IGAA CCn1ncc(NC(=O)c2cc(Br)cs2)c1C(=O)Nc1cnn(C)c1C 2730628 VVYTYGYYHFZTAV-UHFFFAOYSA-N 437.323 3.274 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N[C@H]4CCOC4)c(C)c23)c1OC 12124279 PDAROKKTXQOPAK-AWEZNQCLSA-N 428.514 3.148 0 50 IGAA CCOC(=O)C[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2cc(OC)ccc2F)CCC(=O)N1 12450969 FJCIJUZLNXIIBC-MHECFPHRSA-N 448.535 3.140 0 50 IGAA CC(C)C[C@@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O 13917963 NTCCRGGIJNDEAB-SJORKVTESA-N 428.316 3.323 0 50 IGAA COc1ccc2c(c1)C[C@H](N1CCC3(CC1)C(=O)N(Cc1ccccc1)C(=O)N3C)CC2 14541812 KLYNUZSXGSNJQG-JOCHJYFZSA-N 433.552 3.481 0 50 IGAA C[C@H]1CN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C3CCCC3)C2=O)C[C@@H](C)O1 14879510 VEBBSYIRMWLFLL-VBURHUQHSA-N 432.948 3.305 0 50 IGAA Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCCN4CCOCC4)c3n2)cc1 19773752 CXHQBVGVCQICRA-UHFFFAOYSA-N 447.461 3.176 0 50 IGAA O=c1c(CNCc2cnn(-c3ccccc3)n2)cc2ccc(F)cc2n1C[C@H]1CCCO1 20271867 SDVMOAKECGTEJX-JOCHJYFZSA-N 433.487 3.190 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)c(OC)c1 169775809 KCGMDVOZHARROR-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA O=C(CN1CCC[C@@H]2CCCC[C@H]21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 230047918 MORRDDJIMPSTDR-SIKLNZKXSA-N 446.551 3.168 0 50 IGAA CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 427579532 USIKPKWOGUSNEX-OAQYLSRUSA-N 431.602 3.332 0 50 IGAA Cc1c(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)sc2nc3n(c(=O)c12)CCCCC3 473421970 SOAKOVQTFOHFLZ-ZDUSSCGKSA-N 427.530 3.362 0 50 IGAA O=C(CN1C(=O)c2cc(F)ccc2S1(=O)=O)c1ccc(OCc2ccccc2)cc1 799910048 TZOQDNRVXFYMDA-UHFFFAOYSA-N 425.437 3.432 0 50 IGAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)c12 888088486 BSEVFPJBGSQGED-LQBOVUBWSA-N 443.551 3.417 0 50 IGAA COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc(OC)c1OC 783952 FHZPMYYMGDAUCX-UHFFFAOYSA-N 440.496 3.406 0 50 IGAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 2871134 ZAPRMRSCMSIHFZ-KRWDZBQOSA-N 431.558 3.174 0 50 IGAA CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)cc2Cl)CC1 2886690 GYFSMMDPKGCQDE-UHFFFAOYSA-N 430.961 3.444 0 50 IGAA COc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)O)c1 3798720 FFYNAVGJSYHHFO-NRFANRHFSA-N 429.513 3.197 0 50 IGAA world COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)CC1 9266213 VLWKYIYRJLBNOJ-UHFFFAOYSA-N 425.504 3.035 0 50 IGAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1I 12406018 HDHFQLIZLOYEDQ-UHFFFAOYSA-N 436.249 3.016 0 50 IGAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c(OC)n1 12429566 LVXOOVDHQLXNQT-INIZCTEOSA-N 429.492 3.187 0 50 IGAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@@H]1CC(=O)N1CCCN(C2CCCC2)CC1 12703666 NTJMQJCAFFHJPE-RUZDIDTESA-N 448.611 3.007 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC)n1 20214757 XWRWXURKFLOTIS-UHFFFAOYSA-N 449.533 3.397 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100552479 VCCWHHGUULHSED-FHQLIMNDSA-N 431.444 3.046 0 50 IGAA O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cccc(C(=O)N2CCCC2)n1 225709844 ZORNVUZDZUVLEB-OAHLLOKOSA-N 430.302 3.334 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]3CC[C@]2(OC(C)=O)C(=O)COC(C)=O)C1 253503632 XGYKXXRAKKQWDL-DBFOSNMMSA-N 446.540 3.392 0 50 IGAA O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 484921384 VHEKKNKLQZYWMK-REWPJTCUSA-N 447.535 3.292 0 50 IGAA CS(=O)(=O)c1ccc(C2(C(=O)NCc3ccc4nc(O)[nH]c4c3)CCCCC2)cc1 670444338 ZDGBPXDOUXDCRU-UHFFFAOYSA-N 427.526 3.190 0 50 IGAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(-c4ccno4)cs3)CC2)cc1 670469746 MURDZGFHWSMBKC-UHFFFAOYSA-N 431.539 3.295 0 50 IGAA COC(=O)c1c(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)sc2c1CCCC2 650000 MYFIKRXWVFSTKW-UHFFFAOYSA-N 426.951 3.236 0 50 IGAA O=C(O)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 1160153 LFCLNPCWTFMDID-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA Cc1cc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2129690 FGGMXERUOZRFGO-IBGZPJMESA-N 435.476 3.171 0 50 IGAA biogenic CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1OCC 8812704 PVWPGOSVNAUUSZ-HXUWFJFHSA-N 440.540 3.200 0 50 IGAA CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(Br)cc1 10537275 ZVRGWRPKFBOYTI-UHFFFAOYSA-N 441.391 3.155 0 50 IGAA COc1ccc(CN(C)Cc2ccncn2)cc1OC[C@H](O)CN1CCCCCCC1 11661661 BAYOUETZQDDBFO-JOCHJYFZSA-N 428.577 3.123 0 50 IGAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1CC1(N2CCOCC2)CCCCC1 12207796 YYICTLOMJXGFGN-JOCHJYFZSA-N 447.595 3.210 0 50 IGAA CCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 12596285 YSFOKUFZHKFDQY-QGZVFWFLSA-N 440.462 3.246 0 50 IGAA COc1ccccc1/C=C/CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 14959888 CUVHIPXKBHNWAN-YRNVUSSQSA-N 437.588 3.097 0 50 IGAA CCCc1cc(CN(C)C(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)n[nH]1 15070954 WZXZIRSMCIWJEO-UHFFFAOYSA-N 428.533 3.033 0 50 IGAA CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CN2CCCCC2)cc1 30947474 GVGNZUGAUWFHCX-UHFFFAOYSA-N 427.570 3.126 0 50 IGAA O=C1C[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccc(F)cc1 32094483 CFXOKBVREGICGS-KRWDZBQOSA-N 430.907 3.338 0 50 IGAA O=C(c1cnn(-c2ccccc2F)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 109622886 AWOLBKDKUGTTTI-UHFFFAOYSA-N 430.842 3.402 0 50 IGAA O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 225491684 FOARHIFTTHPSGT-XMMPIXPASA-N 449.576 3.051 0 50 IGAA O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cncc(F)c2)CC1 225502219 USEHZZRQJFLIHQ-HSZRJFAPSA-N 432.499 3.036 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 239164844 NAHDYRZAJDPAAA-OIXHTRDQSA-N 449.732 3.484 0 50 IGAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 248341611 WPXPQJKMACCQPD-RAZUEPIFSA-N 435.911 3.388 0 50 IGAA Cc1ccc2nc(SCCC(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)cc(C)c2c1 1704298807 KKIJXTVNICLIBQ-REWPJTCUSA-N 444.597 3.227 0 50 IGAA C[C@@H](c1cccc(Cl)c1)S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325820087 ZVONBVYEXZETDA-VKJFTORMSA-N 434.945 3.457 0 50 IGAA Cc1nc2ccc(Br)cn2c1C(=O)N(CC(=O)O)Cc1ccc(F)c(F)c1 2325876831 CBDOEOUKCFUQFW-UHFFFAOYSA-N 438.228 3.410 0 50 IGAA COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 855089 MBPFNFLKBMFUNL-LJQANCHMSA-N 425.528 3.157 0 50 IGAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)Nc1ccc(C)cc1 1122715 SBSXHSWUGQATCU-NRFANRHFSA-N 439.537 3.368 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1Cl 2860756 IOENGSVBZUYPAM-UHFFFAOYSA-N 436.961 3.108 0 50 IGAA CC(C)(NC(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)c1cccc2ccccc12 11952733 VOJQYWLSDOJSPV-FQEVSTJZSA-N 435.568 3.442 0 50 IGAA CN(Cc1nccn1C)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12297139 WMYYGIGTVYGUIE-UHFFFAOYSA-N 430.556 3.241 0 50 IGAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C1 12299745 AQWCZOHADNKYSY-ZDUSSCGKSA-N 430.411 3.000 0 50 IGAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccsc1)CC2 14733126 RQYCMWDXHZYVRU-UHFFFAOYSA-N 439.581 3.161 0 50 IGAA CCOc1cc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)ccc1OC 22852390 ADBXCTMDZWBYHF-OAQYLSRUSA-N 444.572 3.180 0 50 IGAA C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(O)C(=O)CO 36371050 OKWSMPYQIYKVDC-GFNZWVRUSA-N 427.368 3.412 0 50 IGAA COc1ccc(CN2C=C(C(=O)OCc3ccc(Cl)cc3)C(C)=NS2(=O)=O)cc1 169755170 BPUWPLKPQSQNHN-UHFFFAOYSA-N 434.901 3.497 0 50 IGAA O=C(c1nc2ccc(Cl)cn2c1CN1CCN2CCC[C@H]2C1)N1CCc2ccccc2C1 247868486 PRURBYAPDBUODO-NRFANRHFSA-N 449.986 3.466 0 50 IGAA CCOc1ccc([C@H]2NC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C3=C2C(=O)OC3)cc1 263619040 WPRLVWFOTSAPBX-HSZRJFAPSA-N 447.491 3.290 0 50 IGAA CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1 952983391 PWTRBKAJOVSYOD-IBGZPJMESA-N 442.560 3.278 0 50 IGAA CCO[C@@H](C(=O)N1CCCC[C@H](Cn2cc(-c3cc(C)ccc3C(=O)O)nn2)C1)C1CC1 1875356792 XIFHBIYYSVSMJU-HTAPYJJXSA-N 440.544 3.396 0 50 IGAA CCc1cccc(CC)c1NC(=O)[C@@H](C)n1cc(CN2CCCC3(CC3)S2(=O)=O)nn1 2325850793 ICYKNIYREMKETJ-MRXNPFEDSA-N 445.589 3.061 0 50 IGAA COc1ccccc1[C@]1(CC(=O)N2CCC(Cc3ccccc3)CC2)CC(=O)N(C)C1=O 12040417 YCJAUCGOZNIMDH-AREMUKBSSA-N 434.536 3.193 0 50 IGAA CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1F 13495493 WWPNUPZQMRTWRQ-UHFFFAOYSA-N 429.473 3.350 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1Cl 23251641 PHSOKMVWPBZMLU-MRXNPFEDSA-N 432.952 3.021 0 50 IGAA COc1ccc(CNC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c(OC)c1 169780179 SOZIEDZZVYVONW-UHFFFAOYSA-N 438.450 3.354 0 50 IGAA CN1C[C@H](C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c2ccccc2C1=O 425926860 WQKVUVQPIVJGIU-JXFKEZNVSA-N 434.471 3.451 0 50 IGAA NS(=O)(=O)c1ccc(CNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)s1 437140830 HXOLWKPYKOEJSV-UHFFFAOYSA-N 431.470 3.273 0 50 IGAA CCOC(=O)C1CCN(C(=O)COc2ccc(Br)cc2Br)CC1 842371 SGBOCXAFDANXPI-UHFFFAOYSA-N 449.139 3.392 0 50 IGAA COc1ccc(C)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 1174585 AVFWVTCZMILQAQ-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA CCOC(=O)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)C(=O)OCC)c2ccccc21 2266598 XMQNTLAVAJKJAH-UZLBHIALSA-N 438.480 3.012 0 50 IGAA CCn1c(SCC(N)=O)nnc1-c1cc(Br)c(Br)s1 2777040 TTXTXACSFDSJJR-UHFFFAOYSA-N 426.159 3.129 0 50 IGAA CCOc1ccc(CCNC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1OCC 5005918 MFZGQEKUQCUYBA-UHFFFAOYSA-N 426.513 3.059 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NCc3cccc(OC)c3OC)CCC(=O)N2)cc1 11908823 KHBHJVAHUGKDQL-DEOSSOPVSA-N 426.513 3.000 0 50 IGAA CN(Cc1nccn1C)[C@@H]1CCc2c(sc3ncn(CCc4ccccc4)c(=O)c23)C1 11911861 HRMNWGVTJNYOHX-GOSISDBHSA-N 433.581 3.424 0 50 IGAA O=C(/C=C/c1c[nH]cn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 11935872 RQGPVUASTCRZHM-LAUDKDLHSA-N 434.584 3.310 0 50 IGAA O=C1N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 12377332 FRDSMIIZESQQME-GOTSBHOMSA-N 437.515 3.463 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 14534817 CWDWXNKUGNGJRW-UHFFFAOYSA-N 443.507 3.112 0 50 IGAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 16490323 BQBNDPRMHFDRKK-UHFFFAOYSA-N 427.464 3.289 0 50 IGAA CC(C)c1nc2cc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)ccc2o1 116204634 GILACEGLWDGVLY-UHFFFAOYSA-N 427.526 3.434 0 50 IGAA O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 225408558 KJLKZUONPNCEJU-FAPUVCABSA-N 448.445 3.074 0 50 IGAA CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)CN1CSCC1=O)C1CC1 225430911 ICAQKYBLOVZKJD-KRWDZBQOSA-N 431.341 3.122 0 50 IGAA CS(=O)(=O)CC[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1C(=O)c2ccccc2C1=O 225525640 BJCKPOIGAMDWSX-INIZCTEOSA-N 445.884 3.162 0 50 IGAA Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 239105256 IDCGOHWPCVBUIU-AKYCYHOGSA-N 447.531 3.333 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 257371823 RPSDHZIBTGYTAW-QHGDMDKLSA-N 446.503 3.054 0 50 IGAA Cc1cc(NC(=O)CN2CCC(OC[C@H]3CCCCO3)CC2)n(-c2ccccc2F)n1 426793610 OFQIGPQETCPJBN-LJQANCHMSA-N 430.524 3.308 0 50 IGAA Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)c3cc4c(F)ccc(F)c4[nH]3)CC2)c1 2325746662 JESSBCVXPZGGJU-UHFFFAOYSA-N 427.451 3.426 0 50 IGAA O=C(N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)CCCC3CC3)C2)C1)c1nc2ccccn2c1F 2332238207 FWDRRVUWBUCZBM-IRXDYDNUSA-N 446.548 3.140 0 50 IGAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CCC(=O)N(Cc4ccccn4)C3)c2)n1 12448043 DPKWALFCYUOKSU-NRFANRHFSA-N 431.540 3.281 0 50 IGAA COc1ccc(CNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 12854213 WIYHXQQFNBSPLR-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13617466 UBNNWHDVXJNJDC-GOTSBHOMSA-N 445.563 3.095 0 50 IGAA COc1ccc(-c2cc(C(=O)NCc3ccccc3)cc(-n3cnnn3)c2)c(OC)c1OC 14991286 ZSTLCOXWFVPNFL-UHFFFAOYSA-N 445.479 3.285 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=N1 16699990 DSADTPFTCSHYBO-OXRZLYTFSA-N 442.537 3.387 0 50 IGAA Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 40267190 FPIUTHHUXLTCCT-CQSZACIVSA-N 427.390 3.420 0 50 IGAA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(N4C(=O)[C@@H]5[C@@H]6C[C@H](C=C6C)[C@H]5C4=O)c3)C(=O)[C@@H]12 104133528 JKROXVDDUXEPSC-DGORIOMPSA-N 428.488 3.090 0 50 IGAA COc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(Br)c4)n3n2)cc1 169778566 RIPHCHJKZQYQAY-UHFFFAOYSA-N 438.285 3.492 0 50 IGAA Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CCC(=O)c4cccnc4)CC3)n2)cc1 170595763 ZQQNLJROLXNLFY-SFHVURJKSA-N 433.512 3.308 0 50 IGAA CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(OC)cc1OC 225517855 CJHABMNVOMOCCJ-LJQANCHMSA-N 431.514 3.163 0 50 IGAA CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 225743313 HHMMLGATHJCXOW-UXLLHSPISA-N 434.533 3.332 0 50 IGAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@H]1c1ccc3c(c1)OCCCO3)C2=O 239402696 RBEQWSNQINJYAJ-SDWUMEBZSA-N 441.528 3.012 0 50 IGAA Cn1c(CCNC(=O)c2ccc(-c3ccccc3)nc2N2CCOCC2)nc2ccccc21 299760379 GDBMUQLJJVENSZ-UHFFFAOYSA-N 441.535 3.444 0 50 IGAA O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446084294 UBRHLRKENBLFQM-IZVJSRMBSA-N 441.531 3.151 0 50 IGAA O=C1C[C@H](C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c2ccc(F)cc2N1 446639801 UKASZOBZRHKIJU-AEFFLSMTSA-N 435.455 3.419 0 50 IGAA Cc1ccc(-c2cc(NC(=O)CN3CCn4cnnc4[C@@H]3C)n(-c3ccccc3)n2)cc1 484738274 FASHIWGXFFLIMP-SFHVURJKSA-N 427.512 3.455 0 50 IGAA CN1C(=O)C[C@H](C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c2ccccc21 1339503209 WPQQAYCNYGHXHK-SFHVURJKSA-N 433.533 3.336 0 50 IGAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cccc(-n3nc(C)cc3C)c1)CC2 1529190919 PKFSSSSGJYEGOG-UHFFFAOYSA-N 445.571 3.115 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@]4(CCc5cnc(N)nc54)C3)s2)cs1 1704325891 WDVQHJLXWGHSKV-LJQANCHMSA-N 447.611 3.221 0 50 IGAA CCCCC(=O)N[C@](Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F 2050543 OQKARIMHVKBIOW-SFHVURJKSA-N 449.495 3.266 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 13603264 YJXCNIJXRYNMRH-POICLYKASA-N 446.528 3.082 0 50 IGAA CCN(Cc1c(C)nn(CC)c1C)C(=O)c1cnn2c(-c3cnn(CC)c3C)ccnc12 13644730 OYMCZKXSZDUILF-UHFFFAOYSA-N 434.548 3.417 0 50 IGAA Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)CCOc3ccccc3)cn2)cc1 15002017 ZVSKMVAWWBSNOY-UHFFFAOYSA-N 436.512 3.137 0 50 IGAA COCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 19146432 VOCMDSPMPBLVMP-FQEVSTJZSA-N 426.561 3.162 0 50 IGAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)C(=O)[C@@H]1C=CC=CC1 239030881 CNFNVPVYNITYEO-RLITWXEASA-N 443.499 3.491 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC[C@@]2(OC(C)=O)C(=O)COC(C)=O)C1 253503635 XGYKXXRAKKQWDL-NCIAELJCSA-N 446.540 3.392 0 50 IGAA COc1ccc(CCN2C[C@@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)cc1OC 390826615 NVTKKEONNBLYQC-SFTDATJTSA-N 437.540 3.244 0 50 IGAA biogenic CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2CC1)c1nnc2n1CCCCC2 489462908 YVMZEOGQJWZCRU-SFHVURJKSA-N 427.549 3.283 0 50 IGAA COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 788355875 SQUUZORPUHKIAU-TZMCWYRMSA-N 447.406 3.470 0 50 IGAA COc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)CC2=O)cc1 824671546 UKQIQKNLRUPFIY-OAQYLSRUSA-N 449.551 3.043 0 50 IGAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N(Cc1ccncc1)C[C@H]1CCCO1 1857687905 KZXJYUMMEUPUEU-LJQANCHMSA-N 427.570 3.116 0 50 IGAA CNC(=O)[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(F)c(F)c1 1875254693 MDMROKBZMQUZFE-AUUYWEPGSA-N 444.507 3.394 0 50 IGAA Cc1cc(C)c([C@H](CO)NCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 2325828187 AFNNLGGYORQFRA-QFIPXVFZSA-N 447.982 3.372 0 50 IGAA COC(=O)c1[nH]c2ccc(I)cc2c1I 3884521 DSDHHKFKQJKTNJ-UHFFFAOYSA-N 426.979 3.164 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 4918860 IMIYYZWNILVWSC-SJLPKXTDSA-N 429.590 3.323 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@@H](C)C2)c1 11566450 VVFNYBXMVWVGLF-IBGZPJMESA-N 436.599 3.004 0 50 IGAA CCN(CC)C[C@@H](O)COc1cc(CN(C)Cc2c(C)nc3ccccn23)ccc1OC 12306100 ILPZJEAQQOSOIM-OAQYLSRUSA-N 440.588 3.365 0 50 IGAA COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2nccs2)ccc1OC(C)=O 12380023 SWOKBZZOTRCTBN-ATVHPVEESA-N 437.477 3.487 0 50 IGAA CCOC(=O)C1=C(CNCCc2ccc(OC)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C 12412513 FPXVTPBQHIQXSO-QHCPKHFHSA-N 437.540 3.315 0 50 IGAA CN1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cc(-c3ccccc3)c2)CC1 14744749 XSYSNRBKBJIBEX-UHFFFAOYSA-N 441.597 3.306 0 50 IGAA CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 14984363 LIVJZXGWNHYUCS-IBGZPJMESA-N 439.604 3.139 0 50 IGAA CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 16527076 HKLDHXHCYBEDSL-UHFFFAOYSA-N 427.448 3.039 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)C4(c5ccccc5)CC4)ccn3n2)c1 169777080 OVRWUMPMBBHSHF-UHFFFAOYSA-N 428.492 3.020 0 50 IGAA O=C(NCc1ccc2c(c1)OCO2)c1nnn(Cc2ccccc2F)c1-c1ccncc1 206643765 JEZWKFBFFIEGPG-UHFFFAOYSA-N 431.427 3.186 0 50 IGAA COC[C@@]1(CNC(=O)c2cccc(-c3nnc(C)o3)c2)CCCN1C(=O)OC(C)(C)C 253418490 RKVJIFLLEYBQRJ-QFIPXVFZSA-N 430.505 3.191 0 50 IGAA O=C(Cc1ccc(I)cc1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 328591530 VYOIHUMBYSIMOI-SJORKVTESA-N 425.241 3.307 0 50 IGAA COCC1(CC(=O)N2CCC[S@@](=O)(=NC(=O)Cc3coc4cc(C)ccc34)CC2)CC1 2332238251 JAZSKRIXZAYNOQ-HKBQPEDESA-N 446.569 3.327 0 50 IGAA CC(C)[C@@H](C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1)N1CCCCC1 2332238369 OTLUTDGPTDRBRE-OSPQFJOKSA-N 449.661 3.016 0 50 IGAA CCc1cc(N2CCC([S@@](C)(=O)=NC(=O)c3ccc4c(c3)OCC4)CC2)nc(C)n1 2332238666 HFFHODRBHYKEGC-SSEXGKCCSA-N 428.558 3.189 0 50 IGAA COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc12 846669 DRHRJUBNVQSHPP-UHFFFAOYSA-N 426.494 3.122 0 50 IGAA COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1 866123 VASPSJMCMOPMGN-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA O[C@@H](COc1ccc(-c2ccc(OC[C@H](O)CN3CCCC3)cc2)cc1)CN1CCCC1 895808 VZXZHBUESVWXPP-DNQXCXABSA-N 440.584 3.025 0 50 IGAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 11789343 FFBOGTCDFQOCQJ-UHFFFAOYSA-N 428.492 3.387 0 50 IGAA CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccc(OC)c2)c1=O 14967552 KACGUSOSKPMXJS-UHFFFAOYSA-N 425.529 3.384 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCCC[C@H]2C)c1 14995651 AMSSSMWLVMYROW-GOSISDBHSA-N 431.577 3.352 0 50 IGAA Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 20779043 DVSQWQKULQAMSA-PMACEKPBSA-N 430.618 3.272 0 50 IGAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cnc(N(C)C)s3)CC2)[C@H]1OC 55326531 ADYQTLQULUNEHC-RTWAWAEBSA-N 428.602 3.339 0 50 IGAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CN2C(=O)c3ccccc3C2=O)C1 143699219 LITNIKUYVXZSRX-OAHLLOKOSA-N 445.516 3.139 0 50 IGAA CC(C)(Oc1cccc(-c2nc(=O)o[nH]2)c1)C(=O)N1CCC(CCP(C)(C)=O)CC1 2325850227 QFSCVQVHJIPKKO-UHFFFAOYSA-N 435.461 3.439 0 50 IGAA CCOC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl 2952152 CLGXXRGEPKVELF-NSHDSACASA-N 427.741 3.374 0 50 IGAA CCCOc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC 8444014 HNKQHOBAHHRRBG-HNNXBMFYSA-N 427.295 3.438 0 50 IGAA Cc1nc(N2CCOCC2)c2c(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)oc2n1 8596858 REAYZWBYMBJARU-UHFFFAOYSA-N 449.555 3.255 0 50 IGAA Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 9426695 DDFCFUGQMDPRSC-UHFFFAOYSA-N 426.460 3.136 0 50 IGAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nn2)n1 11697299 GKLNLHRLTOAIBJ-UHFFFAOYSA-N 444.948 3.088 0 50 IGAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccc(=O)oc2)O3)c1 11983333 IFCXDOORDJLTLU-SFHVURJKSA-N 439.851 3.480 0 50 IGAA O=c1c(CN[C@@H]2CCS(=O)(=O)C2)cc2ccc(Cl)cc2n1CCc1ccccc1 11999681 KMLUCFAAGUKLSX-HXUWFJFHSA-N 430.957 3.174 0 50 IGAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(Cc1ccc3nsnc3c1)CC2 20513735 SUCLSGFCAUAFSM-UHFFFAOYSA-N 434.525 3.066 0 50 IGAA O=C(c1cccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c1)N1CCOCC1 209806937 DINZVTBPWGAKFB-RPWUZVMVSA-N 434.536 3.333 0 50 IGAA CC(C)[C@@H](NC(=O)CN1CCC[C@@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2 230128093 RSQXAORWXFWUKL-UQBPGWFLSA-N 440.588 3.349 0 50 IGAA O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccc(F)cc2)CC1 263617791 PPVPCGXXNHAXDJ-HXUWFJFHSA-N 441.894 3.305 0 50 IGAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752774738 QLRBIBQHKBFJRI-OAQYLSRUSA-N 433.439 3.341 0 50 IGAA Cc1cc(Br)cc2c1CN(C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)CC2 777725913 KPSUOEBKDRCBAY-FQEVSTJZSA-N 438.387 3.427 0 50 IGAA CN1CCC[C@@H](c2nnc3sc(-c4ccccc4I)nn23)C1 823771469 OXICQRIDZDSKJX-SNVBAGLBSA-N 425.299 3.267 0 50 IGAA CCN1CCN(Cc2cc(C)cc(CN3CCO[C@H](CO)[C@H]3c3ccccc3)c2C)CC1 1704350466 KAUNGDLSPRZGPD-KAYWLYCHSA-N 437.628 3.375 0 50 IGAA C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cnc(-c3cnccn3)s2)C1 1875256904 SMZMNTXHIQPFCS-HOTGVXAUSA-N 429.546 3.463 0 50 IGAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2ccnc(N)c12 1875321673 QXJDSSXOHKNCFA-UHFFFAOYSA-N 440.467 3.011 0 50 IGAA CCOC(=O)NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2OC)ccc1Cl 638496 VRGIXBTZIUELRT-LBPRGKRZSA-N 440.905 3.274 0 50 IGAA Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC[C@H]1CCCO1 1062351 BPHOJZNELNVLFM-QGZVFWFLSA-N 437.525 3.019 0 50 IGAA O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1ccc(Cl)cc1 1125527 UIBAYMZKEGWOJR-INIZCTEOSA-N 427.625 3.357 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 1139924 FFFYCRMIRCPWDP-OAHLLOKOSA-N 434.514 3.055 0 50 IGAA CCOC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl 3130118 LGEBIMKKALCMOB-LLVKDONJSA-N 428.725 3.202 0 50 IGAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)CCc3ccncc3)CC2)c1 11667826 GQFBTCJMUQZLRI-UHFFFAOYSA-N 444.535 3.409 0 50 IGAA CCOC[C@@H](O)CNC(=O)c1ccc(OC2CCN(CC(C)(C)C)CC2)c(Cl)c1 11843265 GRUYDEODRINIIX-KRWDZBQOSA-N 426.985 3.357 0 50 IGAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(Cc2ccccc2)CC2CCC2)c1 11933643 JRWVYVZGXLCQIJ-DEOSSOPVSA-N 435.568 3.215 0 50 IGAA O=C(NCCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1F)c1ccccn1 12190051 ZGFGJESFMJCABD-HNNXBMFYSA-N 427.505 3.045 0 50 IGAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N(CC1CCC1)C[C@@H]1CCCO1 13636742 OROJTMYTGUNXSS-SFHVURJKSA-N 427.501 3.129 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccc(F)c(F)c2)C4)cn1 14975107 IRCGEZZXEYKKHM-OAHLLOKOSA-N 441.507 3.165 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)n1 17097609 FPWMVNUEYQVEFR-UHFFFAOYSA-N 431.543 3.083 0 50 IGAA COc1cc(CN2CCC(N3CCCCC3)CC2)cc(I)c1O 23280502 MHVOURUAJJXQKA-UHFFFAOYSA-N 430.330 3.456 0 50 IGAA C[C@@H](Nc1ccn(Cc2ccccc2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 170591803 NKMKOCDHWNEFNE-GOSISDBHSA-N 426.542 3.125 0 50 IGAA COc1ccc2cc(CN(C)C(=O)CN3CCO[C@H](Cn4nc(C)cc4C)C3)ccc2c1 303306513 JJHBLFWVXJBDQZ-DEOSSOPVSA-N 436.556 3.021 0 50 IGAA CC1CCN(c2nc(Cl)nc(N(CCN3CCOCC3)Cc3cccc(F)c3)n2)CC1 2325809462 RCUHNLWGKLRCCR-UHFFFAOYSA-N 448.974 3.239 0 50 IGAA Cc1cc(C2CC2)ccc1NC(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901683 TWNSIYKKKKDQHD-HXUWFJFHSA-N 432.480 3.277 0 50 IGAA C[S@@](=O)(=NC(=O)C1(c2ccccc2F)CC1)C1CCN(C(=O)c2cscn2)CC1 2332238578 DEXCJAKAHAUVNC-LJAQVGFWSA-N 435.546 3.243 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)c2cccc(F)c2OC(F)(F)F)CC1)c1ccoc1 2332238896 PCNFLPDRJTXJBS-PMERELPUSA-N 448.394 3.472 0 50 IGAA COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1O 1210175 LHSHTHPFOYTXHP-UHFFFAOYSA-N 432.388 3.152 0 50 IGAA CC(C)CC[C@]1(C2CCN(C(=O)CC3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 11791359 VVCYSAGGDZWRHS-XMMPIXPASA-N 426.561 3.347 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 11958038 APILOFCZBILFKB-FQEVSTJZSA-N 435.586 3.006 0 50 IGAA COc1cccc([C@@H](C)NC(=O)c2cn(Cc3ccccc3)cc(C(=O)NC3CC3)c2=O)c1 11978393 VLCBUYZMTZFEBP-QGZVFWFLSA-N 445.519 3.288 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1 11999537 GWTCCEPQMFHFPS-SFHVURJKSA-N 444.528 3.249 0 50 IGAA CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(Cc1ccc(OC)cc1)C2 14539821 RVBSPXWCXSOWTA-UHFFFAOYSA-N 434.540 3.409 0 50 IGAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@H](N(CC)CC)C2)c1=O 14954264 ZUALUTQUDIQADJ-FQEVSTJZSA-N 444.620 3.440 0 50 IGAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)[C@H]4CCOC4)c3C3CC3)ncc1CC2 14995994 BBVCVWAFZUFQCP-SFHVURJKSA-N 445.523 3.175 0 50 IGAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN([C@@H]1CCN(Cc3ccccc3)C1)CC2 20110019 MQKNTSXQFKAVBQ-GOSISDBHSA-N 449.521 3.170 0 50 IGAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cn(Cc2ccc(F)cc2Cl)nn1 23129050 CYCPXICPAKYMRM-QGZVFWFLSA-N 427.911 3.338 0 50 IGAA COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cc1 23358784 TWTIZBOGIIXAHY-QHCPKHFHSA-N 426.557 3.167 0 50 IGAA CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(C)C)C(=O)O 252346931 JZLWYSPHIJJBDU-UDTPNQRGSA-N 446.548 3.469 0 50 IGAA COc1ccc(-c2nn3ccn(Cc4nc(-c5cccc(C)c5)no4)c(=O)c3c2CO)cc1 263619315 YBTYYVHOXRAWCZ-UHFFFAOYSA-N 443.463 3.071 0 50 IGAA O=C([C@@H]1CC=CCC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 299774749 HVMXONCYZADEJK-GGAORHGYSA-N 439.575 3.455 0 50 IGAA CCOC[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)C1 477615681 KJEHSZUTMOIFAX-QGZVFWFLSA-N 432.542 3.385 0 50 IGAA O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1)Nc1ccc(F)cc1 2325874509 PGOJZXKODWNXDX-FXAWDEMLSA-N 440.523 3.043 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccc(F)cc2)cc1 1170165 HTAVEGNAAHMOBI-UHFFFAOYSA-N 441.484 3.067 0 50 IGAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3csc(C)n3)C2)c(OC)c1 12315803 YQGQGFKCYCJTON-INIZCTEOSA-N 431.558 3.418 0 50 IGAA CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 12612206 MZQVMAICVIIIAR-OAQYLSRUSA-N 432.505 3.054 0 50 IGAA Cc1cc(C)n(-c2ccc(C(=O)N3CCc4c(c(C(=O)NC5CCCC5)nn4C)C3)cc2)n1 14535000 OUSPQSAEZLTKMB-UHFFFAOYSA-N 446.555 3.094 0 50 IGAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccc(OC)c(OC)c1)C2 14541688 NJUMRBZWXALNIK-SFHVURJKSA-N 426.561 3.193 0 50 IGAA COc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC(C)C)cc2c1OCO2 14972082 UOLLYFCLEKBHLL-SJORKVTESA-N 429.542 3.079 0 50 IGAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1 16487814 RGGZDGGBHJUEQA-FQEVSTJZSA-N 428.554 3.071 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)c(C)c1 169757847 FQPWTRIDXQYRCY-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252536809 JPNQPSMVUDPMQM-LJQANCHMSA-N 436.516 3.258 0 50 IGAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N1CCC[C@@H](C(=O)Cc3ccccc3)C1)C2 299786248 WISGZXJLNVARAD-TZIWHRDSSA-N 436.552 3.329 0 50 IGAA COCCCCN1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 328589962 OLCZGGIQDYKYHJ-UHFFFAOYSA-N 446.617 3.114 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 334159679 IXLFYPLDMWWGNU-NRYAXDJKSA-N 427.545 3.169 0 50 IGAA O=C1CNC(=O)c2ccc(C(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)cc2N1 431745010 PJLXFMIQLBDQAT-FPXRNPNWSA-N 437.499 3.396 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCC2(c3ccccc3)CC2)C1 1857683468 GZFJPRRHDBCSOM-MVERNJQCSA-N 425.617 3.047 0 50 IGAA O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cc(Br)c2c(c1)OCCO2 1875333957 RFAWNLDQKRRVOV-HDJSIYSDSA-N 434.290 3.130 0 50 IGAA CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(C(F)F)c1)c1ccccc1 2325869636 WTHLLESYEIBCNE-VQTJNVASSA-N 429.467 3.109 0 50 IGAA COc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 1065527 DOOMDPAKCRLUKA-JTQLQIEISA-N 447.738 3.417 0 50 IGAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc(I)c1 1113828 SXGVJTKJEKKCPT-UHFFFAOYSA-N 437.262 3.259 0 50 IGAA CCn1cc(Cn2cc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)cn2)cn1 2805225 OMCZXBSIPPMFJG-UHFFFAOYSA-N 429.834 3.354 0 50 IGAA Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)no1 2884654 BGMNODYHQJYOAN-UHFFFAOYSA-N 446.432 3.323 0 50 IGAA COc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 6075924 LQZHJHJMCMULOF-ACCUITESSA-N 443.521 3.309 0 50 IGAA CC[C@H](O)C1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12163465 MXSLULFVWYUVQP-WNCULLNHSA-N 448.563 3.380 0 50 IGAA CCOC(=O)N1CCC(N2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)CC1 12717387 MLFSLRQGRFCDGU-LJQANCHMSA-N 431.577 3.425 0 50 IGAA Cc1ncoc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14879971 BRSIBNOPJUYNGC-QNBZTBGESA-N 448.567 3.083 0 50 IGAA O=C(c1ccc(=O)[nH]c1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 14978351 CVMDUKXSRCAUHZ-NRFANRHFSA-N 427.520 3.047 0 50 IGAA COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CCN(Cc1cccc(Cl)c1)CC2 19842415 HMAQAAVLBWTDEG-UHFFFAOYSA-N 441.915 3.092 0 50 IGAA CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nnc(-c2ccc(Cl)cc2)s1 100116395 OPUIFMOEKSUETI-GASCZTMLSA-N 432.933 3.387 0 50 IGAA Cc1cccc(N(C)C(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757900 STYXWXIBIRRVGE-FQEVSTJZSA-N 425.872 3.189 0 50 IGAA O=C(NC[C@H]1CCCCO1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 328592429 GICYUJFWKRCZQU-MRXNPFEDSA-N 440.924 3.257 0 50 IGAA Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1C 467278696 OJBQTVKOQDNKCQ-INIZCTEOSA-N 444.523 3.434 0 50 IGAA O=C(NCCc1ccc2c(c1)CCO2)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 480065963 WUUFQZZLFAOMJC-GOSISDBHSA-N 431.418 3.390 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCc3cnccc3OC(C)C)C2)s1 806100923 KCFJZNAKWHZCEB-MRXNPFEDSA-N 438.571 3.383 0 50 IGAA COc1ccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1S(N)(=O)=O 813861663 WDJKUBBJPKJSHZ-UHFFFAOYSA-N 437.477 3.081 0 50 IGAA CC1(C)CCc2cc(CC(=O)N3CCN(Cc4nc(O)c5ccccc5n4)CC3)ccc2O1 952962679 IBLXKDIHIOKFML-UHFFFAOYSA-N 446.551 3.326 0 50 IGAA C[C@]1(c2cccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)c2)NC(=O)NC1=O 1318124752 VIXUQQWUOBDOHF-RUZDIDTESA-N 430.508 3.421 0 50 IGAA NC(=O)[C@]1(c2ccccc2)CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 1857530638 KGEBSTSKKVNWSS-HXUWFJFHSA-N 427.302 3.128 0 50 IGAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C/C=C/c1ccccc1 1857739063 BRFFZPHAUGNZBB-JPZWTCJMSA-N 437.515 3.001 0 50 IGAA COc1ncccc1-c1cn(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)nn1 1875321832 XRHKFISFKLNGNQ-UHFFFAOYSA-N 432.406 3.240 0 50 IGAA O=C1C=C(COC(=O)c2cn(-c3ccccn3)nc2-c2cccc(Br)c2)CO1 1875337008 NGNAOFBFVQLFNM-UHFFFAOYSA-N 440.253 3.337 0 50 IGAA O=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 827243 NJKSZQUABMKTAV-UHFFFAOYSA-N 430.349 3.333 0 50 IGAA CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccc(Br)cc1 2881728 UAHAFVYDOONDGE-UHFFFAOYSA-N 439.331 3.301 0 50 IGAA OCCOc1ccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 12197460 BGYXIDSLXSUJKM-OAQYLSRUSA-N 442.629 3.415 0 50 IGAA Cc1ccn(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)n1 12443190 CYVNMQWEHWGYPX-VWLOTQADSA-N 436.600 3.079 0 50 IGAA CNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2OC)CN1Cc1cccc(Cl)c1 20911463 XIDIRVOGBPCQTA-PMACEKPBSA-N 431.964 3.144 0 50 IGAA C[C@H](NC(=O)c1ccc(CN2CCN(C3CCCCC3)CC2)[nH]c1=O)c1cccs1 23361219 PLDHGOSQFVCNBB-KRWDZBQOSA-N 428.602 3.378 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 87493297 LOORPDPTUOMYOZ-UXHICEINSA-N 440.496 3.037 0 50 IGAA Cc1cc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(-c2ccc(Cl)cc2)n1 169752819 LBMQTLVQAGSJHL-UHFFFAOYSA-N 440.906 3.360 0 50 IGAA CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 170594451 QVWOENVYTKJKMA-BQYQJAHWSA-N 445.541 3.298 0 50 IGAA CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)C1 170600807 JQXMNVGJFYUWNI-YZVOILCLSA-N 439.503 3.092 0 50 IGAA CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1c(OC)cccc1OC 253432815 OMPTUXUSIBLYBK-KRWDZBQOSA-N 431.514 3.163 0 50 IGAA COC(=O)[C@](C)(CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 429090538 BAMZHTFUUGTJLU-QATBIIFWSA-N 427.520 3.391 0 50 IGAA CC1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)Cc2ccccc2C1 769288392 ZZYLKXVNELDAHB-SANMLTNESA-N 427.504 3.281 0 50 IGAA Cc1cc(-c2ccc(S(=O)(=O)N3C[C@@H]4CNC[C@@]4(CCc4ccccc4)C3)o2)on1 1772710085 OGMCUJUZQJGHCM-AVRDEDQJSA-N 427.526 3.086 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc3[nH]ccc13)C2 1857685126 CLNLJNQAZFBUGA-DNRQZRRGSA-N 425.573 3.424 0 50 IGAA NS(=O)(=O)c1cccc(NC(=O)CCN2CCC(c3cccc4[nH]ccc34)CC2)c1 1875362092 QPBVXBOYPHZNRM-UHFFFAOYSA-N 426.542 3.024 0 50 IGAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCCc2scnc21)c1ccc(F)cc1F 2325877732 YWXYVBHMUZCUCR-MXSMSXNCSA-N 449.523 3.240 0 50 IGAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 871749 HDLBMRGNTLACSD-UHFFFAOYSA-N 443.956 3.285 0 50 IGAA CCOC(=O)c1ccc(NC(=O)COc2c(Br)cc(C=O)cc2OC)cc1 1132908 TUAWOJJMFTWFBF-UHFFFAOYSA-N 436.258 3.464 0 50 IGAA O=C(NC(=S)Nc1ccccc1C(=O)O)c1cccc(I)c1 9763728 KPPOVOIYKDFZKH-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA COc1ccc(N[C@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1OC 11936974 XBNAUIKUJAVJEA-FQEVSTJZSA-N 425.529 3.257 0 50 IGAA CCCc1cc(C(=O)NC[C@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc3O2)no1 11972241 DJEYEMFPLNYZBI-LJQANCHMSA-N 440.521 3.431 0 50 IGAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 12112141 PQWLPAAZSBRIKI-NRFANRHFSA-N 434.540 3.288 0 50 IGAA O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N(CCO)Cc1cccs1 12432543 NYCJGPAHQBXHDL-UHFFFAOYSA-N 428.554 3.163 0 50 IGAA CCN(CC)C(=O)c1c(Cc2cccc(F)c2)n(CCCN2CCOCC2)c(C)cc1=O 19884713 WQKCSWYQVXTTGB-UHFFFAOYSA-N 443.563 3.091 0 50 IGAA CCc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(Br)cc4)CC3)nn2)n1 169780184 KHGONDYFTSHPOJ-UHFFFAOYSA-N 445.321 3.059 0 50 IGAA CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 252674807 SPJNGIVXGIAFSN-MQSCRBSSSA-N 442.581 3.441 0 50 IGAA C[C@H](C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 468658705 LKMVRSGMWCLISE-ZSNNFYQVSA-N 430.504 3.006 0 50 IGAA Cc1ccc2c(C(=O)N[C@@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)csc2c1 480023301 ZDPRNNCRWIJUKU-QGZVFWFLSA-N 437.569 3.235 0 50 IGAA COc1ccc(CNC(=N)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1OC 849074832 DHZCKZATBWAPIU-UHFFFAOYSA-N 445.321 3.066 0 50 IGAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cc1nc(-c2ccccc2)oc1C 1318864329 AMDRTBPKZLSBQX-QGZVFWFLSA-N 428.514 3.004 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@H](O)[C@@H](CO)C3)c12 1469086136 XYJVBETVQQUSNF-DYVFJYSZSA-N 435.402 3.032 0 50 IGAA CO[C@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)c2cncn2-c2ccc(F)cc2)C1 1875254769 ROGHELFHFFINAS-ICSRJNTNSA-N 432.459 3.399 0 50 IGAA CCOc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 882528 XSOSJSRWJCUWMZ-UHFFFAOYSA-N 439.537 3.300 0 50 IGAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 1153691 SFUACOHPUAVVFQ-UHFFFAOYSA-N 442.468 3.431 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 2883341 RKGMMDHXCGCHAQ-INIZCTEOSA-N 434.489 3.042 0 50 IGAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccccn4)CC3)O2)c1 11787306 WVQCSCQPQMFYBG-FQEVSTJZSA-N 425.529 3.042 0 50 IGAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)c(OC)c1 11933039 GZUCHNDEMVXUKJ-QHSLDKKCSA-N 437.540 3.447 0 50 IGAA CC(C)(C)CN1CCC(Oc2cccc(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)c2)CC1 12056909 WZWBSTOVTNVCGO-GOSISDBHSA-N 427.589 3.317 0 50 IGAA COc1ccc(OC)c(CC(=O)NC[C@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c1 12184959 IAGJAAMWHFFHBL-OAQYLSRUSA-N 433.508 3.440 0 50 IGAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccccc1Cl 12413300 DAUIAXVACMIGCD-OAHLLOKOSA-N 440.930 3.216 0 50 IGAA COC(=O)C1CCN(CCCN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 225733856 ZNBRYZTZFKNNQN-FCHUYYIVSA-N 445.604 3.254 0 50 IGAA C[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1cccc(C(F)(F)F)c1 302732749 XJGABYBRPGVELZ-ZDUSSCGKSA-N 427.448 3.144 0 50 IGAA O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 439232644 CASFYKBUWRCHLQ-CUBQBAPOSA-N 443.591 3.404 0 50 IGAA O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1sccc1-c1ccccc1 492710618 ZMGTWPOHOOQLIS-LJQANCHMSA-N 449.580 3.441 0 50 IGAA COCCc1noc([C@@H]2CCCCN2S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)n1 824462488 VZOKATUAJAEAAQ-KRWDZBQOSA-N 446.529 3.446 0 50 IGAA O=C(NC[C@@H]1CC2(CCC2)CN1C(=O)c1ccc2nn[nH]c2c1)c1cc2cccnc2s1 1875360240 CFXQMSZDAUKFNB-INIZCTEOSA-N 446.536 3.382 0 50 IGAA CNC(=O)c1cccc(NC(=O)C2(NC(=O)COc3ccccc3Cl)CCCC2)c1 1875390232 ZGYVIVSWGDINQQ-UHFFFAOYSA-N 429.904 3.146 0 50 IGAA CN(CC(C)(C)NC(=O)c1cnn(CCC(F)(F)F)c1)C(=O)[C@H]1CC2(CCCC2)CO1 2325828217 BGEBHPCSQXLHTA-MRXNPFEDSA-N 444.498 3.152 0 50 IGAA COc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1Cl 679132 LFKBFXQOPGRMRL-UHFFFAOYSA-N 447.685 3.475 0 50 IGAA COc1ccc(C)cc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 869425 AERCBOPVUJTIEC-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA CCN1CCC[C@H]1CNC(=O)c1c(COC)n(CCc2ccccc2Cl)c(C)cc1=O 11784106 YCSKOBCFETYENT-IBGZPJMESA-N 445.991 3.413 0 50 IGAA CCS(=O)(=O)c1ncc(CN(Cc2cnn(C)c2)C(C)C)n1CCc1ccccc1 11936209 SPQISLRGKQZFOO-UHFFFAOYSA-N 429.590 3.064 0 50 IGAA CCc1nccn1CCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2)C1 12442596 HZIFJVACRVWGST-DEOSSOPVSA-N 428.552 3.498 0 50 IGAA CC(=O)Nc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 13797337 ROYKLUHHJVVCJJ-UHFFFAOYSA-N 442.526 3.045 0 50 IGAA COc1cc(CNCc2nc(C)cc(C)n2)ccc1OC[C@@H](O)CN1CCCCCCC1 15077133 BKEHKIMQQFQTGW-QFIPXVFZSA-N 442.604 3.398 0 50 IGAA COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(F)cc3)c(C)o2)cc1 15944302 QMQSGZHZLUAMOM-UHFFFAOYSA-N 432.473 3.029 0 50 IGAA COC(=O)[C@H]1CCCCN1C(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 39355060 HUTSFSBINUYSEU-NFBKMPQASA-N 438.524 3.185 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccccc1 55211106 TVPPNMWBMFBGND-RUZDIDTESA-N 427.548 3.325 0 50 IGAA COc1ccccc1OCc1nn2c(CN3CCN(c4ccccc4)CC3)nnc2s1 65364043 NLOJQXPVXFVLDL-UHFFFAOYSA-N 436.541 3.096 0 50 IGAA COc1ccc(CCN(C(C)=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 100067696 ODQVUDWKAMOMAW-GOSISDBHSA-N 430.888 3.080 0 50 IGAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(C[C@H](C)c1ccccc1)CC2 299762809 BHDHFHSRNQOFFY-IBGZPJMESA-N 447.535 3.271 0 50 IGAA CCOC(=O)Cc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c(Cl)c1 328595746 DDWOOBLYLSVCFS-UHFFFAOYSA-N 443.312 3.251 0 50 IGAA CCCN(C(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)[C@H]1CCc2ccccc2C1 474571027 WVGZYNZBXNGOME-HNNXBMFYSA-N 433.438 3.122 0 50 IGAA Cc1cc(=NC[C@@H]2C[C@@H](C)N(C(=O)C3CCC4(CC3)CC(O)C4)C2)[nH]c(C(C)(C)C)n1 1875338279 RHTSWFQEJIINJM-QQGDPROUSA-N 428.621 3.485 0 50 IGAA COc1ccc2cc([C@H]3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1 2049252048 FQMYZWGONAJSHR-OAHLLOKOSA-N 433.416 3.109 0 50 IGAA C[C@@]1(C(=O)N2CCCN(C(=O)c3ccco3)CC2)CC(c2cccc(Cl)c2F)=NO1 2325828812 RRTFPTAKVAEZJL-NRFANRHFSA-N 433.867 3.330 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F 640382 KEHJVSXMDUWFKC-UHFFFAOYSA-N 445.310 3.164 0 50 IGAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCc1ccccn1 12243137 QDVYRGPQYCKCID-UWJYYQICSA-N 441.959 3.490 0 50 IGAA COc1ccccc1[C@]1(CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC(=O)N(C)C1=O 14879544 RSQXRHWKIAGXBI-ZMCQLTRBSA-N 438.568 3.387 0 50 IGAA C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 229758091 MPSDIUNPKJSJKX-DBXWQHBBSA-N 431.577 3.312 0 50 IGAA COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)C2=O)cc1 239310127 IEEFNQLQRLGHNH-BFIDETRKSA-N 435.524 3.305 0 50 IGAA CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 252535951 HHMMLGATHJCXOW-ZOBUZTSGSA-N 434.533 3.332 0 50 IGAA COc1cc(NC2CCN([C@@H](C)c3nc(N)nc(=Nc4ccccc4)[nH]3)CC2)cc(OC)c1 431004599 HWJFZDJQMLFLNN-INIZCTEOSA-N 449.559 3.274 0 50 IGAA Cn1c(O)nc2ncc(-c3cccc(C(=O)N4CCN(c5ccc(Cl)cn5)CC4)c3)cc21 475233202 HHSOYMNVYWWWKN-UHFFFAOYSA-N 448.914 3.352 0 50 IGAA NC(=O)[C@@H]1CCCN(c2ccccc2CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C1 2325748759 CXJIDBTVEKBWIX-CQSZACIVSA-N 446.338 3.273 0 50 IGAA CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N1c3c(cc(C)cc32)[C@H](C)CC1(C)C 9350810 MFQSZDNBKNFRTN-OIRASMEMSA-N 436.512 3.071 0 50 IGAA COc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1OC[C@@H](O)CN(C)C(C)C 11664074 CKPWDDICKSOOFF-QFIPXVFZSA-N 438.572 3.455 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)[C@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)o1 12245324 CAVPNNJQKYCWCR-GOSISDBHSA-N 426.448 3.132 0 50 IGAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3ccc(Cl)s3)CC2)cc1 12452606 SFXYRARUGXHROA-UHFFFAOYSA-N 429.011 3.378 0 50 IGAA COc1cc(CN2CCC(N3CCCCC3)CC2)ccc1OC[C@H](O)CN(C)C(C)C 12585305 RTISTOBPGFAPLV-HSZRJFAPSA-N 433.637 3.225 0 50 IGAA O=C(CCCn1cncn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12746943 XAXNOWQDJLNFLS-JOCHJYFZSA-N 443.567 3.117 0 50 IGAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1ccc(Cl)cc1 14996625 RYZRYOPNGWQYGB-CTNGQTDRSA-N 438.915 3.072 0 50 IGAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 16624850 HRWQQNIJSKJZLT-UHFFFAOYSA-N 442.368 3.247 0 50 IGAA O=C(CCC1CCCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 20166507 AQZZGDPFMPFGPV-JWQCQUIFSA-N 427.633 3.169 0 50 IGAA C=Cc1ccc(Cn2c(=O)c3c(C(=O)OC)cc(C)nc3n(-c3ccccc3)c2=O)cc1 20345116 KYNNNWPRLJMPJT-UHFFFAOYSA-N 427.460 3.334 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2-c1ccccc1 20357144 QRYSOBAHIASPFS-UHFFFAOYSA-N 429.476 3.308 0 50 IGAA COc1ccccc1CN1C[C@H](C(=O)N2CCN(Cc3cccc(C)c3)CC2)CCC1=O 20450480 SRBJTRAOLNQEMM-HSZRJFAPSA-N 435.568 3.087 0 50 IGAA S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1 34951302 FOFDIMHVKGYHRU-UHFFFAOYSA-N 447.520 3.301 0 50 IGAA investigational CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1 170614543 NONATOUIECKAPG-PMACEKPBSA-N 433.474 3.315 0 50 IGAA CC[C@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1ccc(OCCn2cccn2)cc1 225397572 SCLCFHHXNPQUHI-OAQYLSRUSA-N 443.525 3.109 0 50 IGAA CC(=O)c1c[nH]c(C(=O)NC[C@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2ccc(Cl)cc2)c1 225669844 WJDCBJGMRDQXGQ-FQEVSTJZSA-N 440.887 3.303 0 50 IGAA COCCc1nsc(N2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)n1 444836903 RKFUYORYNCVRSG-SFHVURJKSA-N 429.546 3.116 0 50 IGAA Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3CN3CCCC3=O)CC2)cc1 952975281 XCKPUFHVXKQCEE-UHFFFAOYSA-N 433.552 3.286 0 50 IGAA CCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(C(=O)c2cnccn2)CC1 1857687818 GOJOWSUZSSOLRE-UHFFFAOYSA-N 428.540 3.298 0 50 IGAA O=S(=O)(Nc1ccccn1)c1ccc(NS(=O)(=O)c2ccsc2Cl)cc1 1875317406 YPLDSPIOHZKABN-UHFFFAOYSA-N 429.932 3.398 0 50 IGAA CN(C)c1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 881427 KWYKBPHBEOXECY-UHFFFAOYSA-N 425.295 3.484 0 50 IGAA CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 958625 QRGVNCRTIJSCIQ-UHFFFAOYSA-N 431.470 3.200 0 50 IGAA CCOC(=O)c1sc2ncn3nc(-c4c(Br)c(C)nn4C)nc3c2c1C 2790204 UTNRDUYSUCTHBF-UHFFFAOYSA-N 435.307 3.296 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1cccs1 6172273 SAJAOJGNWLUDKU-OBHPCNEJSA-N 430.938 3.123 0 50 IGAA COc1ccc(Br)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 9192636 KWNFDHUPFPZZIW-UHFFFAOYSA-N 432.318 3.379 0 50 IGAA CN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)(c2cccc(F)c2)C1=O 11782374 WXSBYQCFCYZNON-PUAOIOHZSA-N 449.482 3.390 0 50 IGAA COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)c2ccc(OC)c(F)c2)CC3)c1 11882066 OQIOSWQDWDGJAA-HXUWFJFHSA-N 440.515 3.444 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O 14535011 KAWNRDDZWBNXQB-UHFFFAOYSA-N 437.540 3.141 0 50 IGAA C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 14966017 YLTMAXAQUMTXBD-QGZVFWFLSA-N 439.510 3.425 0 50 IGAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 15065139 VZHRXCMIRFUKDD-NRFANRHFSA-N 425.577 3.005 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N(C)C[C@H]4COCCO4)c(C)c23)c1 19884431 OFCFSUSUUGUSPE-KRWDZBQOSA-N 442.541 3.108 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1ccccc1)CC2 20598646 BOXVCVABTQNJTL-GOSISDBHSA-N 435.524 3.341 0 50 IGAA O=C(NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2)c1cccc(F)c1 20781748 GEZCZMFHEKUGAJ-UHFFFAOYSA-N 447.436 3.424 0 50 IGAA COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 33260403 HUNPJIBLUUEYRM-UHFFFAOYSA-N 442.523 3.333 0 50 IGAA O=C(c1nc2sccn2c1CN1CCC[C@H](OCc2ccccn2)C1)N1CCCC1 55182523 KQOFZFDKVPJUCH-SFHVURJKSA-N 425.558 3.208 0 50 IGAA COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 67621487 CKPFNORBMZZHQI-UHFFFAOYSA-N 435.532 3.259 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4C)ccn3n2)cc1 169775888 VJHNPGQJVMWNTI-UHFFFAOYSA-N 430.508 3.229 0 50 IGAA CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239425883 VKSWWKVSUNCTGB-BQQNWIQDSA-N 441.911 3.144 0 50 IGAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCN([C@H](C)c3ccccc3)C1)C2=O 241371270 MLYMOVNUUHOSHB-QCKQGSCRSA-N 440.588 3.075 0 50 IGAA COc1cc(I)c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)O)cc1OC 432105820 FZVGNWDOTWLHKI-GTNSWQLSSA-N 447.269 3.072 0 50 IGAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 1506419056 WHVINWJYWDZXMH-CQSZACIVSA-N 435.502 3.243 0 50 IGAA O=C(NC[C@@H]1CCC2(CCC2)O1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1857527593 RQJFNBSCDOEDQM-JKSUJKDBSA-N 427.423 3.091 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccc(Cl)cc2F)CC1 2100548028 SKOAEYNJFJRXKZ-UHFFFAOYSA-N 432.927 3.291 0 50 IGAA O=C(C(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1)N1CCC[C@H](c2cc(O)cc(F)c2)C1 2325816948 WLWNNCJPFYWXRK-HOTGVXAUSA-N 444.478 3.488 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1 665668 VQTDTCOZPWMCKN-UHFFFAOYSA-N 430.267 3.359 0 50 IGAA CN1C(=O)c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2C1=O 678735 BDABSOYVDWCHEJ-UHFFFAOYSA-N 440.624 3.423 0 50 IGAA COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 882602 DXPDCAWUOJCNIA-UHFFFAOYSA-N 446.569 3.466 0 50 IGAA COc1ccc(C(=O)NC(=S)N(C)c2ccccc2)cc1I 1071439 NTXHRCGTXOFQCN-UHFFFAOYSA-N 426.279 3.451 0 50 IGAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 1121407 QJRCXJRTMXAUHA-UHFFFAOYSA-N 447.973 3.460 0 50 IGAA O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc(I)cc1 6998021 OGJRBIMJHLRIFF-UHFFFAOYSA-N 437.266 3.202 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8425044 YJXCNIJXRYNMRH-IZWBEQICSA-N 446.528 3.082 0 50 IGAA Cc1csc(CNC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCCC3)c2=O)n1 12000776 NXXVFJDJCLARKW-UHFFFAOYSA-N 430.574 3.215 0 50 IGAA Cc1cc(=O)c(C(=O)NC(C)(C)CO)c2n1-c1ccccc1S[C@@H](c1ccccn1)C2 12133020 KJXKOPKRPYRDRR-OAQYLSRUSA-N 435.549 3.431 0 50 IGAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)[C@H]3CC=CCC3)CC2=O)cc1 14749826 XRZIKHZTBZOZCG-LADGPHEKSA-N 449.551 3.203 0 50 IGAA COc1cc(CNC(=O)CC[C@@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc(OC)c1 14885989 GRIDCRFJVWNVBF-DEOSSOPVSA-N 444.503 3.139 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N[C@H](C)c2ccco2)c1 15006382 LLJLUVLNNBLSJT-QGZVFWFLSA-N 443.544 3.421 0 50 IGAA COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(OCn2cc(Cl)cn2)c1 20606122 NPKDIOAFUWTSGB-HXUWFJFHSA-N 425.872 3.313 0 50 IGAA COc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)c1 54274435 SKMLBCXRWUYSES-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA Cc1nc2sccn2c1C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55166232 HNHFVSUKGVDYHR-KRWDZBQOSA-N 427.549 3.270 0 50 IGAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1)C2 244893075 YVDJFEVOOQFHED-FDDCHVKYSA-N 441.547 3.371 0 50 IGAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4C[C@H](C)C[C@H](C)[C@@H]43)C2=O)cc1 248120453 DTGAJXXDKPSZGA-PKHCBNPCSA-N 433.508 3.372 0 50 IGAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCN3CCCC3)c2C2CC2)n1 299790294 BOURMXSAXWPDJP-UHFFFAOYSA-N 432.528 3.041 0 50 IGAA COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 499560699 MIPYPXCOMKIQDC-KRWDZBQOSA-N 438.532 3.338 0 50 IGAA Cn1nc(O)c2c(C(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)cc(C3CC3)nc21 1338308885 GDNOKLURLUGTQV-IBGZPJMESA-N 431.496 3.139 0 50 IGAA C=CC(=O)Nc1cccc(C(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)c1 1440700504 RFYWGXMKLDFBID-UHFFFAOYSA-N 436.468 3.139 0 50 IGAA Cc1nc(C(=O)N2C[C@@H]3CN(C(=O)Nc4c(C)cccc4Cl)C[C@]3(CO)C2)cs1 1772811132 QAZHNUQYOOPABF-VLIAUNLRSA-N 434.949 3.012 0 50 IGAA CN(Cc1nc(O)c2ccccc2n1)C(=O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857732053 ZYYUDUURFFITPV-HNNXBMFYSA-N 432.484 3.137 0 50 IGAA Cc1ccc(CCC(=O)N=[S@](C)(=O)C2CCN(C(=O)c3ncoc3C)CC2)c(C)c1 2332238490 AUAKSGRNYCRFOT-SSEXGKCCSA-N 431.558 3.462 0 50 IGAA COc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 669948 NXKYTRKGJLOACQ-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)[nH]2)cc1 9264688 MMQXNAJTDOAKIL-UHFFFAOYSA-N 425.514 3.048 0 50 IGAA CC(C)OCCCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 11998134 DPXTVQOMFKKHRI-UHFFFAOYSA-N 449.511 3.480 0 50 IGAA O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2cn3ccccc3n2)C1 12151181 VRDKZLCBNKEHNG-KNQAVFIVSA-N 432.524 3.257 0 50 IGAA COc1ccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(F)cc3)n2C)cc1 12384009 GSUXLKASGYNCFK-CYBMUJFWSA-N 428.489 3.429 0 50 IGAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccc(OC)c(O)c3)CC2)c1 12701494 WSSDTCKDNIQWPA-UHFFFAOYSA-N 426.513 3.345 0 50 IGAA O=C(Cc1cscn1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14534714 LFJDMWWYWVDYPA-NRFANRHFSA-N 427.570 3.275 0 50 IGAA COC(=O)c1c(NC(=O)Cc2ccccc2)c2cc(N[C@@H](C)CO)cnc2n1CC(C)C 14534985 YSHZJSPQZNZSRS-INIZCTEOSA-N 438.528 3.453 0 50 IGAA Cn1cc(CN2CC(=O)N(CCc3ccccc3)C[C@H](OCc3cccc(F)c3)C2)cn1 14745306 CKJMVKPSYWLJAW-XMMPIXPASA-N 436.531 3.032 0 50 IGAA COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(Cc1cc(OC)ccc1F)CC2 14884418 FSYXWZJUXDSQAG-UHFFFAOYSA-N 444.503 3.162 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)cc3)C2=O)cc1 100902658 VLMABJXDCNYIOH-GOSISDBHSA-N 426.494 3.176 0 50 IGAA CCOC(=O)[C@@H](NC(=O)CCc1c(C)nn(C)c1C)c1c(C)nn(-c2ccccc2)c1C 170621444 BNZKVYOGBJUDRO-QHCPKHFHSA-N 437.544 3.193 0 50 IGAA COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)O)c2)o1)c1c(O)n2ccccc2nc1=O 205949754 MNRKKSNSPIIGQF-OAHLLOKOSA-N 434.404 3.053 0 50 IGAA CN(CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1)Cc1ccccc1 253425955 WRCCWMVOMPLUKT-UHFFFAOYSA-N 444.333 3.430 0 50 IGAA CC[C@@H](NC(=O)c1cn(CCOC)cc(C(=O)N2CCCCCC2)c1=O)c1cccs1 299775942 MMBLRRYSMNHPLZ-LJQANCHMSA-N 445.585 3.454 0 50 IGAA CN(Cc1ccccc1)C(=O)NCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O 486365928 AKRMLDFWZJMVHK-QHCPKHFHSA-N 447.535 3.431 0 50 IGAA O=C(c1cccc2c1NCCC2)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@]2(CO)C1 1772808347 NTMIDTUKUZPJGR-KSFYIVLOSA-N 431.989 3.326 0 50 IGAA COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 703381 LQBUHRAWRQNFBN-RYUDHWBXSA-N 426.494 3.283 0 50 IGAA O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 881180 BVXSYTLHHJEBIC-QGZVFWFLSA-N 443.352 3.484 0 50 IGAA COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1075085 LHEKGUJFFQBDML-UHFFFAOYSA-N 425.392 3.300 0 50 IGAA COc1ccc(-c2noc(CN3CCC(OCc4ccccn4)CC3)n2)c(OC)c1OC 11668262 AVDJPAUPGDLXMS-UHFFFAOYSA-N 440.500 3.339 0 50 IGAA CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 12650706 FNWGGKDMEXMMBP-UHFFFAOYSA-N 427.320 3.107 0 50 IGAA CC(C)(C)OC(=O)N1CCN(c2ccc3c(I)n[nH]c3c2)CC1 66054928 PPEIKYPYQKCFHI-UHFFFAOYSA-N 428.274 3.225 0 50 IGAA Cc1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)cc1Cl 137560380 FGLUDNSHSVKZLU-YQQAZPJKSA-N 426.881 3.126 0 50 IGAA O=C(c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12)N1CCN(C2CCCCC2)CC1 263615783 FEYDNICTTWOURR-UHFFFAOYSA-N 440.935 3.241 0 50 IGAA Cc1cc(=O)c(C(=O)N2CC[C@@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)cn1C 952894080 PJIGMCBVAJEHKR-HXUWFJFHSA-N 432.402 3.090 0 50 IGAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cc4c(nc3OC)CCC4)CC1)OCC2 1704342688 CCQTWMPAOQDBOE-UHFFFAOYSA-N 438.524 3.300 0 50 IGAA O=C1CCc2ccc(OCC(=O)N[C@H]3CC[C@H](CN4Cc5ccccc5C4=O)CC3)cc2N1 1775942471 PYEHVIBYSVOYIN-IRJFHVNHSA-N 447.535 3.281 0 50 IGAA Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857684127 ZXWFXNRXOHCJKY-UHFFFAOYSA-N 425.510 3.195 0 50 IGAA C[C@H](NC(=O)c1cncc(-c2cn(-c3cncc(C(=O)O)c3)nn2)c1)c1cccc(F)c1 1875326093 AATPHMIKRTWMND-ZDUSSCGKSA-N 432.415 3.053 0 50 IGAA CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccnc1 1077441 GRCJZEYSYMWZJG-UHFFFAOYSA-N 426.502 3.058 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C[C@H]2CCOC(C)(C)C2)CC1 11874264 OXRDTWIUUAUESS-SFHVURJKSA-N 434.577 3.120 0 50 IGAA COc1cc(CNCC(C)(C)CN(C)C)ccc1OC[C@@H](O)CN(C)C1CCCCC1 14977558 BVJZBIHAEXJSPA-QFIPXVFZSA-N 435.653 3.377 0 50 IGAA COCCn1c(CN(C)CCn2ccc3ccccc32)cnc1S(=O)(=O)CC(C)(C)C 15073346 SNLRMWNRCHZDSW-UHFFFAOYSA-N 446.617 3.436 0 50 IGAA CC[C@H](C)N(CC(=O)OC)C(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O 225592028 WPWNWDONZVVMLH-HNNXBMFYSA-N 431.558 3.103 0 50 IGAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 245247159 QSIVJBZKVOIPJZ-UYOCQKMUSA-N 438.867 3.036 0 50 IGAA CC(C)n1c(CCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)nc2ccccc21 252527483 CQPDWWKQRXSCNI-PLMTUMEDSA-N 429.590 3.002 0 50 IGAA CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3O)cc21 253424469 GRFFNNYGQGTKCL-UHFFFAOYSA-N 429.420 3.304 0 50 IGAA Cc1ccccc1Cc1nnn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 435139666 POYJYFQCKLTXPO-FQEVSTJZSA-N 433.512 3.097 0 50 IGAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 825125156 KISQKBAZBBTVDX-SFHVURJKSA-N 431.514 3.088 0 50 IGAA Cn1cc(S(=O)(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)cn1 1857703343 ZXTOYUDVOQACLB-NRFANRHFSA-N 446.617 3.071 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 696109 KDXHPVYFTKEVNA-UHFFFAOYSA-N 432.527 3.003 0 50 IGAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(OC)c(Br)c1 1176761 HQTIXVDYPUNXGR-HNNXBMFYSA-N 425.304 3.281 0 50 IGAA COc1cc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc2c1OCO2 12079047 VWBNPYFKXJUNSN-QGZVFWFLSA-N 446.573 3.203 0 50 IGAA Cc1nc(N2CCC[C@H](C(=O)NCC3CCCCC3)C2)nc2cc(S(C)(=O)=O)ccc12 12199098 VZQMFOJCMAALNG-SFHVURJKSA-N 444.601 3.255 0 50 IGAA COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@@H](O)CN1CCSCC1 15073695 BBARJSILGIFZAM-FQEVSTJZSA-N 437.005 3.427 0 50 IGAA CNS(=O)(=O)c1cc(NCc2cccc(C)n2)cc(C(=O)Nc2ccc(OC)cc2)c1 19336603 HURVSPRQKUNQKW-UHFFFAOYSA-N 440.525 3.171 0 50 IGAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)c1 20997720 NEKUULHKNVXHFY-HNNXBMFYSA-N 441.482 3.114 0 50 IGAA O=C1N[C@H](C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CS[C@H]1Cc1ccccc1F 170636926 APMUCYVWBNBHRP-LSZYVWPRSA-N 436.911 3.433 0 50 IGAA Cn1c(=O)oc2cc(S(=O)(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)ccc21 328593926 ATGKLUUOKGXLBI-ZDUSSCGKSA-N 445.522 3.116 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H]2CCOC3(CCC3)C2)c1 427409955 YPJVJJMMFAEAKZ-SFHVURJKSA-N 449.617 3.149 0 50 IGAA Cc1ccc(Cc2nnn(Cc3nc(Cc4cccc(Br)c4)no3)n2)cc1 471609871 LDVWFHMTPDLUBE-UHFFFAOYSA-N 425.290 3.357 0 50 IGAA O=C1C[C@@H](c2nc(Cc3nc(-c4ccccc4)n[nH]3)no2)CN1c1ccc2c(c1)CCC2 761931078 JZSPAFOJZXGJBP-GOSISDBHSA-N 426.480 3.455 0 50 IGAA Cc1[nH]o/c(=N/S(=O)(=O)c2ccc(NS(=O)(=O)c3cscc3Cl)cc2)c1C 1875317395 YEENJAZJAIDNRQ-XDJHFCHBSA-N 447.947 3.030 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)Cc2ccsc2)(c2ccccc2C)C1=O 12196807 QPSOKVUNHLFLEI-MHECFPHRSA-N 442.581 3.227 0 50 IGAA CN1CCCN(C(=O)c2nc3sccn3c2CN2CCCC[C@@H]2c2nccs2)CC1 12307331 KDYPALMQDDCONQ-MRXNPFEDSA-N 444.630 3.357 0 50 IGAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14755621 BUJWKNJKRIUGCF-UHFFFAOYSA-N 447.579 3.489 0 50 IGAA COc1cccc(C[C@@H](C2CCN(C(=O)[C@H]3CCCO3)CC2)N(C)C(=O)c2ccco2)c1 14998125 JUPVLGUAFWODGB-JTHBVZDNSA-N 440.540 3.389 0 50 IGAA CCCC(=O)N1CCc2c(sc(S(=O)(=O)Nc3ccccc3C)c2C(=O)OC)C1 15068257 UITMJNLWNDKGLZ-UHFFFAOYSA-N 436.555 3.329 0 50 IGAA Cc1ccc(F)c(-n2nnnc2CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1 112526684 VRZHYMFZQVFYOE-HSZRJFAPSA-N 430.443 3.230 0 50 IGAA O=C(Nc1cn(Cc2ccccc2)nn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 170601816 PWBSFFFXNYBELT-UHFFFAOYSA-N 447.520 3.057 0 50 IGAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1 253388002 GJBGNWGYZHUTCN-WKILWMFISA-N 442.541 3.295 0 50 IGAA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(N(C)C)cc1 816212 PLJHZMFDXTUSGY-ONTRVFCTSA-N 440.540 3.317 0 50 IGAA COc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 1118077 MHLJXQSRLSQZMP-UHFFFAOYSA-N 445.324 3.275 0 50 IGAA O=C(NC1CCCCCCC1)c1cn(C[C@H]2CCCO2)cc(C(=O)N2CCCCC2)c1=O 12208846 SYEVTWMYSLWTKE-HXUWFJFHSA-N 443.588 3.496 0 50 IGAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C3)s1 12244962 MRAUKTNJJIDCBK-SFHVURJKSA-N 444.528 3.435 0 50 IGAA COCCSc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)s1 12863562 BAUUCYVRZGHFDN-UHFFFAOYSA-N 440.978 3.421 0 50 IGAA CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1nccs1)CC2 14536389 GLPFWYGVKNCSPR-UHFFFAOYSA-N 427.574 3.383 0 50 IGAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@H]2CCCO2)c2ncc(N[C@@H](C)CCO)cc12 14749624 VNNMFHVMLQWTLF-YQQAZPJKSA-N 446.548 3.169 0 50 IGAA CC[C@@]1(C2CCN(C(=O)C3CCCC3)CC2)NC(=O)N(CCc2scnc2C)C1=O 14879777 XORBWDZFBBSTEL-QFIPXVFZSA-N 432.590 3.123 0 50 IGAA CCOC(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19814755 CBINZVDPWHSFKO-UHFFFAOYSA-N 427.526 3.107 0 50 IGAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2-c1ccccc1 20220711 PPKNITINSBOMAW-UHFFFAOYSA-N 445.450 3.399 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCc1ccc2ncccc2c1 20599552 RVMGAXCHIXJVGR-VWLOTQADSA-N 438.531 3.395 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1OC 169775966 CPOYTDWWKLISJQ-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA CCO[C@@H]1C[C@@](NC(=O)CCc2ccc(OC)c(Br)c2)(C(=O)OC)C1(C)C 170602660 UEEAOXMDUZVZHW-OXQOHEQNSA-N 442.350 3.253 0 50 IGAA COCCOCCOCCN(C)C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 170605677 XWGPXFOAHKSJSH-UHFFFAOYSA-N 435.952 3.463 0 50 IGAA COc1ccc2ccccc2c1CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 237333186 MERSEUUXAABUOL-HXUWFJFHSA-N 433.556 3.234 0 50 IGAA CC(C)(COC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)S(C)(=O)=O 776576191 HHIIUGRUERIGBE-UHFFFAOYSA-N 431.436 3.144 0 50 IGAA CCCc1cc(C(=O)N2CCOC3(C2)CN(C(=O)c2ccn4c2CCCC4)C3)c(C)o1 1875354602 KKPYTVWDASVIKO-UHFFFAOYSA-N 425.529 3.046 0 50 IGAA C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)N1Cc2ccccc2C1 2325742098 NSIOKCRVGSUDLP-VIFPVBQESA-N 449.779 3.373 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1)c1ccc2cccnn12 2332238609 FMVRGJWDQHYIOT-DHMKHTPVSA-N 438.500 3.000 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2F)cc1 6184253 AAZLJLDGSBAOGQ-UHFFFAOYSA-N 427.501 3.036 0 50 IGAA C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 11995472 RPJMVHHAEIZKAX-KRWDZBQOSA-N 427.552 3.495 0 50 IGAA COc1cccc(CN(C)C(=O)c2ccc(-n3cc(NC(=O)[C@H]4CCOC4)cn3)cc2)c1 12150054 GFZIDLOCOBLPPE-IBGZPJMESA-N 434.496 3.128 0 50 IGAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)C[C@@H]1COCCO1 12455576 IEDSFXOVGQVXCH-QGZVFWFLSA-N 442.541 3.020 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)c1 14960409 FGNLGFBNYAAMGY-QGZVFWFLSA-N 446.931 3.312 0 50 IGAA Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](N(C)Cc2nonc2C)C4)cc1 15003994 DRMHWUOOHIQNIM-KRWDZBQOSA-N 435.553 3.495 0 50 IGAA C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc2ccccc2c1=O 16020924 NBGCWIUSRLOIBJ-OAHLLOKOSA-N 430.430 3.325 0 50 IGAA O=C(NC[C@H]1CCc2ccccc2O1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19835620 DRIWNHFHJMWGKV-JOCHJYFZSA-N 446.551 3.116 0 50 IGAA COc1ccc(CCn2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc1OC 40388185 MWUQDTITGSWIFA-UHFFFAOYSA-N 427.464 3.366 0 50 IGAA CN1[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@H](c2ccc(F)cc2)NS1(=O)=O 71754919 MQSXZKAMGDKFRW-HZPDHXFCSA-N 431.411 3.063 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](c1noc(CCCC(N)=O)n1)c1ccccc1OC(F)(F)F 252494334 NSGXXNRGNACKOC-OAHLLOKOSA-N 444.410 3.390 0 50 IGAA Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(C3CCC3)cc2)cc1C 427560433 TWNLQWRJEZDYPM-GGAORHGYSA-N 442.581 3.011 0 50 IGAA O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 746252178 RJSNFTOFRLXPHY-MSOLQXFVSA-N 447.557 3.243 0 50 IGAA O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CC(n2ccnn2)C1 779552530 BSAPEDZDZXTPHT-UHFFFAOYSA-N 439.401 3.242 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)NCc2noc(-c3ccco3)n2)ccc1F 1704306930 ZTFRPVAZMOASKH-UHFFFAOYSA-N 427.392 3.128 0 50 IGAA COc1cc(CN2C[C@@H]3CN(Cc4ccc(Cl)s4)C[C@]3(CO)C2)cc2c1OCO2 1772707312 VAJKMZJFXGPMEZ-VFNWGFHPSA-N 436.961 3.065 0 50 IGAA C[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c3ncccc23)CCN1c1ccc(F)cn1 1857668648 SMSCSEUGWYNSGZ-QGZVFWFLSA-N 430.487 3.365 0 50 IGAA C[C@@H]1CCCCN1Cc1ccc(CNC(=O)NCCNC(=O)c2n[nH]c3ccccc23)cc1 1875252672 CLYHFURZNJRXMB-GOSISDBHSA-N 448.571 3.167 0 50 IGAA O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822573 CCGKDALGTDWZSK-UHFFFAOYSA-N 427.888 3.075 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)c(OC)c2)c(OC)c1 909792 CLYAIVBYVLQUQA-HXUWFJFHSA-N 443.525 3.153 0 50 IGAA COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1 1162580 FQVXNVKVRLHVDQ-LBPRGKRZSA-N 436.249 3.291 0 50 IGAA CCNc1nc(NC(C)C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 2333869 KTDCQCBJDWUXHM-UHFFFAOYSA-N 443.335 3.005 0 50 IGAA CCn1c(CNC(=O)c2ccccc2OC)nnc1SCC(=O)c1ccc(OC)cc1 9262799 BLIFAOHKFPAFNF-UHFFFAOYSA-N 440.525 3.220 0 50 IGAA COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cccn1-c1ncccn1)CC2 12037200 MQLICNNRWULLKA-JOCHJYFZSA-N 445.567 3.237 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)c1cc(F)ccc1F 12164714 ISFCASNCMLIHMS-LJQANCHMSA-N 428.479 3.478 0 50 IGAA COc1ccc(CNCCc2cccnc2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12318478 PPYWJZMNFRTPPM-QHCPKHFHSA-N 427.589 3.428 0 50 IGAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(Oc3ccccc3C)CC2)cc1 12714299 SIDDUAJNYRVOQO-QHCPKHFHSA-N 435.568 3.064 0 50 IGAA COc1ccc(CN2CCN(CC3CC3)CC2)cc1OC[C@@H](O)CN1CCCCCCC1 20453874 VRHVVFJBXQMBAI-DEOSSOPVSA-N 445.648 3.229 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1OC 65362133 SNAHHMSHSHJQGU-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA CCOc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1OCC 169779725 XQLDVHZVUQOPOT-UHFFFAOYSA-N 436.512 3.378 0 50 IGAA COc1ccc(CCCC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1 225445886 BNPXEWRPEZWGOG-HXUWFJFHSA-N 431.330 3.480 0 50 IGAA Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239402773 RCRDVPPOKMVRTM-MOYUQDPVSA-N 435.520 3.334 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@H]54)[C@H]3C2=O)cc1 245254578 AKZGLKJMAMTSDA-UKAHIYEMSA-N 444.487 3.346 0 50 IGAA Cc1ccc2nc(C)cc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)N(C)Cc3nonc3C)c2c1 299785410 ZPEHLKUSYURSCH-FQEVSTJZSA-N 447.539 3.444 0 50 IGAA Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 476528035 ZGPHUUFBZIGZOU-CYBMUJFWSA-N 429.322 3.421 0 50 IGAA CNc1nc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cs1 807738985 ZTOTVMZNWSIFJP-ZDUSSCGKSA-N 437.363 3.490 0 50 IGAA COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1Cl 886025363 JCDWLJWAGAPXKM-DOTOQJQBSA-N 440.928 3.154 0 50 IGAA Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@]3(C(N)=O)CCOc4ccccc43)c12 2325748744 CKNTUKNIBYMRLB-XMMPIXPASA-N 446.438 3.230 0 50 IGAA COc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 624145 BORMKZRJEXVTLD-JOCHJYFZSA-N 425.510 3.280 0 50 IGAA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1Cl 1153323 JPOMMPHQQTZSHS-LDADJPATSA-N 425.872 3.151 0 50 IGAA Cc1c(NC(=S)NC(=O)c2ccccc2I)cccc1C(=O)O 1159959 MSMVVQVCQHJTOH-UHFFFAOYSA-N 440.262 3.425 0 50 IGAA CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)NCCc1ccccc1 2851153 LAIRITDBPZETLX-UHFFFAOYSA-N 437.569 3.239 0 50 IGAA COc1ccc(CNCc2ccc(-n3cccn3)cc2)c(OC[C@H](O)CN2CCCC2)c1 11662636 XKBHMMOGXJBETQ-HSZRJFAPSA-N 436.556 3.006 0 50 IGAA COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 11874392 WEXPOYQYEVOEPK-FQEVSTJZSA-N 436.556 3.071 0 50 IGAA C[C@@H]1C[C@@H](C(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)NC(=S)N1 12128859 ONZSXPUXXLQPRL-DFHBCGBQSA-N 449.498 3.417 0 50 IGAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)c1 14995823 ICOOLNAWAZNTLY-SFHVURJKSA-N 438.450 3.071 0 50 IGAA O=C1CC[C@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)CN1CCCc1ccccc1 19835748 AUMYETGJWKSCOX-QHCPKHFHSA-N 437.559 3.341 0 50 IGAA Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598163 ZDJFGVKHEDGCRY-UHFFFAOYSA-N 431.525 3.057 0 50 IGAA COc1cccc(CCC(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778650 ANOMOYXUXWJFND-LJQANCHMSA-N 444.495 3.410 0 50 IGAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCc2ccc3[nH]ccc3c2)C1=O 225686677 JENVFXGBGHVYBB-SANMLTNESA-N 440.503 3.447 0 50 IGAA Cc1ccc(-c2nc(CC(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)cs2)o1 225762190 ZIOXAWGUEPRUNK-INIZCTEOSA-N 425.510 3.050 0 50 IGAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(OC)c(OC)c3)C2)c1 225848665 QPZFACWSGPISAY-GOSISDBHSA-N 442.468 3.264 0 50 IGAA COc1ccc2nc(N3CCOCC3)c([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)cc2c1 253395886 AQJVCCLHOTWHQI-MRXNPFEDSA-N 434.448 3.250 0 50 IGAA biogenic COc1ccc(-c2cc3n(n2)[C@H](NC2CCN(Cc4ccccc4)CC2)CNC3=O)cc1 263615797 FGQRCEYGLNMCOX-DEOSSOPVSA-N 431.540 3.055 0 50 IGAA O=C(Nc1ccn(-c2ccncc2)n1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 463816081 HRUWDWQPXBOOGJ-LJQANCHMSA-N 432.311 3.586 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1 776204146 QLYDSSSHQHVFIO-ZTFGCOKTSA-N 427.636 3.371 0 50 IGAA C[C@@H](NS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1)c1ccccc1-n1cccn1 822273956 DOURQPZVECKUQT-CYBMUJFWSA-N 425.470 3.432 0 50 IGAA CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 780407 QIFWXQDBGJZHBD-UHFFFAOYSA-N 448.541 3.142 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1OC 806902 LPJASLHVBKKBCM-UHFFFAOYSA-N 436.574 3.111 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccco1 810457 SESTYHVJVQOCFW-UHFFFAOYSA-N 434.901 3.107 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(Cl)cc2)cc1 916279 YENBOVIRLAAGJE-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1 917576 RIOJWGIVBKUULQ-UHFFFAOYSA-N 432.889 3.257 0 50 IGAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 2885118 SFLCBRYSMUNNKK-UHFFFAOYSA-N 435.914 3.374 0 50 IGAA CCN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 2886273 PJOIWWONTQPJDF-UHFFFAOYSA-N 425.348 3.085 0 50 IGAA CN(Cc1cscn1)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccsc3)nc2C1 12037634 YJLCZDMCWYBZJN-NSHDSACASA-N 432.552 3.317 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N[C@H](C)c3nc(C)cs3)CCC(=O)N2)cc1OC 12097187 CRMJBPOYZJCCBV-IVZQSRNASA-N 431.558 3.318 0 50 IGAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cccnc3OC)C2)c(OC)c1 12582674 CYDKYDFRMZHYMV-KRWDZBQOSA-N 441.528 3.056 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 12705562 AONYOLXNGZFVRS-HSZRJFAPSA-N 447.553 3.281 0 50 IGAA COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C[C@H]3CC=CCC3)CC2)C1=O 14881544 ZBSRJTPZSUHZIK-CPJSRVTESA-N 443.563 3.374 0 50 IGAA Cc1ccn(CCC(=O)N(Cc2cc3ccc(F)cc3nc2N2CCOCC2)C2CC2)n1 14967040 AXBMVBDRJUVSOL-UHFFFAOYSA-N 437.519 3.297 0 50 IGAA O=C(NCCCc1ccccc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32072869 GQAFAPKBJIDAAD-INIZCTEOSA-N 432.450 3.109 0 50 IGAA O=C(c1ccccc1OC(F)(F)F)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779716 AJOUJIPNKXTKEX-UHFFFAOYSA-N 432.402 3.479 0 50 IGAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cc1 169781365 HRAOBKDGOFXBQF-LLVKDONJSA-N 429.274 3.326 0 50 IGAA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccccc1OCC(=O)O)CC(=O)O2 253411933 PIWTYMGNMPPAFH-IBGZPJMESA-N 449.459 3.009 0 50 IGAA biogenic CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N[C@@H](c3ccccc3)c3nccn3C)C2=O)cc1 409414854 PTIAWSZOHKROTB-IRLDBZIGSA-N 445.523 3.264 0 50 IGAA COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccccc1 824732205 YHDDACLNXQRJGL-GYAHQXATSA-N 438.919 3.303 0 50 IGAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCOc3ccccc3C2)C1=O 918371882 RFDXOKFEVIUQAC-VWLOTQADSA-N 429.476 3.028 0 50 IGAA O=S(=O)(CCCF)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952893503 MYLZWQGXJBKWEL-HNNXBMFYSA-N 425.379 3.071 0 50 IGAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1 917283 DRHOZAFCAWVXSR-UHFFFAOYSA-N 432.527 3.003 0 50 IGAA O=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)c1ccccc1Cl 2863540 MORJRUUPACWJBP-SFHVURJKSA-N 425.794 3.123 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 2938440 NOXMIGIKIIGSLQ-UHFFFAOYSA-N 434.867 3.484 0 50 IGAA COc1cc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc(OC)c1 12100039 FTRNQFGMMUEVCY-RUZDIDTESA-N 437.540 3.127 0 50 IGAA COc1cc(C)nc(NC(=O)Nc2sc(NS(=O)(=O)c3ccccc3)nc2C)n1 16945191 DAPPMETWALFJJO-UHFFFAOYSA-N 434.503 3.003 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(F)c(F)c1 169757914 UYCZEPSUMKTCSQ-SFHVURJKSA-N 433.798 3.134 0 50 IGAA O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccccc2)c1-n1cccc1 206648424 KYPXHMLRPMMURD-UHFFFAOYSA-N 426.524 3.452 0 50 IGAA C[C@@](O)(CN1CCc2c(Br)ccc(F)c2C1)c1ccc(S(C)(=O)=O)cc1 755296173 NOMKJJYOYPVMBA-LJQANCHMSA-N 442.350 3.258 0 50 IGAA CC[C@H](NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1OC 1471279061 DBAUGUHZXZOFMT-ZAAXVRCTSA-N 427.419 3.082 0 50 IGAA O=C(C(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1)N1CCC[C@@H](c2cc(O)cc(F)c2)C1 2325816949 WLWNNCJPFYWXRK-HZPDHXFCSA-N 444.478 3.488 0 50 IGAA Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2nncn2N)cc1 2210135 MNFJMJDTRVJGID-VQTJNVASSA-N 437.550 3.320 0 50 IGAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)ccc1O 4143871 MJZCHUYGOTXWQZ-MPGHIAIKSA-N 444.793 3.158 0 50 IGAA Cc1csc(CNC(=O)c2cccc(OC3CCN(C4CCN(C)CC4)CC3)c2)n1 11816312 XLNYSJIBEVAZBR-UHFFFAOYSA-N 428.602 3.319 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)CCC2CCOCC2)c1 14973955 AWLLOVQEXFTMGJ-UHFFFAOYSA-N 444.572 3.364 0 50 IGAA COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c1OC 65364263 OZKDDCWAMSMHJN-MRXNPFEDSA-N 434.500 3.062 0 50 IGAA CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65364335 FMGPQIMMDPIHNC-QGZVFWFLSA-N 436.541 3.003 0 50 IGAA Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 225642037 XKISZTWRCUFEMA-HSZRJFAPSA-N 444.601 3.209 0 50 IGAA Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239047001 GBTWCVJQXKPJCD-KNAFTOQISA-N 449.732 3.403 0 50 IGAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H](NC(=O)c4cc5ccccc5o4)C3)ccc2N1C 446621790 XPKIKBMPSFJIRB-MAUKXSAKSA-N 446.507 3.244 0 50 IGAA Cc1ncc(S(=O)(=O)NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)s1 2325744658 CIMJHLUSTPYMCX-KRWDZBQOSA-N 437.587 3.009 0 50 IGAA O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1)Nc1ccc(F)cc1 2325874510 PGOJZXKODWNXDX-PXNSSMCTSA-N 440.523 3.043 0 50 IGAA COc1ccc(CN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccccc2Cl)cc1OC 1421169 YIXFDJHSFDKNOZ-MRXNPFEDSA-N 447.944 3.314 0 50 IGAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cc3c(cc2Br)OCO3)CC(=O)N1 8671486 WTSUEUPXYJYEDM-ZDUSSCGKSA-N 440.290 3.024 0 50 IGAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)/C=C/c2ccccn2)C3)cc1 12047663 SABYJYIKUURITR-YPNIWSFNSA-N 434.517 3.285 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2c(C)nc3ncccn23)C1 12305826 BYVWTRAEJXQCDM-HSZRJFAPSA-N 442.466 3.344 0 50 IGAA COCC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 14882383 HLEKJPLVFZBBRP-BKMJKUGQSA-N 449.551 3.086 0 50 IGAA O=C(CSc1nc(O)c2cc(I)ccc2n1)NC1CCCCC1 16393742 CVRSPONVOMONLB-UHFFFAOYSA-N 443.310 3.481 0 50 IGAA CCc1c(C)sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)NCc1cccnc1 239174587 QGTZLUDNVXNPKI-UOVPBQLFSA-N 439.537 3.405 0 50 IGAA O=c1c(=Cc2ccc(I)cc2)sc2nc(-c3cccs3)nn12 252670905 MAAZZFUHJBFKIE-UHFFFAOYSA-N 437.287 3.032 0 50 IGAA Cc1nnc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)n1N 253392903 HLBBCGFTHPEAPI-HXJZBFLFSA-N 438.513 3.402 0 50 IGAA CCCCOc1ccc(-c2nc3sc(=Cc4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 254296647 JGXVNCFCVBSVGV-UHFFFAOYSA-N 435.505 3.331 0 50 IGAA C[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1cccc(C(F)(F)F)c1 302732748 XJGABYBRPGVELZ-CYBMUJFWSA-N 427.448 3.144 0 50 IGAA O=C(NC1CCC2(CCOCC2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 438473501 DVAFBDBXKWXOIS-KRWDZBQOSA-N 426.604 3.147 0 50 IGAA Cn1ccc(N2CCC[C@@H](NC(=O)c3cc(-n4cccc4)cc(C(F)(F)F)c3)C2=O)n1 1875320594 GORIDXRQECBIGS-QGZVFWFLSA-N 431.418 3.155 0 50 IGAA CC1(C)CC(Nc2ncc(Br)cc2S(=O)(=O)NC[C@@H](CO)C(C)(C)C)C1 1875350369 JTHJPSJVEYOSLJ-LBPRGKRZSA-N 448.427 3.378 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1Cl 814605 MQNLCJZCNKGHCR-UHFFFAOYSA-N 448.972 3.334 0 50 IGAA O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCOCC1 1074542 NEBDWIASWLUEOY-UHFFFAOYSA-N 429.325 3.048 0 50 IGAA C[C@@H](C(=O)OCC(=O)n1c2c(c3ccccc31)CCCC2)N1C(=O)c2ccccc2C1=O 1145944 PQWVBLIIEZIHDS-HNNXBMFYSA-N 430.460 3.388 0 50 IGAA Cc1c(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(=O)n(-c2ccccc2)n1C 8916561 FMGOSHVFQNNSGM-UHFFFAOYSA-N 445.500 3.497 0 50 IGAA Cc1nn(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)c(=O)c2ccccc12 12200656 NRSGCEDKJLNYDX-HXUWFJFHSA-N 431.471 3.224 0 50 IGAA O=C(CC1CCCC1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 12243494 FRAHZGGFWZMWFN-UHFFFAOYSA-N 432.524 3.107 0 50 IGAA O=C1NC(=O)[C@](Cc2ccccc2)(C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)N1 12278419 XCMGUMLJNZSVBZ-VWLOTQADSA-N 444.491 3.015 0 50 IGAA O=S1(=O)CC[C@H](CNCc2cc3cc4c(cc3nc2OCc2cccnc2)CCC4)C1 15002874 GOYHXQLREPLUNS-GOSISDBHSA-N 437.565 3.222 0 50 IGAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCc2ccccc2C1 16487863 XWJQBXGVJLKSSK-UHFFFAOYSA-N 448.972 3.478 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 19911952 VNEMGMWMFOFQMF-OBHPCNEJSA-N 430.938 3.123 0 50 IGAA CCN1CCN(C[C@H](O)COc2ccc(CNC3CCCCCCC3)cc2OC)CC1 20204890 PDBNZAQYABGRLN-QHCPKHFHSA-N 433.637 3.275 0 50 IGAA Nc1nn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c2ccc(F)cc12 71760081 AMBNNBJNMDVZQM-UHFFFAOYSA-N 432.477 3.010 0 50 IGAA O=C(CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1 170601232 JUVODKXCGAKBJQ-HNNXBMFYSA-N 445.235 3.126 0 50 IGAA COc1ccc(C(=O)OC[C@H]2CCC(C)(C)O2)cc1S(=O)(=O)N1CCCCCC1 225393329 ISQODXOPOIWDIX-QGZVFWFLSA-N 425.547 3.374 0 50 IGAA COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc2ccccc2c(=O)c1O 253400870 FEMRQYKBFMFDSV-HNNXBMFYSA-N 442.420 3.136 0 50 IGAA biogenic C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1 467430197 PCGYWCZXTLYSFK-UZLBHIALSA-N 446.393 3.398 0 50 IGAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)ccc1O 641461 IAFGHSJJAGUNAI-HXUWFJFHSA-N 443.525 3.240 0 50 IGAA Cc1cc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)ccc1Br 1066151 DALFIDBSZUNDDT-UHFFFAOYSA-N 437.359 3.108 0 50 IGAA COc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccccc2C(F)(F)F)CC(=O)N(C)C1=O 11880861 BMLDPBCGLUWXQJ-JOCHJYFZSA-N 448.441 3.389 0 50 IGAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)Cc2c(C)noc2C)C1 12057334 BRJUXEPPGABYSP-OAQYLSRUSA-N 442.604 3.145 0 50 IGAA COc1cccc(C[C@@]2(C3CCN(Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1 12211401 IYSPNCWPZTYDII-DEOSSOPVSA-N 443.494 3.349 0 50 IGAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 12380674 WHWIFFFHCBTEIJ-OKILXGFUSA-N 425.312 3.461 0 50 IGAA O=C(Cc1cscn1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14534713 LFJDMWWYWVDYPA-OAQYLSRUSA-N 427.570 3.275 0 50 IGAA COc1cccc(-n2c(CNC(=O)c3sccc3C)nnc2SCCN(C)C)c1 15004082 HGOCWNOTUCLFKX-UHFFFAOYSA-N 431.587 3.230 0 50 IGAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 17100717 XFICCAXKMBGRPF-SFHVURJKSA-N 436.599 3.204 0 50 IGAA Cc1ccc(-c2nnc(N3CCN(C(=O)CSc4nnc[nH]4)CC3)c3ccccc23)cc1 18179484 JETHZSGIMUZAHA-UHFFFAOYSA-N 445.552 3.164 0 50 IGAA Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 23129779 QSXAODLDLZPLLO-MRXNPFEDSA-N 425.483 3.414 0 50 IGAA Cc1cccc(NC(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1C 169757897 SIMNRZLQSOYFSB-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA COc1ccc(-c2noc(CCCC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)n2)cc1OC 230207740 GEMVQONVDFUQKH-MOPGFXCFSA-N 442.560 3.457 0 50 IGAA biogenic C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 252444472 KLQJNVLHZBGAAF-JKIFEVAISA-N 429.380 3.107 0 50 IGAA COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C(=O)O)c1OC 254834138 SCSNQJFDVSWQOV-UHFFFAOYSA-N 427.240 3.238 0 50 IGAA Cc1cccc(-c2noc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)n2)c1 263616101 HATOWSZTPAFWJY-UHFFFAOYSA-N 431.427 3.201 0 50 IGAA CN1CC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@@H](c2cnn(C)c2)C1 849549730 WELWUYSDCRYVKJ-RBUKOAKNSA-N 432.450 3.299 0 50 IGAA O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1078652 BUHNQBHMLNBOPJ-INIZCTEOSA-N 437.359 3.166 0 50 IGAA Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3I)nc2n1 1429265 JGOHUGURRVIBIG-UHFFFAOYSA-N 439.282 3.077 0 50 IGAA CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nnnn2-c2ccccc2)nc1C 2783610 UUSLCGUVVQEILV-ZDUSSCGKSA-N 432.531 3.113 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 4064554 UUHWNGLEKGNGRU-OAHLLOKOSA-N 443.319 3.102 0 50 IGAA CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 10381787 NZFJGIVWGJNVFO-UHFFFAOYSA-N 432.980 3.340 0 50 IGAA COc1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)c2ccccc2n1 12577975 ROFPELABMAXJCJ-OAHLLOKOSA-N 445.566 3.136 0 50 IGAA O=C1C[C@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(I)cc1 13370775 DQBAFXDCKFSDKY-HNNXBMFYSA-N 440.668 3.366 0 50 IGAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1nccs1)CC2 14754719 XGIZURGJFVJSNZ-UHFFFAOYSA-N 435.553 3.363 0 50 IGAA COc1ccccc1CCNC(=O)Cc1ccc(N2CCC(NCc3ccon3)CC2)cc1 14984664 DWQFATUHDLUGKA-UHFFFAOYSA-N 448.567 3.343 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)n1CCOC 15062447 COSDOZCGKXVFAQ-LJQANCHMSA-N 435.590 3.016 0 50 IGAA Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 100745338 QWMQBMFYQUXOQU-QRVBRYPASA-N 426.314 3.293 0 50 IGAA CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(CC)[C@H]2CCCCCN2C3=O)CC1 169765988 BPRUSXQYNMMJKZ-OAQYLSRUSA-N 442.560 3.220 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)ccc4F)ccn3n2)cc1 169776346 QJJURQKZDBVBJE-UHFFFAOYSA-N 438.434 3.270 0 50 IGAA COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)c2)c(OC)c1 239403298 RSKYRWYPOSHAMP-SDGNCJPHSA-N 436.464 3.092 0 50 IGAA Cn1c([C@@H]2CCCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nc2ccccc21 253411327 OMJSLOZZELXNAK-WBKMXMRLSA-N 441.601 3.353 0 50 IGAA biogenic CCCc1cc(C(=O)N2CCC([C@]3(CCC)NC(=O)N(Cc4ccco4)C3=O)CC2)no1 299771381 VZOZVTCLPGYTNF-QHCPKHFHSA-N 442.516 3.363 0 50 IGAA Cc1c(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)nnn1-c1cccc2ncccc12 465458184 GWKKYIFYEHZAPD-UHFFFAOYSA-N 449.478 3.424 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)C1=O 768308890 GLFLSFLCIYPSPA-CXTNQITHSA-N 439.515 3.309 0 50 IGAA COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCCC1 1136003 KJDDIAPDRRRIIM-UHFFFAOYSA-N 439.331 3.495 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)c1cc(F)ccc1F 12164703 ISFCASNCMLIHMS-IBGZPJMESA-N 428.479 3.478 0 50 IGAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 12193193 GPZSWPHXEBNEGI-NSHDSACASA-N 443.472 3.246 0 50 IGAA COc1ccc(CCNC(=O)[C@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1OC 229532825 BUOLAPDMVSAYCP-KSFYIVLOSA-N 432.948 3.478 0 50 IGAA Cc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239308801 GZFWBGIJYFEBSI-PAUSBUDFSA-N 429.314 3.139 0 50 IGAA CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1C 241965690 UVAAKZMXNHDAKM-JOCHJYFZSA-N 437.525 3.250 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21 253398340 CBHAAIFAQOMMAF-VWNVYAMZSA-N 442.585 3.396 0 50 IGAA biogenic C[C@]1(C2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)NC(=O)NC1=O 747992885 MUVFIYAXXXSCSU-RUZDIDTESA-N 428.492 3.352 0 50 IGAA CCCc1nc(C)c(CNC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)s1 823015163 IISIUTDOXXCWCG-MRXNPFEDSA-N 430.574 3.010 0 50 IGAA O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)N1CCc2ccccc2C1 9817554 PMKOFQXOIPTWLZ-UHFFFAOYSA-N 431.514 3.210 0 50 IGAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)C1 11843384 HSUNOAJMJBRHFC-QGZVFWFLSA-N 427.497 3.385 0 50 IGAA O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCN(Cc3cccn3-c3ccccn3)CC2)N1 11995665 HYAYKRIOSZILNO-RUZDIDTESA-N 447.514 3.044 0 50 IGAA O=C(Cn1cc(I)cn1)Nc1c(F)cc(F)cc1Br 12428284 URINCUCLDBZLLM-UHFFFAOYSA-N 442.001 3.167 0 50 IGAA COc1ccc(CNCCCn2cccn2)cc1OC[C@H](O)CN1CCCCCCC1 12441965 ZQSJUXNARQDVDX-JOCHJYFZSA-N 430.593 3.077 0 50 IGAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCc3cccs3)cc2Cl)CC1 12748942 NYBZACVARGHVSM-UHFFFAOYSA-N 428.963 3.134 0 50 IGAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCCN1CCCCC1 19800095 JDGAUWPRIUDXDP-UHFFFAOYSA-N 425.602 3.286 0 50 IGAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Cc2cccc(N3CCOCC3)c2)C1 170607992 WMXDOFQYYYIDHB-LJQANCHMSA-N 429.948 3.123 0 50 IGAA COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn2cccnc2n1 241720922 QTJYAMVLFRLSFT-SFHVURJKSA-N 437.500 3.172 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@@H](O)[C@H](CO)C3)c12 1469086138 XYJVBETVQQUSNF-SUMWQHHRSA-N 435.402 3.032 0 50 IGAA Cn1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)NCCCCNc2ccccn2)cn1 1875311779 ABPWIBSLRJFFOP-XZOQPEGZSA-N 432.572 3.039 0 50 IGAA Nc1ncc(C(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)cc1Cl 2325725106 AGHYALBHDIQGRO-HKUYNNGSSA-N 428.920 3.484 0 50 IGAA O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 1114557 ABROUZSFCHZWIT-SFHVURJKSA-N 447.988 3.090 0 50 IGAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1C 1124293 UBZDBWHZIHRHLO-UHFFFAOYSA-N 429.432 3.225 0 50 IGAA O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccc2)CC1 1139080 IJDFIKBJJVKOOF-UHFFFAOYSA-N 447.988 3.477 0 50 IGAA COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC(C)(C)C 2195187 BCQWBLMJANEUAM-UHFFFAOYSA-N 425.514 3.338 0 50 IGAA COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2 2466059 WAEKOGFNYIJJNL-UHFFFAOYSA-N 430.464 3.499 0 50 IGAA Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 8915274 DREFQHSVTNTKNV-SFHVURJKSA-N 425.506 3.239 0 50 IGAA CS(=O)(=O)c1ncc(CN2CCC(O)(c3ccccc3)CC2)n1CC1CCCCC1 12316733 IUACCLRLCMCOBB-UHFFFAOYSA-N 431.602 3.351 0 50 IGAA COc1ccc(CNCc2cc(C)n(C)n2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12586983 CRTFSFPTRVTZAL-QFIPXVFZSA-N 430.593 3.033 0 50 IGAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)c3ccsc3)CC2)c(Cl)c1 12592730 SSNHWUNEOOBBRZ-UHFFFAOYSA-N 435.977 3.377 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2csc(C(C)=O)c2)CC1 12595476 LNDGJOMBSPGGSF-UHFFFAOYSA-N 446.569 3.379 0 50 IGAA COc1cc(NC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1 14541897 FJCHWACXCMLBRF-UHFFFAOYSA-N 433.530 3.171 0 50 IGAA Cc1c(C(=O)NCC2CCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 14886758 OUZLXABHKLDHQO-HNNXBMFYSA-N 436.603 3.156 0 50 IGAA COCc1c(C(=O)NCc2cccc(C)n2)cnn1-c1ncc(C)c(-c2cccs2)n1 15069189 IJASKVCEJRBYTC-UHFFFAOYSA-N 434.525 3.479 0 50 IGAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16652480 UDFZNMKZOJCFHL-UHFFFAOYSA-N 442.368 3.247 0 50 IGAA CC(=O)N1CCN(C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)CC1 23339960 IDKCVCJOQSBNKL-FQEVSTJZSA-N 434.584 3.311 0 50 IGAA Cc1cc(Cc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)s2)c(=O)[nH]n1 31813473 HAVWJWZKHRKEBP-UHFFFAOYSA-N 443.594 3.374 0 50 IGAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 240551684 GVJWQFABZQQVIR-UEXGIBASSA-N 438.524 3.425 0 50 IGAA Cc1ccc(CN(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@H]2CCc3ccccc32)cc1 241316951 LWJPZEISRBKOSB-GMAHTHKFSA-N 426.582 3.130 0 50 IGAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 263588699 XJPWPPNBGMAUGL-IRXDYDNUSA-N 440.887 3.419 0 50 IGAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263618478 TZVJDXRVFCNEBV-OAQYLSRUSA-N 449.486 3.180 0 50 IGAA CCOC(=O)c1cnn2ccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc12 1439647502 GGRQOBLOOHUKOM-UHFFFAOYSA-N 448.435 3.374 0 50 IGAA CCn1cc(Br)c(CC(=O)N[C@@H](C(=O)O)c2cccc(-c3ccncc3)c2)n1 2325875717 AGCPNCPDRFVRLO-LJQANCHMSA-N 443.301 3.212 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N(CC)CC)ccc1-2 626016 YXLYTUMDSJOJRJ-UHFFFAOYSA-N 436.599 3.319 0 50 IGAA COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC 2024152 QTLBIWUIRSKSOK-UHFFFAOYSA-N 425.224 3.144 0 50 IGAA COc1ccc(CCNCc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)cc1OC 8437891 XAGPFYILEYUDTF-UHFFFAOYSA-N 442.556 3.436 0 50 IGAA O=C(/C=C/c1ccccc1F)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 11812858 TWKYTETVHOCAOT-SHBDEGQCSA-N 448.542 3.211 0 50 IGAA C[C@H]1CN(CCC(=O)N2CCN(Cc3cccnc3)CC2)Cc2cc(Cl)ccc2O1 11880657 ILHPIDLGYNNOLD-SFHVURJKSA-N 428.964 3.052 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@]2(c3ccccc3F)CC(=O)N(CCOC)C2=O)cc1 12036240 RIQXLCXDWNUVMM-RUZDIDTESA-N 440.515 3.080 0 50 IGAA O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1Cc1ccccc1 14752994 IXCVPJQUXKVDJL-UHFFFAOYSA-N 441.535 3.476 0 50 IGAA CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 15013199 LPZOUZDVGAMPLP-MHWRWJLKSA-N 430.844 3.388 0 50 IGAA COc1ccc(Cl)cc1CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1 22752336 BHNYHZMEDVJYLQ-UHFFFAOYSA-N 431.949 3.110 0 50 IGAA Cc1onc(OC(F)F)c1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 239654242 BNARIWGGHDKBPD-UHFFFAOYSA-N 434.376 3.214 0 50 IGAA CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)CC2 483324143 KXYLVVPCFKXFGP-UHFFFAOYSA-N 436.459 3.362 0 50 IGAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NC[C@H]2CCCN(c3ncccn3)C2)s1 1506396738 FUUPSNAOTMPXGO-OAHLLOKOSA-N 433.559 3.005 0 50 IGAA CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(OC)cc1)c1ccc2cccnc2c1O)C(N)=O 1848443346 JMHSLWRPAFRVMB-GNSUPJDDSA-N 435.524 3.487 0 50 IGAA Cc1csc(C[C@H](C)n2cc(C3(F)CN(C(=O)[C@H]4CC5(CCCC5)CO4)C3)nn2)n1 1875338306 SNDNLIKZLPFXOY-JKSUJKDBSA-N 433.553 3.203 0 50 IGAA COc1ccc(Cn2nnc(-c3nc(Cn4cncn4)nn3[C@H]3CCC[C@H](C)C3)c2C)cc1 1875349509 ZXUBUBISLHYQCJ-LPHOPBHVSA-N 447.547 3.293 0 50 IGAA Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccn1 1049746 XYBOFGWFRFBZTC-UHFFFAOYSA-N 432.509 3.364 0 50 IGAA O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCOCC1 1157751 ZYUBIZGJZCDTLF-UHFFFAOYSA-N 443.352 3.043 0 50 IGAA O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)N1CCN(c2ccccc2)CC1 8396058 ZDWGJAUWRVUSQG-XMHGGMMESA-N 425.485 3.211 0 50 IGAA CCc1nn(CC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c(=O)c2cc3sc(C)cc3n12 9848624 GMWVIRPICOOFSA-IYBDPMFKSA-N 443.617 3.066 0 50 IGAA CCN1C(=O)C[C@@](CC(=O)N(CC2CCC2)C[C@H]2CCCO2)(c2ccccc2C)C1=O 12056985 IUTKRWKAYUKISS-NLFFAJNJSA-N 426.557 3.209 0 50 IGAA COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 14750914 OPYQXJXIRJUICO-IBGZPJMESA-N 431.577 3.027 0 50 IGAA CC(C)NC(=O)[C@@H]1C[C@@H](NC2CCN(C)CC2)CN1CC(c1ccccc1)c1ccccc1 20149099 GOZUSDIQTVBLEC-VPUSJEBWSA-N 448.655 3.470 0 50 IGAA CC(=O)N1CCN(C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 23339958 IDKCVCJOQSBNKL-HXUWFJFHSA-N 434.584 3.311 0 50 IGAA CN(C)c1cccc(C(=O)N2CCC3(CC2)NC(c2ccc(Br)cc2)=NO3)c1 169755057 MPBXWVBZYJLJER-UHFFFAOYSA-N 443.345 3.429 0 50 IGAA CCOC(=O)[C@H](NC(=O)c1cccc(C(=O)OC)c1)c1c(C)nn(-c2ccccc2)c1C 225508278 UGSXGDJRWATOPP-OAQYLSRUSA-N 435.480 3.310 0 50 IGAA O=C1CN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CCN1 229421083 PSUKFZZVQIEBFH-HFUGIVPFSA-N 428.536 3.241 0 50 IGAA COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(OC)ccc(OC)c12 252495826 PCOMADIFHYJITB-HYEPYWIQSA-N 447.531 3.335 0 50 IGAA CN(Cc1nccn1C)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O 299766957 FIZMVNPMBSJGPE-QHCPKHFHSA-N 442.947 3.062 0 50 IGAA O=C1C[C@H](C(=O)N2CCC[C@H]3CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C[C@H]32)c2ccccc21 476267075 RVSNHONNBGIYEA-AZIXLERZSA-N 442.515 3.176 0 50 IGAA COc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)c1ccc2c(c1)-c1ccccc1C2 916765272 YGYDBPGKIAGBTG-UHFFFAOYSA-N 436.489 3.344 0 50 IGAA CCOCC(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)NCCc1cccs1)C2 1857711217 OMAQAHYIKKITBU-XZDHIHRUSA-N 426.582 3.436 0 50 IGAA O=C(NS(=O)(=O)CCc1cccnc1Cl)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819357 BYUCBHWKMSSRPU-LSDHHAIUSA-N 443.750 3.290 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1Cl 622898 OIQCDVGCXKYFCW-MUMAZLPKSA-N 428.897 3.045 0 50 IGAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCCC1 778638 BUVNRHKHWRREEH-UHFFFAOYSA-N 448.516 3.241 0 50 IGAA Cn1c(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21 1211538 AGBKCOAATCRWNI-UHFFFAOYSA-N 449.470 3.111 0 50 IGAA aggregator Cc1nn(Cc2nnc(S)n2-c2cnn(Cc3ccccc3)c2)c(C)c1Br 2808774 UDRAYIPUOLOHIR-UHFFFAOYSA-N 444.362 3.425 0 50 IGAA Cc1cccn2c(CN(C)Cc3nccn3C)c(C(=O)N(C)CCc3ccccc3)nc12 11662988 WCBPBKLJLLXQHK-UHFFFAOYSA-N 430.556 3.323 0 50 IGAA Cc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccccc3)C2=O)n[nH]1 11789993 YNDJTCIRYWCHFU-SANMLTNESA-N 444.535 3.272 0 50 IGAA CN(C)S(=O)(=O)N1CCC(n2c([C@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1 11911528 DEPKGRHNGIWSTJ-QGZVFWFLSA-N 446.495 3.350 0 50 IGAA CN(Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnsn3)C2)cc1)Cc1ccon1 12041429 UXEHPEJPNULTSU-QGZVFWFLSA-N 427.530 3.089 0 50 IGAA CCn1cc(CNCc2ccc(OC[C@@H](O)CN(C)C3CCCCC3)c(OC)c2)cn1 12056861 FYXHLLARMYNRDY-QFIPXVFZSA-N 430.593 3.206 0 50 IGAA COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)CCc2scnc2C)C3)nc1 12182653 IBMXZSJROWVZJZ-KRWDZBQOSA-N 437.521 3.353 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3cccc(F)c3)cc2)CC1 12191930 VYHVPBCDVVKFKS-UHFFFAOYSA-N 428.504 3.205 0 50 IGAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)Oc3cccc4ccccc34)C[C@H]12 14539866 IHMPLCBILYJFDN-LEWJYISDSA-N 435.524 3.320 0 50 IGAA CC(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 15721576 FYRZQQXVIHKJKQ-QHCPKHFHSA-N 430.504 3.464 0 50 IGAA in-vitro COc1ccc(CN2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)cc1C 19838081 MJGLBCBRVLNZOX-DEOSSOPVSA-N 434.584 3.473 0 50 IGAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 20272024 HJNHTWOPLWATFR-VWLOTQADSA-N 429.568 3.358 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@@H]1CCCN12 136603057 QJSXYMDBXXURBE-MSZDEVHKSA-N 429.520 3.149 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(CC)c2)C2=C1C(=O)OC2 169758146 VCPWDVDGBIDFJE-JOCHJYFZSA-N 435.480 3.164 0 50 IGAA CC[C@H](C)[C@H](NC(=O)C[C@H]1N=C(O)N(c2ccc(OC)cc2)C1=O)c1nc2ccccc2[nH]1 252505081 VNXLDEXLSCWKGS-ZKYUUJBMSA-N 449.511 3.494 0 50 IGAA COc1ccc(CCN2C[C@H](C(=O)N3CCCC[C@@H]3c3cccnc3)CC2=O)cc1OC 263585916 NVTKKEONNBLYQC-NHCUHLMSSA-N 437.540 3.244 0 50 IGAA biogenic O=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCN(c2ccccc2)CC1 263615293 BQOBROFWRHRMFV-UHFFFAOYSA-N 444.583 3.173 0 50 IGAA O=C1C[C@H](C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2)C2(CCCCC2)O1 299763032 ZBVOYMOSGHBQKZ-RTWAWAEBSA-N 438.568 3.240 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N(Cc3c(C)nn(C)c3C)C(C)C)CCC(=O)N2)cc1 299773183 CXYPRXCYQTZBCQ-VWLOTQADSA-N 440.588 3.454 0 50 IGAA COC(=O)C[C@H](c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O)c1ccnc2ccccc12 888088864 VFWVBBKEGNXRIM-IBGZPJMESA-N 432.480 3.071 0 50 IGAA NC(=O)c1ccc2[nH]c(CN3CC[C@@](O)(c4ccccc4)[C@H]4CCCC[C@H]43)cc(=O)c2c1 1506398629 OGFFVNYTKICNRR-POGFHVCPSA-N 431.536 3.279 0 50 IGAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)cs2)n1 1704280181 QINOUPMCKHSNDJ-KGLIPLIRSA-N 437.447 3.039 0 50 IGAA OC[C@]12CN(Cc3nc(-c4ccccc4)no3)C[C@H]1CN(Cc1ccc(Cl)s1)C2 1772806828 KMBYYBKRTHCYEM-IERDGZPVSA-N 430.961 3.378 0 50 IGAA CCCOc1nc(C(=O)NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc2ccccc12 1875343419 IHHSCZAGWYIPGP-CQSZACIVSA-N 426.494 3.466 0 50 IGAA Cc1c(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)nnn1Cc1ccc2ncccc2c1 2325744764 ZRFDYCQNZPKNEF-NRFANRHFSA-N 426.524 3.316 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1C 647136 JDZXOFUYCFMXGR-INIZCTEOSA-N 425.279 3.347 0 50 IGAA Cc1cc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)ccc1Br 12138890 UMMZCTCBVZIMQZ-UHFFFAOYSA-N 433.302 3.247 0 50 IGAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(F)c(F)c2)CCO3)CC1 12456083 NBTXKXYVUXLYLB-UHFFFAOYSA-N 444.478 3.385 0 50 IGAA Cc1ccsc1C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1 15067866 HAZZFPANCUZRHN-QHCPKHFHSA-N 448.633 3.197 0 50 IGAA CCOc1ccc(CN[C@H]2C[C@@H](C(=O)NCCOC)N(Cc3cccc(Cl)c3)C2)cc1 23359438 UKALRGOEMSONIO-GMAHTHKFSA-N 445.991 3.234 0 50 IGAA CCNc1cc(C)nc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)n1 65362975 JOXFDLPQPXMGAI-UHFFFAOYSA-N 434.928 3.242 0 50 IGAA O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CN(Cc2ccccc2)CCCO1 170613555 KFTCMZZYJZRMTR-IBGZPJMESA-N 426.542 3.138 0 50 IGAA O=C(N[C@H]1CCOc2c(Br)cccc21)c1cccc(C(=O)N2CCCC2)n1 225709881 ZORNVUZDZUVLEB-HNNXBMFYSA-N 430.302 3.334 0 50 IGAA O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCC(c2cc3ccccc3[nH]2)CC1 776059997 UEXYENSNIXPPIR-QGZVFWFLSA-N 427.530 3.136 0 50 IGAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CC[C@H](c4nccc(O)n4)CC3)C2)c1 1456938999 SXOKCABUFOSHJQ-SFHLNBCPSA-N 436.556 3.494 0 50 IGAA CSCc1cn(CC2CCN(C(=O)c3sc(C(=O)O)c4c3CCCC4)CC2)nn1 1875354492 XWDRIDNMQICUHY-UHFFFAOYSA-N 434.587 3.332 0 50 IGAA Cc1cc(=N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)c2c[nH]c4nccc-4c2)C3)[nH]c(-c2cccnc2)n1 1875389593 UNWGVCRSYQKZOP-MAODMQOUSA-N 439.523 3.202 0 50 IGAA O=C(/C=C1/CCOc2ccccc21)NC1CC(NC(=O)/C=C2/CCOc3ccccc32)C1 2325741049 JFBSFTWBVUNSOJ-JTFWXBGUSA-N 430.504 3.482 0 50 IGAA Brc1ccccc1[C@@H]1CN(c2nnc([C@H]3COCCO3)n2CC2CC2)CCO1 2325839850 GZDXEKURNNJHKG-ZWKOTPCHSA-N 449.349 3.116 0 50 IGAA O=C(NC[C@H]1CCCN1C(=O)[C@H](O)c1cc(F)cc(F)c1)c1cc(Cl)c(Cl)[nH]1 2325849838 BWPVFBADQMYZEA-IUODEOHRSA-N 432.254 3.054 0 50 IGAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 899819 OEGCVOVRVQKRTR-UHFFFAOYSA-N 434.561 3.493 0 50 IGAA O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCCC1 1161407 DXOJHLWUIQCLDJ-UHFFFAOYSA-N 437.359 3.262 0 50 IGAA NC(=O)c1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 4241939 JHXIDHXZDZFPNT-JOCHJYFZSA-N 430.460 3.320 0 50 IGAA CN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 8828449 VJKSRJBBNMRYIG-UHFFFAOYSA-N 449.576 3.470 0 50 IGAA CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccncc1 9226261 QGNMNPGWKTZKNG-UHFFFAOYSA-N 425.514 3.498 0 50 IGAA O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(c2ccccc2F)CC1 12324198 JZGOKIADJAHLJA-UHFFFAOYSA-N 449.530 3.114 0 50 IGAA O=C(CCC1CCN(C(=O)C(=O)c2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12458983 VYLAOMUHYKVGOE-XMMPIXPASA-N 447.579 3.279 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@H]3CCc4ccccc4C3)CC2)C1=O 14540262 BSWDSKTWHRJECL-DEOSSOPVSA-N 447.579 3.489 0 50 IGAA Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1cnc(-c3ccccc3)s1)C2 14733528 AGXVSHHOEZDMPR-UHFFFAOYSA-N 444.564 3.427 0 50 IGAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(CCO)C(C)C)c3C3CC3)ncc1CC2 14996201 ZDEPJRQNXLVPPZ-UHFFFAOYSA-N 447.539 3.157 0 50 IGAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCC(CO)CC3)c2C2CC2)n1 15072943 DPEPFAJRUXVIFS-UHFFFAOYSA-N 433.512 3.060 0 50 IGAA CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 19799102 GSRLOARKDWBLJO-UHFFFAOYSA-N 433.622 3.366 0 50 IGAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCNC(=O)c1nc(-c2cccs2)no1 20352660 VHKBNOSWIFOKFJ-GFCCVEGCSA-N 434.905 3.073 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 33330712 JASFXTRWRDCRNC-VOSMRYOYSA-N 448.544 3.115 0 50 IGAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCc5ccco5)CC4)c3CO2)cc1 169758929 QOISIGFPIRPEFN-QFIPXVFZSA-N 448.523 3.225 0 50 IGAA COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 253370064 LNHUPPFBXPTIQK-IUODEOHRSA-N 436.338 3.120 0 50 IGAA O=C(c1onc2ncccc12)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857705025 OXCPRGWHRSPHDH-LJQANCHMSA-N 448.523 3.461 0 50 IGAA CC(C)[C@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)N1C(=O)c2ccccc2C1=O 715869 WAABZMWPEBPFFT-KZULUSFZSA-N 439.537 3.231 0 50 IGAA CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1)S(C)(=O)=O 1131298 CKOVPCXUBSCLBK-UHFFFAOYSA-N 437.521 3.265 0 50 IGAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1 2861073 SHVKGFJPZXCFID-AWEZNQCLSA-N 438.509 3.111 0 50 IGAA CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 6530716 GCIQCLMWEVMUSU-HXUWFJFHSA-N 445.567 3.400 0 50 IGAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1cn2ccccc2n1 11911848 VYPYWQHKVSYDCU-UHFFFAOYSA-N 433.512 3.246 0 50 IGAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1[C@H]1CCN(Cc2ccccc2)C1 12279398 SRRODPDCOZNMTK-PKTZIBPZSA-N 425.548 3.450 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2nonc2C)CC1 12301633 AEIXNNYJQKYMJT-QFIPXVFZSA-N 426.561 3.149 0 50 IGAA COc1ccccc1Cn1cc(C(=O)NCCC(C)C)c(=O)c(C(=O)N(C)C(C)C)c1 15004850 QPVBMMRKVQHUHM-UHFFFAOYSA-N 427.545 3.162 0 50 IGAA COCc1c(C(=O)N[C@@H](C)CCCC(C)(C)O)cnn1-c1nccc(-c2ccco2)n1 15007871 JAMQPJJHMWKDFL-HNNXBMFYSA-N 427.505 3.128 0 50 IGAA Cc1c(C(=O)N2CCCCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 15068060 HSZOAECDWRCRGS-OAHLLOKOSA-N 436.603 3.253 0 50 IGAA CCn1ccnc1CN(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 15077499 BXPNLHICVCJBBN-UHFFFAOYSA-N 429.590 3.156 0 50 IGAA CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 19637581 OJVTZSLFVHQINP-UHFFFAOYSA-N 442.990 3.159 0 50 IGAA CC(C)CNC(=O)c1c(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cnn1C 20607311 JHRZQBSJPNHXDN-UHFFFAOYSA-N 428.440 3.025 0 50 IGAA COc1cc(OC)c(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1Cl 72117784 ILKHFZIQRUOYDF-UHFFFAOYSA-N 446.939 3.102 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 409414554 MLYNEDMKHUBXSI-QNWVGRARSA-N 427.589 3.169 0 50 IGAA biogenic O=C(C[C@H]1CCCCCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1)c1ccccc1 467085207 LKMCKZLLZUOKAL-MRXNPFEDSA-N 441.509 3.247 0 50 IGAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 481218779 MIKWEPXLJPEXMP-FGQYTZQDSA-N 445.563 3.493 0 50 IGAA O=C([C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)N1CCO[C@@H](c2cccc(O)c2)C1 484920704 SDGLRRCSGNEEPD-MIZPHKNDSA-N 442.512 3.022 0 50 IGAA CN1CC[C@@H](C(=O)Nc2cccc3cc(Br)cnc23)[C@H](c2cnn(C)c2)C1 849592866 RZMQANYQAUYBFB-SJORKVTESA-N 428.334 3.405 0 50 IGAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1 952862120 MHTNKTAAKKICHZ-UHFFFAOYSA-N 438.509 3.275 0 50 IGAA O=C(N[C@H](C(=O)O)c1ccc(F)c(F)c1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 1875257278 XEBQGHUGEPLLEG-HNNXBMFYSA-N 426.301 3.120 0 50 IGAA O=C(NCCc1ccc(N2CCCCC2)cc1)N1CC(n2cnc3ccccc3c2=O)C1 1875335353 DWSWEFYWXSLAMB-UHFFFAOYSA-N 431.540 3.196 0 50 IGAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4c(c3)OCCO4)CC1)OCC2 2356137262 VGDXCIQUMURIBD-UHFFFAOYSA-N 425.481 3.179 0 50 IGAA C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N(c1ccccc1)S(C)(=O)=O 1119207 CTAZVJLPXHCTAV-MRXNPFEDSA-N 441.509 3.003 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 1196042 OKMVRICGQSQEIA-UHFFFAOYSA-N 438.615 3.338 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccc(Cl)cc1 11812983 ZIGVXODZVMKBJI-LJQANCHMSA-N 445.991 3.125 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N[C@@H](C)c3nc(C)cs3)CCC(=O)N2)cc1OC 12097186 CRMJBPOYZJCCBV-NYHFZMIOSA-N 431.558 3.318 0 50 IGAA COc1ccc(CNC(=O)c2cn(C3CC3)cc(C(=O)NCc3ccccc3)c2=O)cc1 12198415 VADNEYRCRXVFAE-UHFFFAOYSA-N 431.492 3.052 0 50 IGAA Cc1c(C(=O)N(CCO)C(C)C)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 12449860 ZOTYNFPOWQJAGR-UHFFFAOYSA-N 428.514 3.183 0 50 IGAA CN(CCc1ccccn1)C(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12 14883740 DUOAKRHCWDUGRY-UHFFFAOYSA-N 427.508 3.442 0 50 IGAA CCOC(=O)[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 14996548 NXECJTVYAFQRQE-CVDCTZTESA-N 432.586 3.324 0 50 IGAA CC(C)(C)OC(=O)C(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)OC(C)(C)C 15721302 JSRFPOKYPNCYJU-INIZCTEOSA-N 437.489 3.056 0 50 IGAA biogenic O=C([C@@H]1CC=CCC1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 299774743 HVMXONCYZADEJK-FYYLOGMGSA-N 439.575 3.455 0 50 IGAA O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)Nc1c[nH]nc1-c1nccs1 446386558 PBENSLMRMVPJLY-MRXNPFEDSA-N 432.937 3.382 0 50 IGAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 1875252154 VITAYNNASJQZRV-HNNXBMFYSA-N 442.994 3.077 0 50 IGAA CCOc1ccc(NC(=O)CN2CCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 2325776652 GZKCYYLKXOCYRW-UHFFFAOYSA-N 445.947 3.266 0 50 IGAA COCCCn1c(CN(C)[C@@H](C)c2nccs2)cnc1S(=O)(=O)C1CCCC1 11936181 XHQSRZGZLUKIFK-HNNXBMFYSA-N 426.608 3.285 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(Cl)c2C)cc1 14186094 DIFGTUQWUUOCQZ-KRWDZBQOSA-N 436.961 3.447 0 50 IGAA COc1cccc(-c2cc3c(n(CC4CC4)c2=O)CCN(C(=O)[C@@H]2CCCO2)C3)c1OC 20538844 MIKGSAMPBPRSJO-QFIPXVFZSA-N 438.524 3.006 0 50 IGAA CCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)CC1 20616421 AGYQQBJVEAVHRF-UHFFFAOYSA-N 439.581 3.414 0 50 IGAA CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551409 CHVZZCKLGNNONF-UHFFFAOYSA-N 432.480 3.163 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C[C@@H](C)O)c2)cc1 225745646 NPPRGNOFYOVZAG-VQIMIIECSA-N 432.542 3.262 0 50 IGAA COc1cc2cc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)n(C)c2cc1OC 409414534 LWFAJWWXBGVODC-UHFFFAOYSA-N 439.512 3.159 0 50 IGAA CC[C@]1(c2ccc(NC(=O)c3cnn(C)c3Cc3ccccc3)cc2)CCC(=O)NC1=O 446100770 QHPXSPHGOXXDQU-RUZDIDTESA-N 430.508 3.348 0 50 IGAA CC(=O)N1CCN(c2cccc(NC(=O)NC[C@@](C)(O)c3cccc(Cl)c3)c2)CC1 782082361 OTTVZYMZQBYPNS-JOCHJYFZSA-N 430.936 3.038 0 50 IGAA C=CC(=O)N1CCC(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)(c2ccccc2)CC1 1444747114 IVNHHOVFFGKDTM-QHCPKHFHSA-N 428.479 3.035 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc3ccccc3n2)C1 1857704763 FGVMUNLYSSXMRY-VIICAESSSA-N 436.600 3.064 0 50 IGAA CC(C)(CCS(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1 1875301660 OMXZBBVIJAJQKS-INIZCTEOSA-N 434.480 3.436 0 50 IGAA O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 881184 BVXSYTLHHJEBIC-KRWDZBQOSA-N 443.352 3.484 0 50 IGAA CC(C)CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)cc2C1=O 1202767 XYZBYQMEZLIHNW-UHFFFAOYSA-N 432.476 3.422 0 50 IGAA Cc1cccc(C)c1NC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCCCC1 4012942 DAVGWTXJBAHFBN-UHFFFAOYSA-N 433.508 3.357 0 50 IGAA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1OC 9410640 MGJJTHVWXMJXAY-DYVFJYSZSA-N 440.422 3.033 0 50 IGAA Cc1ccc2nc(C)cc(C(=O)N3CCC4(CC3)C[C@@H]4C(=O)NCCCn3ccnc3)c2c1 11910286 BBTUCTHOWUTKIF-JOCHJYFZSA-N 445.567 3.497 0 50 IGAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(OC)nc4OC)C3)C2)c1 12076845 GJFAGBMIHPXPFZ-DEOSSOPVSA-N 425.529 3.236 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCC[C@@H](C)C2)c1 12278919 GCDMLGWNTFBYKM-GOSISDBHSA-N 431.577 3.210 0 50 IGAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 12710165 TUQAAGQMKXLTKZ-CQSZACIVSA-N 437.452 3.389 0 50 IGAA Cc1cc(C(=O)N2CCc3c(cc(-c4cccc(Cl)c4)c(=O)n3CC3CC3)C2)nc(N)n1 14748608 ZQTDPRTYACAWEJ-UHFFFAOYSA-N 449.942 3.458 0 50 IGAA O=C(NCCCn1ccnc1)c1ccc(-c2ccsc2)nc1N1CCC[C@@H](CO)C1 19144937 SWPRJLBPERDGHL-QGZVFWFLSA-N 425.558 3.035 0 50 IGAA CCN1CC[C@@H](CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1 19301043 YDIKQEIDVUYZPY-NRFANRHFSA-N 432.634 3.082 0 50 IGAA CCN1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccc(C)cc3)cc2OC)CC1 19606684 JKMCBIGVANZNDQ-XMMPIXPASA-N 441.616 3.013 0 50 IGAA c1cc2c(cc1CN1CCN([C@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)CC1)OCO2 19770587 FJCXVTYIJPQXGJ-QHCPKHFHSA-N 435.568 3.132 0 50 IGAA O=C(O)[C@H](CCCCNC(=S)NC1CCCCC1)NC(=S)NC1CCCCC1 22239141 JZQDJYBFCLPQOD-KRWDZBQOSA-N 428.668 3.204 0 50 IGAA O=C(OCc1ccccc1)N1CCO[C@H](CS(=O)(=O)N(Cc2ccccc2)C2CC2)C1 240465921 GBJOGQAOESBYEK-QFIPXVFZSA-N 444.553 3.018 0 50 IGAA CCn1ncc2ccc(NS(=O)(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)cc21 253425909 WMAREQAPRLCFRW-IBGZPJMESA-N 428.514 3.209 0 50 IGAA O=C1N[C@@H](CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(=O)Nc2ccccc21 263587979 NSTGDDGPHCMWBV-PMACEKPBSA-N 431.496 3.147 0 50 IGAA COc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c(C)c1C 299771518 PXUMIAMPLMWPHX-UHFFFAOYSA-N 437.544 3.102 0 50 IGAA Cc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4n[nH]c(C(F)(F)F)n4)n3)cn2)cc1 474328655 KRNMSMJMCIJTCQ-UHFFFAOYSA-N 444.377 3.461 0 50 IGAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1ccc([C@H]3CCCCO3)o1)CC2 824091043 SDCMBACPSLLDTM-LJQANCHMSA-N 425.533 3.147 0 50 IGAA Cc1nn(-c2ccc(C(=O)NC[C@H]3CC(=O)N(C4CCCC4)C3)cc2)c(=O)c2ccccc12 828248263 VNWDIOQYRDBHMV-GOSISDBHSA-N 444.535 3.215 0 50 IGAA CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2cnn(CC)c2)ccc1OC 1461299984 KDPSRKKGZZFECJ-UHFFFAOYSA-N 436.578 3.245 0 50 IGAA NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)c1 1469109198 JYTZIBYGLONISN-UHFFFAOYSA-N 437.315 3.258 0 50 IGAA C[C@@]1(c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)NC(=O)NC1=O 2325822742 LRGNXQLMULJKJF-QFIPXVFZSA-N 427.888 3.078 0 50 IGAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 624944 PXQRJZNDFRAFTF-OJDUWNMDSA-N 448.556 3.003 0 50 IGAA COc1ccc(N(C[C@@H](O)Cn2cnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 895634 NFLTUNORMGOSRV-IBGZPJMESA-N 437.521 3.301 0 50 IGAA O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1Cl 1180954 YXRZRMWOBUDFAJ-UHFFFAOYSA-N 425.695 3.399 0 50 IGAA CCS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)CC1 2731069 BUTFPNQKAAKRQS-UHFFFAOYSA-N 434.558 3.264 0 50 IGAA O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC[C@H]2c2nccs2)c1 12244541 XYZZPQHLCSAHEU-KRWDZBQOSA-N 427.555 3.434 0 50 IGAA Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)nc2c1CCCC2 12440064 NICRQJMXLZMJMO-NRFANRHFSA-N 434.584 3.194 0 50 IGAA CCOc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCCC2 17097945 XKTPXCINQGTOAR-UHFFFAOYSA-N 432.498 3.318 0 50 IGAA CC(=O)Nc1cc(CNCc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCN(C)CC2)c1 20539309 CPCRUNKHJIOAKF-UHFFFAOYSA-N 448.489 3.341 0 50 IGAA COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1Cl 169779703 QQVCRXYPCXWMBB-UHFFFAOYSA-N 426.904 3.171 0 50 IGAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 170594684 BHWNNHXXQJCHSI-AVRDEDQJSA-N 427.570 3.408 0 50 IGAA O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 239235422 VXUYAWJMZPPCHS-GHDARCQNSA-N 440.293 3.479 0 50 IGAA COc1cc(I)c(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)O)cc1OC 432105818 FZVGNWDOTWLHKI-APPDUMDISA-N 447.269 3.072 0 50 IGAA CCn1cc(NC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)ccc1=O 463122963 HYNYICWTPVPOSO-UHFFFAOYSA-N 443.550 3.180 0 50 IGAA COc1cnc([C@@H]2CCCN2C(=O)Nc2cn(CC(F)(F)F)nc2C2CC2)nc1O 1875330696 YIKZRNSTVPJKLQ-LBPRGKRZSA-N 426.399 3.196 0 50 IGAA CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC3(CCC3)S(=O)(=O)CC1)O[C@@H](C)C2 1875334183 CJMASTHDNGOIRX-VDZJLULYSA-N 433.570 3.082 0 50 IGAA COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2I)c1 672086 CULANBWDQJGZHQ-UHFFFAOYSA-N 442.278 3.435 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 893839 MQTVUKPEMKBZFB-SFHVURJKSA-N 430.570 3.331 0 50 IGAA COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 1059844 LARXSPFVHNXHLX-ZDUSSCGKSA-N 443.504 3.185 0 50 IGAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(OC)ccc2OC)c1 1139455 HPZBDZHIQQDIRN-FQEVSTJZSA-N 443.525 3.153 0 50 IGAA CC[C@H](O)CNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1S[C@H](c1ccccn1)C2 11909718 BJCSAWSZXUIOHD-AOMKIAJQSA-N 435.549 3.431 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)CC1 12581822 RTYWRUJIZZKVQZ-UHFFFAOYSA-N 431.558 3.213 0 50 IGAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 14531115 GETXRPJXQONWNJ-UHFFFAOYSA-N 436.556 3.226 0 50 IGAA Cc1cc(Cc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)c(=O)[nH]n1 33026622 NDGOPMFPBRSCHN-UHFFFAOYSA-N 437.565 3.313 0 50 IGAA Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 67603394 RSVXAWVFVAHTHN-UHFFFAOYSA-N 445.552 3.365 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)CCC(=O)N2)cc1OC 104303113 ZAVCWBWDBWKTHN-KYCQWFEFSA-N 438.568 3.394 0 50 IGAA C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1 145898700 WTLRSSATGYETCG-QGZVFWFLSA-N 431.496 3.373 0 50 IGAA in-vitro Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)CCC(=O)c4cccnc4)CC3)n2)cc1 170595762 ZQQNLJROLXNLFY-GOSISDBHSA-N 433.512 3.308 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239403109 RMZSELYIZSDYMH-CEUOSFJWSA-N 449.732 3.483 0 50 IGAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 245312062 SBHPYWUIZUXOQZ-ANULTFPQSA-N 436.895 3.378 0 50 IGAA CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1 253387928 QMDKVNSQXPVCRD-RQNOJGIXSA-N 442.604 3.471 0 50 IGAA in-vitro CN1CC[C@@H](C(=O)Nc2cccc3cc(Br)cnc23)[C@@H](c2cnn(C)c2)C1 849592864 RZMQANYQAUYBFB-IAGOWNOFSA-N 428.334 3.405 0 50 IGAA O=C(NCC1=CCOCC1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893444 MEIQWFLVWDOSMT-IBGZPJMESA-N 440.397 3.438 0 50 IGAA Cc1cc(N2CCN(C(=O)c3cccc4nccnc34)CC2)nc(-c2ccccc2O)n1 952991230 VDYCGGZWYWYXHG-UHFFFAOYSA-N 426.480 3.063 0 50 IGAA N=c1[nH]c2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCN(C(=O)CCCc4cccnc4)C3)ccc2o1 1875360325 FMYRFUVNFFMFQV-TZIWHRDSSA-N 447.539 3.111 0 50 IGAA C=CC(=O)N1CCC(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)(c2ccccc2)CC1 1875369625 ZDRAHCQPYVYHAC-GOSISDBHSA-N 429.561 3.104 0 50 IGAA Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875372932 PZNXGRLBODDLPH-ZDUSSCGKSA-N 449.838 3.026 0 50 IGAA Cc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896108 REIITQIHYAVLOE-VXKWHMMOSA-N 445.519 3.123 0 50 IGAA COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 1117590 VEPBMONFHDXUIJ-UHFFFAOYSA-N 431.297 3.185 0 50 IGAA COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccccc3OC)c(C)o2)cc1 8597436 JPIYQEVPBNTRMI-SSEXGKCCSA-N 428.510 3.232 0 50 IGAA CCOc1ccc(NC(=S)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(CC)cc2)cc1 9971143 WVIDZEUATIDKLQ-HXUWFJFHSA-N 440.569 3.174 0 50 IGAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)CCc3cccc(OC)c3)c(C)o2)c1 12056293 PFEMWEXWXWPABX-UHFFFAOYSA-N 437.496 3.493 0 50 IGAA COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12073834 INNFYUGWKBZFPU-JOCHJYFZSA-N 428.577 3.121 0 50 IGAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N[C@@H](C)c2nc3cc(C)ccc3[nH]2)c1=O 12097105 WOLSGVUQQHORSN-HNNXBMFYSA-N 435.528 3.389 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)cc1 17986572 JXWPNABMPCXMNW-ZAOYMGCJSA-N 433.460 3.437 0 50 IGAA Cc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607542 KPDXWFNXJRZWFP-SNVBAGLBSA-N 437.388 3.367 0 50 IGAA Cc1ccc(-c2nn3ccn(Cc4nc(-c5ccccc5C)no4)c(=O)c3c2CO)cc1 263619451 YSJKJQWBOCKPJP-UHFFFAOYSA-N 427.464 3.370 0 50 IGAA C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 752758647 AMJKJFBVIGLTIP-DYZYQPBXSA-N 426.325 3.169 0 50 IGAA NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cc3ccccc3nc1N1CCCCC1)C(=O)N2 917622634 UGWBGFPCWIUHGE-CPNJWEJPSA-N 434.521 3.365 0 50 IGAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc12 1875350762 ZPENYCBDQOPHCJ-UHFFFAOYSA-N 439.397 3.444 0 50 IGAA O=C(C[C@H]1C[C@H]2C=C[C@H]1C2)N[C@H](Cc1cc(I)ccc1F)C(=O)O 2325876173 MBWXLDZCRKJXBD-PVTKRXDGSA-N 443.256 3.145 0 50 IGAA COCCCN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 2864198 GTLUIDWTVGLBTN-GOSISDBHSA-N 433.480 3.332 0 50 IGAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 9010422 YKJBVDQKONRLBB-CYBMUJFWSA-N 428.341 3.106 0 50 IGAA CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 9118981 BQKAWTXHTHGFNQ-UHFFFAOYSA-N 443.544 3.135 0 50 IGAA Cc1ccc(-n2cc(CN3CCC(n4nccc4NC(=O)[C@H]4CCOC4)CC3)cn2)cc1 12019874 KBEUQDUOPAQMTG-FQEVSTJZSA-N 434.544 3.189 0 50 IGAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 12201679 OBGHXFHZZOFYIM-IBGZPJMESA-N 431.577 3.352 0 50 IGAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cc1 12434996 IYICLTKBVTZOOL-KRWDZBQOSA-N 439.537 3.074 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccccc2OC)CC1 12747362 DJJJVGNDDJHJIG-UHFFFAOYSA-N 428.529 3.123 0 50 IGAA CC[C@@H](C)C(=O)C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 14979429 LZVNZFUVEMCWSO-QGZVFWFLSA-N 426.517 3.069 0 50 IGAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1cc(C)ccc1C 15000911 RGLDTTAAOKOOBR-GGAORHGYSA-N 432.524 3.035 0 50 IGAA O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccc(Cl)c(Cl)c1 18162400 XBPZIWHYAFPQHH-JKSUJKDBSA-N 436.230 3.064 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 33330710 JASFXTRWRDCRNC-FGGAIWKESA-N 448.544 3.115 0 50 IGAA CC(C)c1nc(N2CCC(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)no1 82087640 SJEUQTXFSFAQJS-FQEVSTJZSA-N 425.577 3.233 0 50 IGAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1 82230398 FMYIBBYUPRKCPD-UHFFFAOYSA-N 440.935 3.212 0 50 IGAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4nn(C)c5ccccc45)ccn3n2)cc1C 169775950 BNFPGLNLMRZUGV-UHFFFAOYSA-N 440.507 3.097 0 50 IGAA CN(C)C(=O)c1ccc(NC(=O)CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cc1 170599743 DKUNDGCAEALTBH-IHPCNDPISA-N 429.561 3.302 0 50 IGAA CS(=O)(=O)c1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 170617673 RTVQJXWUCJZCCC-ROUUACIJSA-N 426.460 3.339 0 50 IGAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@H]21 239402584 QURIKTCPTRGTIR-RVLCIERPSA-N 444.487 3.347 0 50 IGAA CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 244866460 VWPLRSZVLKGYMI-PXVQWCDCSA-N 430.504 3.470 0 50 IGAA O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCCN(C[C@H]2CCCO2)CC1 252452355 DOAKQEGKLVLLEL-QZTJIDSGSA-N 440.510 3.030 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3onc4c3CCCC4)C2)cc1OC 824547290 XFHQYOJBZSLEQR-GOSISDBHSA-N 427.545 3.350 0 50 IGAA Cc1cc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c2ccccc2n1 1857737479 NZFNJOAJXFGICX-UHFFFAOYSA-N 431.540 3.360 0 50 IGAA COC(=O)C1CC(OCc2cn(CC3Cc4ccccc4C3)nn2)(c2ccc(O)cc2)C1 1875342832 JAQRXQKEMICAGA-UHFFFAOYSA-N 433.508 3.394 0 50 IGAA C[S@@](=O)(=NC(=O)CCc1ccc(Cl)s1)C1CCN(C(=O)C2=CCOCC2)CC1 2332238841 NWOAPYWVDLFARB-NDEPHWFRSA-N 445.006 3.296 0 50 IGAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(OC)c1OC 672521 QDHSQEXGRFNJOL-UHFFFAOYSA-N 448.541 3.385 0 50 IGAA COC(=O)c1cccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccco2)c1 9058325 GEJIQVPQUJBXPP-LICLKQGHSA-N 434.404 3.205 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)Cn2cc3ccccc3n2)C1 11668154 RAGIJVCOYSSOMW-HXUWFJFHSA-N 433.556 3.151 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H](CCSC)NC(C)=O)CC1 11934550 YJKCIJDDGACYRW-NRFANRHFSA-N 448.629 3.439 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)c1ccccc1-n1cccn1)CC2 11968356 ZVLHHLRHZIMGEK-IBGZPJMESA-N 444.491 3.482 0 50 IGAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1 12294071 JDLNLTCTMGSZII-VOSMRYOYSA-N 448.544 3.195 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@H]1c1ccccc1 13603218 RTLVPAJKTJTATR-WXDSPWAPSA-N 430.529 3.463 0 50 IGAA CCOc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 170623664 AZZAMRRCQSVSQI-UHFFFAOYSA-N 447.938 3.342 0 50 IGAA COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 241439968 NNWBRGWEMYEWRY-UZLBHIALSA-N 426.513 3.489 0 50 IGAA O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 252509419 YNQYCDAEWSILGE-FQEVSTJZSA-N 427.443 3.392 0 50 IGAA CSCC[C@@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 252548811 QMCZNXKANWPMAM-LJQANCHMSA-N 436.541 3.059 0 50 IGAA C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@H]1Oc2ccccc2[C@@H]1C 438980491 UDGAGAXMGXKZNK-KNESASJNSA-N 432.524 3.485 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccccc2C(F)(F)F)cc1OC 1529180650 GRNITOPMFJOHLP-RTBURBONSA-N 425.403 3.297 0 50 IGAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)NCc1ccn(-c2c(F)cccc2F)n1 1875253425 NXOPGOHPAIIGKE-UHFFFAOYSA-N 426.402 3.475 0 50 IGAA C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(C)C(=O)[C@@H]21)c1nc2cc(Cl)c(Cl)cc2[nH]1 2325823856 GIEHTQREGPHRTK-SILVMDLWSA-N 435.311 3.100 0 50 IGAA COc1ccc(N([C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 880232 BRCKJZIBJUIUDY-GFCCVEGCSA-N 431.341 3.473 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O 2979878 MSCIOIOFJKNTIK-UHFFFAOYSA-N 442.990 3.332 0 50 IGAA COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 11812810 MRPYXJUIJQZNJJ-HXUWFJFHSA-N 437.544 3.455 0 50 IGAA O=C(CCn1c(CO)nc2ccccc21)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 11819398 PTGYBHKEOCKVSB-IBGZPJMESA-N 426.948 3.353 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccc[n+]([O-])c2)O3)c1 11911192 DOIUQNKYEPNMIW-SFHVURJKSA-N 440.883 3.391 0 50 IGAA COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12092816 PCDASUHQETUXRR-FQEVSTJZSA-N 432.565 3.023 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CN3CCCC3)C2)n1Cc1ccccc1 12299913 SEUQTQALKGHYES-NRFANRHFSA-N 430.618 3.033 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1 12304598 YPQVNCKEWHCNPE-FQEVSTJZSA-N 433.556 3.151 0 50 IGAA CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CN(c1ccc(C(=O)O)cc1)C2=O 12416639 GLSKANVQBFKXDB-KRWDZBQOSA-N 442.269 3.144 0 50 IGAA O=C(Cn1nc2ccccc2n1)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 14950792 DZRXCLKMJDWRCJ-OAQYLSRUSA-N 425.577 3.094 0 50 IGAA COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)CCC1=O 14952250 TZGRAUUWTIWVJZ-QHCPKHFHSA-N 435.568 3.346 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C(C)C)cc2)cc1 19811906 JDZBKSOPSIGUMJ-UHFFFAOYSA-N 429.586 3.088 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 72117822 MWRVHARAIMBFQY-UHFFFAOYSA-N 441.923 3.295 0 50 IGAA CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCC(=O)NC2CCCCC2)C1(C)C 170602175 OREMYWSBWMWWPB-GAJHUEQPSA-N 439.597 3.040 0 50 IGAA CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 170613042 AYYGGPUYKSAPNS-UHFFFAOYSA-N 437.968 3.402 0 50 IGAA CC(C)[C@@H](NC(=O)CCCCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 223232526 COSYWFZJWZPRSE-GOSISDBHSA-N 434.500 3.023 0 50 IGAA COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=NC(=O)N(C)[C@@H]32)cc(OC)c1OC 253470757 CLLOSEKQRVUUFS-DNVCBOLYSA-N 427.432 3.205 0 50 IGAA COC(=O)c1cn([C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc2c(=O)[nH]nc1-2 263588803 YONOZQKNXKZMGH-IBGZPJMESA-N 441.447 3.345 0 50 IGAA CC[C@@H](C)CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2ccccc2OC)CC1 299770203 NVNWLGQVLLUTEO-IFMALSPDSA-N 441.616 3.404 0 50 IGAA COc1ccnc(N2CCN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)c1 409933138 QOEXGSAFLSSVHB-UHFFFAOYSA-N 433.390 3.121 0 50 IGAA O=C(c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N1CCO[C@H](c2nn[nH]n2)C1 732091839 SFAJYIXFXUGGKI-TXUZILRVSA-N 442.479 3.432 0 50 IGAA CC(=O)c1cn([C@H](C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c2ccccc12 827654567 SNYCVERHBKCPMD-MYUJAXMCSA-N 432.528 3.256 0 50 IGAA O=C(NCc1ccccc1CNC(=O)c1cccnc1O)c1cc(-c2ccccc2)on1 2325873725 QXCPKPIKEQXZNX-UHFFFAOYSA-N 428.448 3.302 0 50 IGAA CCNc1nc(N)nc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1 2877653 ZNAYCNUOKJRDDB-UHFFFAOYSA-N 438.275 3.233 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 12054807 GHQNIXCSBHSDCU-HXUWFJFHSA-N 432.586 3.340 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CN1CCc1ccccn1 12448976 JXEIYIBQBDUUMF-LJQANCHMSA-N 432.524 3.410 0 50 IGAA Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 13681194 VCOVKBQVPOALTM-GOSISDBHSA-N 443.569 3.333 0 50 IGAA O=C(Nc1cccc2ccccc12)N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1 14535862 IDFSOFKUTMGRLF-NYVOZVTQSA-N 434.540 3.400 0 50 IGAA Cc1[nH]cnc1CN1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 14752268 WOASHOVZKZEHQA-HSZRJFAPSA-N 436.531 3.330 0 50 IGAA CCn1nc(C)cc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 76871608 IKSSVJPSFSLGFP-UHFFFAOYSA-N 437.588 3.193 0 50 IGAA COc1ccccc1C(=O)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777623 LUTXHSMLKDIXKK-KRWDZBQOSA-N 430.468 3.481 0 50 IGAA Cc1ccc(C(=O)NCCNS(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cc1F 225833613 PQGWVSVQGITWIF-UHFFFAOYSA-N 432.439 3.045 0 50 IGAA Cc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239308800 GZFWBGIJYFEBSI-JROKTQBJSA-N 429.314 3.139 0 50 IGAA COC(=O)c1cn(-c2ccc3c(c2)nc(C)n3CCc2ccccc2)cc2c(=O)[nH]nc1-2 253408616 KXFMNTSSEUOAGC-UHFFFAOYSA-N 427.464 3.353 0 50 IGAA CCN(CC)CC[C@@H](CO)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 328592177 IMJKKKFFUXCIKW-IBGZPJMESA-N 426.586 3.449 0 50 IGAA CC(C)(C)c1cnc(S(=O)(=O)Cc2nnnn2-c2ccc(C(F)(F)F)cc2)s1 469985184 YPEISZKGHKWETL-UHFFFAOYSA-N 431.465 3.409 0 50 IGAA Cc1cc(=NC(=O)[C@H]2CCN(C)C[C@@H]2c2ccnn2C)[nH]n1-c1cccc(C(F)(F)F)c1 1875267127 GIZMTAJTXQZAQO-ROUUACIJSA-N 446.477 3.029 0 50 IGAA CC1([C@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23CO)OCCO6)OCCO1 2080799084 SPRGBCQVWWNTQI-VSTSMLELSA-N 436.589 3.095 0 50 IGAA Cc1c(CCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)c2ccccc2n1-c1ccccc1 11821258 DWZYVPDIELQUBF-DEOSSOPVSA-N 432.568 3.197 0 50 IGAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1 11839699 NVBSXEPCZJTINK-QGZVFWFLSA-N 435.911 3.270 0 50 IGAA O=C(CC[C@H]1CCCN(Cc2cccc3nccnc23)C1)N1CCN(c2ccccn2)CC1 12387254 TUWBFEHIEOXSRD-OAQYLSRUSA-N 444.583 3.366 0 50 IGAA Cc1nc[nH]c1CN1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC(C)C 14749573 WGCGXFWBXWZFGE-UHFFFAOYSA-N 435.572 3.140 0 50 IGAA Cc1c(C(=O)NC2Cc3ccccc3C2)sc2ncnc(NCCCN3CCCC3=O)c12 14983966 VLRPYWDAISYDTF-UHFFFAOYSA-N 449.580 3.321 0 50 IGAA Cc1ccc(N(C[C@H](O)CN2CCOCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 19791198 IPFYZWASKJIRKT-HSZRJFAPSA-N 440.565 3.037 0 50 IGAA Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)ccc(Br)c1Cl 239254578 YKSLJVDRWYFTOP-NRULLWLTSA-N 449.732 3.403 0 50 IGAA COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)c(OC)c1 263615506 CTFVWAAWYLNVFE-UHFFFAOYSA-N 430.892 3.024 0 50 IGAA NC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 752650004 ZAAUDXCEKZJFLY-AREMUKBSSA-N 429.520 3.331 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCc3nc(C(C)C)no3)CCSCC2)o1 1776111568 BLVOKLDXNAHKTE-UHFFFAOYSA-N 435.546 3.064 0 50 IGAA O=C(N[C@H]1COCCN(C(=O)c2cc(Cl)ccc2Cl)C1)c1ccc2c[nH]nc2c1 1875349935 UFGFMNJQUMYPEY-OAHLLOKOSA-N 433.295 3.141 0 50 IGAA COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2)cc1OC 940920 HPOOQXKAJAIAED-UHFFFAOYSA-N 442.278 3.435 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)c(C)s3)cc2)nc(OC)n1 2731370 YDWFAHFIQCIMNH-UHFFFAOYSA-N 448.526 3.225 0 50 IGAA COC(=O)c1sc(NC(=S)Nc2ccc(N(C)C(C)=O)cc2)c(C(=O)OC)c1C 2858495 MXELDDIUHRXEQV-UHFFFAOYSA-N 435.527 3.421 0 50 IGAA COc1cccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)c1 2991420 QHQGNTSSMIYKHX-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)CN1C1C2CC3CC(C2)CC1C3 12181754 ZGJOAPYHNRVJKH-LOVLPNRSSA-N 440.979 3.083 0 50 IGAA COCc1c(C(=O)NCc2cccc(C)n2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12181771 LKFBWZMNCHWQMU-UHFFFAOYSA-N 440.507 3.208 0 50 IGAA C[C@H](NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 12401777 HZWKJPYUMUFAJJ-QRYOHXEKSA-N 441.557 3.204 0 50 IGAA Cc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c(C)c1 12447108 KOBRKMWWZPCOJI-UHFFFAOYSA-N 428.492 3.420 0 50 IGAA Cc1cc(C)n(CCC(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n1 12477731 CYHFQIBFNIRGFI-QFIPXVFZSA-N 443.611 3.332 0 50 IGAA COCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(CCc2ccccc2)C1 14731619 SPMLNJYIYPMWIW-XZOQPEGZSA-N 425.573 3.102 0 50 IGAA Cc1nc2ccccc2nc1CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C 14744022 VTFQQZLHEHGRGM-UHFFFAOYSA-N 429.524 3.367 0 50 IGAA COc1cccc(CN2C[C@H](OCc3c(C)noc3C)CN(C(=O)C(C)(C)C)CC2=O)c1 14750180 VIODATMJVAXPFZ-FQEVSTJZSA-N 443.544 3.102 0 50 IGAA CCOC(=O)c1sc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)nc1-c1ccccc1 170600411 FBYOTDPLOFWVGH-CQSZACIVSA-N 434.539 3.140 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 239164846 NAHDYRZAJDPAAA-UWTIAYHASA-N 449.732 3.484 0 50 IGAA C[C@@]1(c2ccc(CNC(=O)N3CCc4c(Cl)cc(Cl)cc4C3)cc2)NC(=O)NC1=O 485486516 DBCBNZZJRMVECC-NRFANRHFSA-N 447.322 3.316 0 50 IGAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@H](c2cccnc2)N2CCOCC2)c1 823057931 YONYUNUTNZUGEL-FQEVSTJZSA-N 430.936 3.229 0 50 IGAA CCN(Cc1ccccc1)C(=O)C1CCN(c2c(C(=O)O)cnc3c2c(C)nn3C)CC1 1529171773 BBIHQBHGOSWTGX-UHFFFAOYSA-N 435.528 3.240 0 50 IGAA O=C1CC[C@@H](CNC(=O)N2CCC[C@@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)N1 1875302429 QBPMBXJNKUMXQS-KKSFZXQISA-N 439.387 3.270 0 50 IGAA CC(C)c1ocnc1CNC(=O)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)o1 2325863508 LUQWBIJBKMJPNB-UHFFFAOYSA-N 437.456 3.245 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1)c1ccc2cccnn12 2332238611 FMVRGJWDQHYIOT-INCQDFKNSA-N 438.500 3.000 0 50 IGAA O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(I)cn1 1134719 ALKWJWVSNVHHNG-UHFFFAOYSA-N 447.685 3.232 0 50 IGAA COc1cccc(N2CCN(C(=O)c3c(Cc4ccccc4F)n(C)c(C)cc3=O)CC2)c1 11790509 ALDUYCUFRIWQRC-UHFFFAOYSA-N 449.526 3.395 0 50 IGAA COc1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc2c1OCO2 12056545 JYFDIAYHYJNYAP-HXUWFJFHSA-N 438.524 3.368 0 50 IGAA CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CN(c1ccc(C(=O)O)cc1)C2=O 12416641 GLSKANVQBFKXDB-QGZVFWFLSA-N 442.269 3.144 0 50 IGAA O=C(C(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1)c1ccco1 12429539 PSXINAGKSNTSOR-QHCPKHFHSA-N 436.552 3.349 0 50 IGAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)CCn1ccc(C)n1)C2 15000751 GRVJRLBSCQEQAJ-IBGZPJMESA-N 433.508 3.464 0 50 IGAA CCOc1ccc(CC(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1 169777964 FZCGEKJIXDAEGJ-LJQANCHMSA-N 444.495 3.410 0 50 IGAA CCOc1ccccc1[C@@H](CC(=O)NC[C@H](O)c1cccc(Br)c1)NC(C)=O 225737089 HYUYTBOZNJTDHE-MOPGFXCFSA-N 449.345 3.265 0 50 IGAA CN1CCC2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O 446511127 RTNAEIKAOAFRKF-KRWDZBQOSA-N 438.355 3.069 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1 1875262654 IEFULIABVCAAQW-QHCPKHFHSA-N 444.535 3.198 0 50 IGAA O=C(NS(=O)(=O)Cc1cccc2nsnc12)c1ccc(Oc2cccnc2)cc1 1875342933 AEVDCIGFNFVVDD-UHFFFAOYSA-N 426.479 3.138 0 50 IGAA Cc1nsc2ncc(C(=O)N3CCN(Cc4cn5cc(Cl)ccc5n4)CC3)cc12 2325703161 IOGXWBIBAXFFJS-UHFFFAOYSA-N 426.933 3.259 0 50 IGAA O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)NCC1[C@H]2COC[C@H]12 2325724244 HXTJXYGCHDWAQV-HUUCEWRRSA-N 435.343 3.314 0 50 IGAA O=C(NC[C@H]1CCCO1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 721091 IVCVYNHRZCQMQN-GFCCVEGCSA-N 434.374 3.053 0 50 IGAA O=C(NC[C@H]1CCCO1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 862920 QJHLUOAYVSWRHB-GFCCVEGCSA-N 434.374 3.053 0 50 IGAA Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 1131376 FQVLWUQPQQNNEV-UHFFFAOYSA-N 427.505 3.232 0 50 IGAA COc1ccccc1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 1162471 WYIGIRBSDPEPFO-UHFFFAOYSA-N 439.331 3.495 0 50 IGAA O=S(=O)(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccc(F)cc1 2695008 IIHQDRFLBRPQEG-UHFFFAOYSA-N 441.531 3.021 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(OCc2ccccc2)cc1 2864279 XUWDFXVVNKVLQD-UHFFFAOYSA-N 438.549 3.391 0 50 IGAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Br)C1=O 2938878 ZTOWXKVNLJTBQY-VGOFMYFVSA-N 444.303 3.456 0 50 IGAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 2980835 XSTRKOKVHCAUPS-UHFFFAOYSA-N 439.278 3.376 0 50 IGAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(=O)n(-c5ccccn5)cnc4c23)CO1 8836200 QFJQCOYQEGHKFP-UHFFFAOYSA-N 449.536 3.078 0 50 IGAA Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 9805602 GSZFOMMHYGQTJC-UHFFFAOYSA-N 432.889 3.477 0 50 IGAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@H](O)CN1CCCCCCC1 11936655 NFRCCLCOWHIFPC-JOCHJYFZSA-N 430.593 3.365 0 50 IGAA C[C@@H]1C[C@@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)NC(=S)N1 12128846 ONZSXPUXXLQPRL-IAISJRAMSA-N 449.498 3.417 0 50 IGAA COc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)c(C)c1C 104431398 CMSPPSKWMRXONZ-HXUWFJFHSA-N 428.602 3.398 0 50 IGAA COc1ccc([C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C3=NC(=O)N(C)[C@@H]32)cc1 253471591 VSZUODXXMZFPDQ-OXJNMPFZSA-N 439.468 3.074 0 50 IGAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(N3CCOCC3)c3ccc(Cl)cc3n2)C1 299755675 CQTSXPKQRZYTGX-KRWDZBQOSA-N 445.995 3.200 0 50 IGAA COc1ccc(OC)c2c1CN(Cc1csc(CNC(=O)c3ccccc3)n1)C[C@@H]2O 750816951 DQZIJASJICSGPR-SFHVURJKSA-N 439.537 3.140 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 692053 FYBZCFNBTZTAQS-QGZVFWFLSA-N 429.542 3.017 0 50 IGAA O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1111568 JNIRSYHMSMCZSD-UHFFFAOYSA-N 438.505 3.231 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 12054810 GHQNIXCSBHSDCU-FQEVSTJZSA-N 432.586 3.340 0 50 IGAA CC[C@@H](COC)NC(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C 12192115 JTQQPODRWZEFJC-AWEZNQCLSA-N 428.514 3.495 0 50 IGAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(C(C)C)CC2)c1=O 14983412 ICPLFQXENBDVDT-UHFFFAOYSA-N 430.593 3.050 0 50 IGAA O=C(O)CCCC[C@@H]1SC[C@H](NC(=O)c2ccccc2)[C@@H]1NC(=O)c1ccccc1 14987566 DOBCSAZFJKTPFM-ZJOUEHCJSA-N 426.538 3.344 0 50 IGAA biogenic CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 16399446 PUHUVJRPJROSEM-UHFFFAOYSA-N 437.565 3.199 0 50 IGAA O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(I)cc1 23085679 LMYGLAPRWBNNKJ-UHFFFAOYSA-N 435.309 3.048 0 50 IGAA COCCC1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 82126960 CLPIBQDTRJRLAR-QHCPKHFHSA-N 428.621 3.033 0 50 IGAA CCOC(=O)c1nc(NS(=O)(=O)c2cc(C)ccc2Br)sc1C(C)=O 225529542 PCDFMQKQEHOACO-UHFFFAOYSA-N 447.332 3.394 0 50 IGAA O=C(CN1CCC(F)(c2ccccn2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 241383448 MVKPOIZIPLOLQS-LJQANCHMSA-N 425.504 3.477 0 50 IGAA COc1ccc2cc([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(N3CCOCC3)nc2c1 253405510 IINOFANYARONGV-INIZCTEOSA-N 434.448 3.250 0 50 IGAA biogenic O=C(O)[C@@]1(Cl)[C@@]2(Cl)C(Cl)=C[C@]3(Cl)[C@@]1(Cl)[C@]2(Cl)[C@@]3(Cl)C(=O)O 254521157 FSRRBXBOENDYJV-PIAOCPBHSA-N 435.301 3.185 0 50 IGAA O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCS(=O)(=O)C2(CCCCC2)C1 440915462 VJUHGXXWXGJXPC-UHFFFAOYSA-N 448.976 3.372 0 50 IGAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 476863458 XEHIWGPCBOCRAT-RBUKOAKNSA-N 436.531 3.134 0 50 IGAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC(n2c(O)nc3cccnc32)CC1 1875362299 ZESSMQPFLUSOPG-UHFFFAOYSA-N 440.525 3.254 0 50 IGAA COc1cccc(CO[C@@H](C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2c(C)cnn2C(C)C)c1 2325826682 JHOWZULYEYGPDJ-IOMROCGXSA-N 442.560 3.153 0 50 IGAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc(CO)o2)[C@H](C)C1 2325829872 UXWXVDNDUSQQDN-OLZOCXBDSA-N 441.311 3.219 0 50 IGAA CCc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)N(CC(=O)OC)C2=S)cc1 1126465 XQULAXGTPPLUHL-UYRXBGFRSA-N 438.505 3.183 0 50 IGAA COC(=O)c1ccccc1NC(=O)N[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2825663 KNJRZKBBXXEAPD-OAQYLSRUSA-N 443.459 3.460 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1OC 2997520 ABBHTSIGPBZUIR-UHFFFAOYSA-N 432.542 3.360 0 50 IGAA CCOC(=O)C[C@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccc(OC)cc1 3622659 CWZXOGSPCLGUER-IBGZPJMESA-N 425.437 3.235 0 50 IGAA CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)NC3CCCCCC3)c2n1C 11789721 YBTAMLAJSYXVGO-UHFFFAOYSA-N 449.621 3.443 0 50 IGAA CCC[C@]1(C2CCN(C(=O)C(=O)[C@@H](C)CC)CC2)NC(=O)N(CCc2cccs2)C1=O 12162516 LXNPBEZIYTVCAH-QMHKHESXSA-N 447.601 3.235 0 50 IGAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cnccn3)cc2)n1 12372881 JXFGVIKFPRLPHC-QFIPXVFZSA-N 432.528 3.232 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CN(C)Cc2cccnc2)C1 12435447 PEUVXYWONDVHTQ-XMMPIXPASA-N 427.520 3.067 0 50 IGAA CCn1ncc(-c2ccnc3c(C(=O)N(C)Cc4nn(C)c(Cl)c4Cl)cnn23)c1C 13644645 JBQDRHJTKDXLNY-UHFFFAOYSA-N 447.330 3.234 0 50 IGAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NC1CCN(Cc3ccccc3)CC1)C2 14533243 QMGCEUQQGSDEAE-QFIPXVFZSA-N 435.616 3.158 0 50 IGAA COc1ccc(CN2C[C@@H](C(=O)N(C)C)C[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1OC 14731912 PZQCCMWSCSIWAP-MSOLQXFVSA-N 443.519 3.008 0 50 IGAA COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N[C@H](C)C(=O)OC)cnc2n1CC(C)C 14743125 DBYWTVYRGPDUDS-CYBMUJFWSA-N 442.472 3.298 0 50 IGAA Cc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C 67630057 FWGWWKXMTYNQDJ-UHFFFAOYSA-N 429.586 3.094 0 50 IGAA C[C@@H]1CN(S(=O)(=O)CCNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 229613022 KTCBIMAJHKRJCB-OPYAIIAOSA-N 448.610 3.075 0 50 IGAA COCCc1noc([C@H]2CCCCN2S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)n1 824462493 VZOKATUAJAEAAQ-QGZVFWFLSA-N 446.529 3.446 0 50 IGAA Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cc(S(N)(=O)=O)c1C 828140728 HHLUPZVWQSPOFA-NRFANRHFSA-N 429.586 3.298 0 50 IGAA COc1ccccc1N1C[C@@H](C(=O)N2CCC3(CC2)OCCc2sccc23)CC1=O 2356149436 ZXZVZKPDJDVJJN-INIZCTEOSA-N 426.538 3.200 0 50 IGAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 670484 VUGWBSLTIOVBAU-JTQLQIEISA-N 431.297 3.224 0 50 IGAA O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCc2ccccc21 1072038 FGKAGTYQSDYKHX-UHFFFAOYSA-N 448.552 3.133 0 50 IGAA aggregator O=C(NCCc1cscn1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12025254 PDZYHQMVONKRLQ-UHFFFAOYSA-N 436.537 3.194 0 50 IGAA C[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 12149589 JLYHMOYDUOJPLJ-RXFWQSSRSA-N 449.551 3.196 0 50 IGAA CN(C(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCN(CCCc2ccccc2)C1 12315466 DYOVQAMZOUZZFC-QFIPXVFZSA-N 432.568 3.342 0 50 IGAA CC(C)CN1C[C@H](OCc2ccncc2)CN(Cc2c[nH]nc2-c2ccccc2)CC1=O 14536680 ORWIQQNTPUZGEQ-HSZRJFAPSA-N 433.556 3.357 0 50 IGAA COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100637129 NFQIKDHKJJPOFD-AVDACDSBSA-N 446.503 3.061 0 50 IGAA C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169781372 VFVFJJXFYTVSHU-SJLPKXTDSA-N 430.468 3.236 0 50 IGAA COc1ccc(OC)c2c1CN(C(=O)c1cnc(SC)n1-c1ccccc1)C[C@@H]2O 170621132 LLPPALKAIKFGEU-KRWDZBQOSA-N 425.510 3.301 0 50 IGAA COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=NC(=O)N(C)[C@H]32)cc(OC)c1OC 253470756 CLLOSEKQRVUUFS-BEFAXECRSA-N 427.432 3.205 0 50 IGAA CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 261490111 ZNSYKAPBCWLIAY-RDTXWAMCSA-N 437.393 3.492 0 50 IGAA COC(=O)c1cccc(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 758149638 DJTXAHWCCMZUAK-AREMUKBSSA-N 442.471 3.346 0 50 IGAA COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 778329032 SCXTWIOGOHCJCM-APPDUMDISA-N 429.439 3.033 0 50 IGAA CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)CC1 825558107 UFHRNWAYZDRTJK-UHFFFAOYSA-N 432.358 3.299 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)(c2ccccc2)CC1 1445177131 WAVPZZPPVLXTBL-HSZRJFAPSA-N 440.584 3.310 0 50 IGAA O=C1CCOC2(CCN(C(=O)C3CCOCC3)CC2)CN1CCCCc1ccccc1 1704316461 QIQJNKYONIDSLN-UHFFFAOYSA-N 428.573 3.046 0 50 IGAA O=C(Nc1ccc(CN2CCN(C3CC3)CC2)cn1)c1cn(-c2cccc(Cl)c2)cn1 1875264938 UDUUKZHVNNMWQJ-UHFFFAOYSA-N 436.947 3.453 0 50 IGAA COc1ccc(F)c(C(=O)NC[C@@]2(C(C)(C)C)CCN(C(=O)c3cc(N)c(F)cn3)C2)c1 2325824752 PACOWBWTAWIRGH-QHCPKHFHSA-N 446.498 3.259 0 50 IGAA CCc1nn(C)c(C(=O)N[C@H]2CN(C(=O)CO[C@@H]3CCCC[C@@H]3CC)C[C@H]2C)c1Cl 2325829464 KPMRBFNSSJPNSF-MXSMSXNCSA-N 439.000 3.198 0 50 IGAA COc1ccccc1N1C(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)O)cc3)cc2C1=O 692495 WHEWHVWWGIJYBD-UHFFFAOYSA-N 437.429 3.027 0 50 IGAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)ccc1O 909919 GKJSFLFYDFWLPZ-FQEVSTJZSA-N 427.457 3.075 0 50 IGAA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2N)cc1OC 2383701 YBKFTBDMNMBHSM-UHFFFAOYSA-N 433.921 3.369 0 50 IGAA COc1ccc(CCNC(=O)C2(c3ccc(OC)c(OC)c3)CCOCC2)cc1OC 4476005 PRIMPQQVWJGSHW-UHFFFAOYSA-N 429.513 3.128 0 50 IGAA CCN(CC)C(=O)c1sc(NC(=S)N[C@@H](C)[C@@H]2CCCO2)c(C(=O)OC)c1C 5060194 CFLYHGGFLAMILV-STQMWFEESA-N 427.592 3.179 0 50 IGAA Cc1ccc(C)c(-n2cc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(-c3ccccc3)n2)c1 11754234 SFIBZFJMWMCMSW-JOCHJYFZSA-N 439.581 3.138 0 50 IGAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(Oc2ccccc2F)CC1 14978453 GBPTVUAWXPEOMS-JOCHJYFZSA-N 426.444 3.312 0 50 IGAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 16447958 CLEUNUKJCYNHQG-SJORKVTESA-N 431.558 3.317 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1C 169758073 QOJBFUUESNUADP-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA O=C(COc1ccccc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169780590 KIPNMIWFEAFOSD-UHFFFAOYSA-N 430.468 3.238 0 50 IGAA O=C(c1ccc(OCC2CC2)cc1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 225564070 JCJPDUBOGKJPCO-RUZDIDTESA-N 447.579 3.424 0 50 IGAA O=C(COC1CCOCC1)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952893903 OOWHKSNDZLPQGI-LJQANCHMSA-N 443.397 3.104 0 50 IGAA CCN(CC(=O)Nc1nnc([C@H]2CCCO2)s1)Cc1nc(-c2ccc(C)cc2)no1 1529134318 VLYVUMYGYQZKOP-OAHLLOKOSA-N 428.518 3.209 0 50 IGAA CC(C)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 2325819362 CFDUWXGDPGTMOJ-UHFFFAOYSA-N 429.467 3.086 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(F)cc2)cc1OC 798488 FTQWDJGVAHPECS-UHFFFAOYSA-N 436.505 3.051 0 50 IGAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)cc2)cc1 840627 SPZUQYJGTJUIKK-UHFFFAOYSA-N 428.510 3.498 0 50 IGAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 1056496 IBGUAUZZMLDYFF-PMACEKPBSA-N 440.521 3.434 0 50 IGAA NC(=O)c1c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)sc2c1CCCC2 11905612 WHZSBDGUIPPACU-UHFFFAOYSA-N 440.550 3.207 0 50 IGAA COCc1ccc(C(=O)N2CCc3c(c(C(=O)NC4CCCC4)nn3CC(C)C)C2)o1 14531696 WKZYEJWEOXZCLT-UHFFFAOYSA-N 428.533 3.149 0 50 IGAA O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3ncc[nH]3)CC2)N1CCc1ccccc1 14743966 ZYJHRTBSENRJNU-UHFFFAOYSA-N 443.551 3.451 0 50 IGAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c1=O 15002185 OJPCEGQBJBHTSB-GOSISDBHSA-N 431.577 3.254 0 50 IGAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(OC)c2OC)c1 16184108 DEKKWUFFKIJOBH-LJQANCHMSA-N 443.525 3.153 0 50 IGAA COc1ccc(CN(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cncn1 22851242 ZSQYZMFUTMPAGB-XMMPIXPASA-N 431.584 3.399 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 23361565 UNKZGFWTTIKYJJ-FPOVZHCZSA-N 437.918 3.114 0 50 IGAA O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(N2CCOCC2)cc1 57291791 XJTJBMFKGAAAJK-UHFFFAOYSA-N 448.489 3.303 0 50 IGAA COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c(OC)c1 65364999 WCAVIQYMKUXFPN-GOSISDBHSA-N 448.527 3.452 0 50 IGAA Cc1cccc(Nc2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nn2)n1 67621338 IQTACZLVGFZSLP-UHFFFAOYSA-N 438.919 3.305 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC 169775755 IPWIFDSAFOWDLN-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA O=C(O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 170610019 JADQBERBBKTCFD-CQQBXOTJSA-N 442.487 3.435 0 50 IGAA COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CC=C(C)C)CC3)o1 299779569 GEYJACLWPSSEMC-LJQANCHMSA-N 429.565 3.359 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)C[C@@H]21 754610094 SSPHOLPQKALSPV-QKPAOTATSA-N 441.594 3.058 0 50 IGAA CCn1nc(-c2nnc(N3CC[C@]4(C)[C@@H](C3)C4(Cl)Cl)n2C)c2ccccc2c1=O 809865736 XTUJGKLWNXINFP-AUUYWEPGSA-N 433.343 3.232 0 50 IGAA Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(Br)c2)cc1OCC(N)=O 1110075 IQRXQRTVZMJXHN-UHFFFAOYSA-N 433.711 3.076 0 50 IGAA CCN(CC)C(=O)c1sc(NC(=S)N[C@@H](C)[C@H]2CCCO2)c(C(=O)OC)c1C 5060197 CFLYHGGFLAMILV-QWHCGFSZSA-N 427.592 3.179 0 50 IGAA COc1ccc(CN2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c(OC)c1 8680863 YSVMFHHFPYTTLR-UHFFFAOYSA-N 442.556 3.292 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(C(F)(F)F)c1)C2 14532984 NRRCBBPNPNVVNU-INIZCTEOSA-N 438.519 3.275 0 50 IGAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 16625271 XUSHLSSTOHLFEV-MRXNPFEDSA-N 442.368 3.247 0 50 IGAA COc1ccc(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1OC 17094954 QQCWVQIBUGJRSN-UHFFFAOYSA-N 426.538 3.364 0 50 IGAA CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 100451456 NWHHIAUWHCNOGL-QFIPXVFZSA-N 436.556 3.495 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)NCc1ccccc1Cl 169757817 KKGNAHPXYCPSMK-LJQANCHMSA-N 446.290 3.187 0 50 IGAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 170594681 BHWNNHXXQJCHSI-XMSQKQJNSA-N 427.570 3.408 0 50 IGAA CCO[C@H]1C[C@@](NC(=O)CCc2ccc(OC)c(Br)c2)(C(=O)OC)C1(C)C 170602661 UEEAOXMDUZVZHW-OXJNMPFZSA-N 442.350 3.253 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239274619 ALPJIJNVVODKHN-ONEJUCAZSA-N 449.732 3.483 0 50 IGAA COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H](N1CCSCC1)C3 299767624 IHNCIRVDGUNNNE-INIZCTEOSA-N 427.595 3.421 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2c2nc(C)c3cc(OC)ccc3n2)o1 299797904 CZDHFAJLNSVQTR-IBGZPJMESA-N 438.484 3.002 0 50 IGAA CCNC(=O)COc1cccc(CNC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c1 498731244 TZXRNQCYLNQROM-UHFFFAOYSA-N 435.528 3.144 0 50 IGAA Cc1cc(N2CCN(C3CCN(C(=O)C4CCC4)CC3)CC2)nc(-c2ccccc2O)n1 1506408753 ZVGKKAAPNHGOFA-UHFFFAOYSA-N 435.572 3.071 0 50 IGAA CC(C)c1ccc(-c2nc(C(=O)N3CCn4c(nn(CC(F)F)c4=O)C3)cs2)cc1 1875265477 LWQANLUBQKSDPZ-UHFFFAOYSA-N 433.484 3.213 0 50 IGAA CCOC(=O)c1c[nH]nc1S(=O)(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820268 KVJWFETVIKNZQD-UHFFFAOYSA-N 432.329 3.337 0 50 IGAA CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)OC 753073 NSSUPTGHGVFDHT-UHFFFAOYSA-N 437.539 3.247 0 50 IGAA O=C(CSc1ncccn1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 11873769 RXNSVMABYQFIAX-INIZCTEOSA-N 444.988 3.309 0 50 IGAA CC(=O)N1CCC(N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)CC1 11933992 RUFCTCGOIPSUNP-HHHXNRCGSA-N 439.644 3.358 0 50 IGAA COc1ccc(CCN2CCC(CN(C)C(=O)c3cc(-c4cccn4C)n[nH]3)CC2)cc1 11935148 AKIARZPRHLRNOK-UHFFFAOYSA-N 435.572 3.451 0 50 IGAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2cn(C)c4ccccc24)CC3)CC1 12024967 NBKRDNFJSXFZRJ-NRFANRHFSA-N 438.572 3.081 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)N1CCN(c2ccccn2)CC1 12302478 FDSSGBSFEMNLAD-QHCPKHFHSA-N 434.584 3.382 0 50 IGAA CN(CC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1)Cc1cccnc1 12305348 MTYCKSPNIOZDNB-DEOSSOPVSA-N 428.527 3.306 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC 13943326 FXKJNZCQZIPJDH-HNNXBMFYSA-N 429.336 3.382 0 50 IGAA COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CCN(Cc1ccc(F)cc1)CC2 19744175 IGORFFSMPQLABR-UHFFFAOYSA-N 436.483 3.411 0 50 IGAA Cc1c(C(=O)NCc2cccs2)sc2ncnc(NCCCN3CCCC3=O)c12 20271925 FSHVKQVFOKHAGJ-UHFFFAOYSA-N 429.571 3.416 0 50 IGAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1)C2 39532079 YVDJFEVOOQFHED-MBSDFSHPSA-N 441.547 3.371 0 50 IGAA O=C1NCCN(Cc2cccc(F)c2F)[C@H]1CC(=O)N(Cc1ccccc1)CC1CCC1 55368977 XGODXFAODGTRJI-QFIPXVFZSA-N 441.522 3.484 0 50 IGAA Cc1cc(C)c([C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1 170610675 PTTXDPSMADLDSI-NRFANRHFSA-N 430.526 3.333 0 50 IGAA O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@@H](c2cccc(F)c2)C1 225548804 KNBOUZBBPSWNAD-CQSZACIVSA-N 433.277 3.330 0 50 IGAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCC(c1ccccc1)c1ccccc1 263588611 WFBKHJGXLIFRJA-QFIPXVFZSA-N 431.492 3.429 0 50 IGAA COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)cc1 409414725 VMMBBINILGQGET-JOCHJYFZSA-N 429.476 3.211 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 463086680 JBNQAFUGSJDTDN-QHAWAJNXSA-N 446.469 3.395 0 50 IGAA O=C1CCN(C[C@H]2CC[C@@H]2c2ccccc2)C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)N1 1875329092 DHDYKJVWEOUTCK-GPXOXTDOSA-N 442.563 3.385 0 50 IGAA Cc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4n[nH]c(C(F)(F)F)n4)n3)cc2)cn1 2325875952 GVADLWDSAWXHNM-UHFFFAOYSA-N 444.377 3.461 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)o3)C2=O)cc1 1008096 VRTDOPTUMROQPG-ATVHPVEESA-N 427.482 3.100 0 50 IGAA COc1cc(/C=C2\SC(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O 1208199 SAGKLCCNGNALLH-PDGQHHTCSA-N 437.477 3.440 0 50 IGAA CCn1nc(C)c(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@@H](C)C3)c1C 2782250 ICYTUQYSMDNQJR-CYBMUJFWSA-N 430.574 3.431 0 50 IGAA COc1ccc(OC)c(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 4547577 WYNDWJVTCWHMGI-UHFFFAOYSA-N 425.573 3.499 0 50 IGAA COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC(NCc3ccsc3)CC2)cc1 12243209 ATHWFVLQKLNLLT-QFIPXVFZSA-N 441.597 3.213 0 50 IGAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)CCc2ccccn2)CC1=O 14732191 BDKSBYBKVFDJJH-QFIPXVFZSA-N 427.520 3.066 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)C[C@H](O)c2ccccc2)n1CCCc1ccccc1 19773493 PQYUCGZSZYMWSO-QHCPKHFHSA-N 441.597 3.475 0 50 IGAA COc1ccc2cc(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)ccc2c1 20386156 SNJNFBABNYTNOT-LJQANCHMSA-N 427.526 3.472 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)nn1C 55060614 GPMKZWQMJRPEME-IBGZPJMESA-N 435.494 3.174 0 50 IGAA O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(F)c(Br)cc1Cl 225414665 OUSOJCBWCCURLS-UHFFFAOYSA-N 428.689 3.403 0 50 IGAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 225496930 NPMNNGIVQHSFFE-UHFFFAOYSA-N 444.535 3.019 0 50 IGAA CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)cc2C[C@@H]1C 471137439 SEYQGBTUYCZAGH-NSHDSACASA-N 432.452 3.453 0 50 IGAA COc1ccc(CCN2C[C@@H](c3nnc(COCc4ccccc4)o3)CC2=O)cc1OC 1875256666 FUZJAQVFONEZKP-IBGZPJMESA-N 437.496 3.362 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(Cl)cc2)cc1OC 818434 YRRDCYQHMOVAAV-UHFFFAOYSA-N 438.933 3.175 0 50 IGAA O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1150016 QXDRUASDZUFBGF-UHFFFAOYSA-N 447.314 3.221 0 50 IGAA O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 1473122 BTYWTATZHRHYIT-UHFFFAOYSA-N 447.988 3.477 0 50 IGAA O=C(CCSc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1)Nc1ccccc1 2124176 ICTUNLLOKKAHAW-UHFFFAOYSA-N 445.551 3.220 0 50 IGAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 2801658 WXLBEZYATBPONZ-UHFFFAOYSA-N 432.889 3.481 0 50 IGAA CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 9046619 DLQWYFCQDCLDCL-HXUWFJFHSA-N 445.441 3.362 0 50 IGAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1 12111723 CUIFLNZHGRTZCM-NRFANRHFSA-N 427.512 3.351 0 50 IGAA COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CCc2scnc2C)C3)nc1 12182659 IBMXZSJROWVZJZ-QGZVFWFLSA-N 437.521 3.353 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1=O 14951741 WBNFVJAROHVTQL-QGZVFWFLSA-N 433.508 3.146 0 50 IGAA COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)CN1CCSCC1 15064866 YCVCVMKNNDRDDT-OAQYLSRUSA-N 434.577 3.221 0 50 IGAA COCc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)o1 15066087 PBHFVFDKZZEEFC-IBGZPJMESA-N 431.552 3.481 0 50 IGAA Cc1oc2cc(OCCN3CCN(CCO)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 20591783 QISMBMBZJFYXGM-UHFFFAOYSA-N 442.943 3.411 0 50 IGAA biogenic Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)[C@@H](C)C3)c12 45254824 MVPARBNSRQJBEM-HNNXBMFYSA-N 437.504 3.069 0 50 IGAA CC(C)N1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Br)cc2)OC3)CC1 169759608 VYQZEIAWNVPPBD-LJQANCHMSA-N 433.350 3.083 0 50 IGAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cc(OC)ccc3OC)C2)c1 225848921 VVEHBMIHXUWIAA-LJQANCHMSA-N 442.468 3.264 0 50 IGAA O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 436959289 CLCVUULNIHWZQR-RBUKOAKNSA-N 434.414 3.379 0 50 IGAA Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 443734321 QSHIPBRGUIUHSP-HNNXBMFYSA-N 443.974 3.202 0 50 IGAA CC(C)=CCN1CCC2(CC[C@@H](CNC3CCN(C(=O)c4cccnc4)CC3)O2)CC1 1506423937 YRPFYIFDOXMUAW-QHCPKHFHSA-N 426.605 3.256 0 50 IGAA COc1cc2ncn(CCCc3nc(-c4cnc5ncccc5c4)no3)c(=O)c2cc1OC 1875259586 MBLCDSWZWURACQ-UHFFFAOYSA-N 444.451 3.040 0 50 IGAA Cn1ccc([C@@]23CC[C@@H](C2)[C@H]3C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)n1 1875393585 PKEVLOBNYAVULV-HZUJVAHNSA-N 438.494 3.024 0 50 IGAA CC(C)(C)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 2325729294 NBOWAOVKXHTIBT-INIZCTEOSA-N 433.578 3.168 0 50 IGAA COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(C)c2oc1=O 2843643 DPFCEBNQSNRFJW-UHFFFAOYSA-N 435.476 3.089 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCc4ccccc4C3)cc2)CC1 4625756 MTLSQUNSJCQDHU-UHFFFAOYSA-N 427.570 3.104 0 50 IGAA biogenic,in-vitro Cc1cc2c(c(-c3cnccn3)c1)O[C@H](CNC(=O)c1cccc(Cn3cccn3)c1)C2 11868911 PBEVRHFXXIUOSP-NRFANRHFSA-N 425.492 3.430 0 50 IGAA CCCC(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 12242938 HNSLGXSNGIFZMX-QHCPKHFHSA-N 440.569 3.172 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N[C@@H](C)c2ccco2)c1 15006380 LLJLUVLNNBLSJT-KRWDZBQOSA-N 443.544 3.421 0 50 IGAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 16267495 FEVHZARUMNQNRZ-UHFFFAOYSA-N 439.427 3.112 0 50 IGAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1C 16527195 UUKIHCDDHMYJHB-UHFFFAOYSA-N 425.510 3.194 0 50 IGAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2C)CC1 19857257 WITVZJINOAUVGM-LJQANCHMSA-N 432.948 3.422 0 50 IGAA COC(=O)[C@H]1CCCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 55384676 GRUNDZJJWQTGBF-GOSISDBHSA-N 440.569 3.238 0 50 IGAA CCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)nnn1-c1ccc(OC(F)F)cc1 252489409 JQLGMHZBDYMFAE-UHFFFAOYSA-N 436.440 3.087 0 50 IGAA O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1CN(Cc2ccccc2)CCCO1 429012966 WGJOIRSJGQALEC-SFHVURJKSA-N 448.361 3.245 0 50 IGAA N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(NC(=O)C(F)(F)F)c2)N1)OCCCO4 917417757 YDXHYVKOCBSQRS-INIZCTEOSA-N 446.389 3.195 0 50 IGAA O=C(N=c1nc(SCc2ccccc2)[nH]s1)NC[C@H](CO)Cc1ccccc1F 1875262144 PGLCUZSUGWTFAT-OAHLLOKOSA-N 432.546 3.364 0 50 IGAA CC(=O)N1C=Cc2ccccc2[C@@H]1Cc1nc(-c2cccc(N3CCN(C)CC3)n2)no1 2325736514 HHCQMWILPNEOOM-NRFANRHFSA-N 430.512 3.000 0 50 IGAA COc1cccc([C@@H]2CN(C(=O)c3cc(Br)c4c(c3)nc(O)n4C)CCO2)c1 2325824354 ZLKQMJPWRIBIRB-KRWDZBQOSA-N 446.301 3.264 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 907942 GQWHMNWCKWWTAX-KBXCAEBGSA-N 442.537 3.314 0 50 IGAA CCN1CCC[C@H]1CNC(=O)c1cc(NC(=O)COC)c2c(c1)nc(-c1ccccc1)n2C 11880214 PDFZTIRLFWVDPJ-IBGZPJMESA-N 449.555 3.039 0 50 IGAA CCOC(=O)N1CCC(N2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 12207542 GMZYXABNOGFIPB-NRFANRHFSA-N 425.533 3.286 0 50 IGAA COc1ccc(C(=O)CCC(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)cc1 12320405 XGKFPCGRERBXPK-UHFFFAOYSA-N 437.540 3.388 0 50 IGAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(C1CCSCC1)CC2 14541851 NPGYNVMNCHHVPK-UHFFFAOYSA-N 431.602 3.218 0 50 IGAA COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cnccn4)c(C)o3)cc2)o1 14885684 ZDVOTCVNQKBVIQ-UHFFFAOYSA-N 447.451 3.362 0 50 IGAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CC=C(c3ccccc3)CC2)cc1 20202095 KEJQWNVOKRDIET-XMMPIXPASA-N 433.552 3.092 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCCCN2C)n1CCCc1ccccc1 20599288 HDVLMHMURAKUDI-OAQYLSRUSA-N 432.634 3.226 0 50 IGAA COCc1nn2c(nnc3c(=O)n(C[C@@H]4CCCO4)ccc32)c1-c1ccc(Cl)cc1 40396221 JCGQMKCQRGGNGX-HNNXBMFYSA-N 425.876 3.085 0 50 IGAA O=C1[C@H]2[C@@H](c3ccc(Br)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(F)cc1 138556713 XZEZQQOQNJLWLO-RCCFBDPRSA-N 430.277 3.124 0 50 IGAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1nnn(Cc2ccccc2)c1-n1cccc1 206649648 AVPFVRKZYHPFBT-UHFFFAOYSA-N 440.507 3.174 0 50 IGAA CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)C1 253426821 XZTMKVJIDDUPOI-SFHVURJKSA-N 441.494 3.402 0 50 IGAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CC[C@]3(C2)OCc2ccccc23)C1 474451592 ZBTRMCODYJLVBS-IQGLISFBSA-N 430.508 3.073 0 50 IGAA Cn1nc(C(=O)N=c2nc(-c3cccc(C(F)(F)F)c3)[nH]s2)cc1Br 1875315980 PJQDXZNMICDJOA-UHFFFAOYSA-N 432.225 3.394 0 50 IGAA CCc1ccc([C@H](C)C(=O)N=[S@@](C)(=O)C2CCN(C(=O)C3(COC)CC3)CC2)cc1 2332239006 TXALLXXWMQLSBV-ZOKDDAQRSA-N 434.602 3.395 0 50 IGAA CCN(CC)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 8671982 CQAILSXGLKOREC-ILSIFQBBSA-N 447.572 3.476 0 50 IGAA O=C(NC1CCCC1)c1ccc(N2CCC(N3CCCN(c4ncccn4)CC3)CC2)cc1 11913491 JXHNIZAHQYGENJ-UHFFFAOYSA-N 448.615 3.330 0 50 IGAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)[nH]c(=O)n2)C1 12438031 LKORBJRFSMAYOP-LJQANCHMSA-N 440.588 3.004 0 50 IGAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(F)cc3F)CC2)C1=O 14533150 TUDIZEQPXZIKCR-UHFFFAOYSA-N 443.494 3.410 0 50 IGAA COc1ccc2c(c1)C[C@@H](N1CCC3(CC1)C(=O)N(Cc1ccccc1)C(=O)N3C)CC2 14541813 KLYNUZSXGSNJQG-QFIPXVFZSA-N 433.552 3.481 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NCc3ccc(-n4cccn4)cc3)CCC(=O)N2)cc1 15000381 REEFYBDFHZAXIT-VWLOTQADSA-N 432.524 3.169 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCCc1ccccc1 55042034 ZDTVZZBCEYZFQU-FQEVSTJZSA-N 433.474 3.145 0 50 IGAA COc1ccc(CCN2C[C@@H](C(=O)N3CCCC[C@@H]3c3cccnc3)CC2=O)cc1OC 390826613 NVTKKEONNBLYQC-LEWJYISDSA-N 437.540 3.244 0 50 IGAA biogenic Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)nn1-c1ccc(Br)cc1 1775988830 KXHKSNNUIJFUNW-XAUMDUMWSA-N 447.377 3.302 0 50 IGAA COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)N=c2cc(C)n(Cc3ccccc3)[nH]2)C1 1875337112 UBHUTHYVAUKFIX-FCHUYYIVSA-N 432.524 3.472 0 50 IGAA CCc1cccc(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819782 PWJCCLMPAPGYLR-OXJNMPFZSA-N 428.554 3.226 0 50 IGAA O=C(N[C@@H]1CCOC2(CCS(=O)(=NC(=O)[C@@H]3CCC[C@H](F)C3)CC2)C1)c1ccco1 2332238194 FNQKOWAGJTXEBH-SPIWIOPFSA-N 440.537 3.244 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC 780472 BWUNGGOOWOYOPN-UHFFFAOYSA-N 438.933 3.397 0 50 IGAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 844682 LAIWNADNVOFEBZ-OUKQBFOZSA-N 444.538 3.307 0 50 IGAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(CCc2ccc(F)cc2)C1=S 1073508 DFAOJYNQKANGRY-IBGZPJMESA-N 429.517 3.223 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11783114 IGSQZIGDOCHDAM-VGOFRKELSA-N 433.574 3.178 0 50 IGAA COc1ccc2[nH]c(CCN(C)C(=O)c3cn(Cc4ccc(F)cc4Cl)nn3)nc2c1 12446026 GUQMILQVGYRPKV-UHFFFAOYSA-N 442.882 3.319 0 50 IGAA CC(C)S(=O)(=O)c1ncc(CN(C)CCc2ccccn2)n1Cc1ccccc1F 20538441 JJPPKCXAYIDFDF-UHFFFAOYSA-N 430.549 3.322 0 50 IGAA COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22445948 XILNRORTJVDYRH-HKUYNNGSSA-N 432.450 3.273 0 50 IGAA investigational O=C1N[C@@H]2CS[C@H](CCCCC(=O)Oc3ccc(NC(=O)c4ccco4)cc3)[C@@H]2N1 170631521 YMLXVSORCNABIJ-SZVBFZGTSA-N 429.498 3.163 0 50 IGAA COCCn1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c2ccccc21 206235502 VRDATNGXGSKWGW-OAQYLSRUSA-N 432.480 3.097 0 50 IGAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H]1c1ccc3c(c1)OCCCO3)C2=O 239402697 RBEQWSNQINJYAJ-YLNUKYHNSA-N 441.528 3.012 0 50 IGAA O=C(COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1)NCCO 253432986 QNOWSACNTSDCKZ-DEOSSOPVSA-N 443.503 3.165 0 50 IGAA Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)Nc1cccc2ccccc12 818194214 BKRNMPCXDDUHAE-FYJGNVAPSA-N 431.427 3.454 0 50 IGAA COc1cc(C(F)(F)F)ccc1C(=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 1875253485 IHEMVUSASWQMBO-UHFFFAOYSA-N 442.459 3.277 0 50 IGAA COC[C@@H]1CN(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)C[C@H]1c1cnn(C)c1 1875333917 PRWJTQWSJPOFRT-YWMUFLPLSA-N 427.524 3.054 0 50 IGAA Cn1cc(I)c2c(NC3CCN(Cc4ccccn4)CC3)ncnc21 1875334779 DWAWNDRNDZKYMW-UHFFFAOYSA-N 448.312 3.044 0 50 IGAA CC(C)(CC(=O)N1CCCC[C@@H](Cn2cc(Cn3cccc3C(=O)O)nn2)C1)C1CC1 1875355720 OFMIMQNQNZAPID-QGZVFWFLSA-N 427.549 3.281 0 50 IGAA Cn1ccnc1C[C@@H](NC(=O)N1CCN(C2Cc3ccccc3C2)CC1)c1ccccc1 2325738048 HEWNWAOCDMTHFI-XMMPIXPASA-N 429.568 3.199 0 50 IGAA C[C@H](NC(=O)[C@H](O)Cc1c(F)cccc1Cl)[C@@H](O)c1ccc(Br)cc1 2325741331 UYDDGLHNQDISPC-LZVXQISVSA-N 430.701 3.383 0 50 IGAA O=C(N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)c3cc4ccccn4c3)C2)C1)[C@@H]1CCC(F)(F)C1 2332238215 GHAGQPMNCBJMLP-YESZJQIVSA-N 449.523 3.461 0 50 IGAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc(Br)c1O 725548 IXEPRGVRSDMYPQ-HNNXBMFYSA-N 427.295 3.381 0 50 IGAA COc1ccc(CCNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 1120044 VQXNLYJUWUJCSU-UHFFFAOYSA-N 426.542 3.031 0 50 IGAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)CCn1ccnc1C)CC2 14753547 FDPXLXGUOKCWEN-UHFFFAOYSA-N 449.555 3.173 0 50 IGAA Cc1nc(-c2cc3ccccc3nc2N2CCN(C(=O)COc3ccccc3)CC2)no1 21792855 MWIWLDMZCTXNJL-UHFFFAOYSA-N 429.480 3.321 0 50 IGAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@H]2c1ccc(F)cc1 136408520 AIYWZKPBBLQASD-OKZBNKHCSA-N 430.277 3.124 0 50 IGAA COc1cc(OC)cc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 169775753 MOBAVIUNUUCTCU-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA CC(C)N(CCOCCNC(=O)[C@@H](C)Oc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1 170607629 BXGDCTBPTQFFJZ-NHCUHLMSSA-N 442.556 3.291 0 50 IGAA COCCN(c1nc2ccccc2s1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 328594129 SSHOIWNQXAVRRX-UHFFFAOYSA-N 432.502 3.463 0 50 IGAA CC(CC(=O)N1CCCc2n[nH]cc21)(CC(=O)N1CCCc2n[nH]cc21)c1ccccc1 447572512 CIBIVAVNXUTCAZ-UHFFFAOYSA-N 432.528 3.130 0 50 IGAA CN1C(=O)CCc2cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)ccc21 753754719 NRLNADVKMMQPGI-AREMUKBSSA-N 441.487 3.399 0 50 IGAA O=C(CCN1C(=O)S/C(=C/c2cccs2)C1=O)OC1CCN(c2ccncn2)CC1 1875252227 BXGSZBLIMNAHHG-FOWTUZBSSA-N 444.538 3.177 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(N)=O)c1cccc(F)c1 1875317854 KPWXQIIKYWQQSS-PZJWPPBQSA-N 441.503 3.393 0 50 IGAA Cc1cc(Cl)cn2cc(CNC(=O)CCC(=O)Nc3nnc(CC(C)C)s3)nc12 2325823047 CSTRKNUPGQDCCI-UHFFFAOYSA-N 434.953 3.381 0 50 IGAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3F)cc2)n1 6229109 AHNFHGGCLUIVBR-HNNXBMFYSA-N 444.488 3.439 0 50 IGAA O[C@H](COc1ccccc1CNCc1cc2cc(F)ccc2[nH]1)CN1CCSCC1 12385757 LMSILBOCXJVHLB-NRFANRHFSA-N 429.561 3.385 0 50 IGAA O=C1CN(C/C=C/c2ccccc2)C[C@H](OCc2ccccn2)CN1CC1CCOCC1 14732489 MWNNLOIDEDXXDG-QLUGYHCRSA-N 435.568 3.251 0 50 IGAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169780583 JIYFRHSMOZAUDH-CYBMUJFWSA-N 442.907 3.490 0 50 IGAA CSc1ccc(C[C@]2(CCC(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CCC(=O)N2)cc1 244595045 DNRCXNKXLZYRNL-JSUSZBTRSA-N 442.625 3.436 0 50 IGAA Cc1ccc(Cc2noc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)n2)cc1 263617082 LZLMHXDBUBKSLX-UHFFFAOYSA-N 445.454 3.125 0 50 IGAA O=C([C@H]1CC=CCC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 299774757 HVMXONCYZADEJK-GMAHTHKFSA-N 439.575 3.455 0 50 IGAA CCOCCOc1c(Cl)cccc1NC(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 488349986 CXFXGZGDPVZPEM-GNWTVXCBSA-N 432.948 3.386 0 50 IGAA Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)c2cc(O)c3ccoc3c2)Cc2ccccc21 1875361203 QCSJDNCYOVAICF-QGZVFWFLSA-N 430.464 3.340 0 50 IGAA CN1c2ccccc2[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CS1(=O)=O 2325819867 SNKWFLJAJKGRTM-BBWFWOEESA-N 435.343 3.190 0 50 IGAA COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 652116 GRTICZMPTGOUIQ-UHFFFAOYSA-N 442.497 3.164 0 50 IGAA Cc1ccc(OC[C@@H](O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 1135667 YIPCOENBIULYCK-INIZCTEOSA-N 428.348 3.126 0 50 IGAA Cc1nn(CCCn2c(SCC(=O)NC3CC3)nc3ccccc3c2=O)cc1Cl 2733933 YARWSVFYIKQQLN-UHFFFAOYSA-N 431.949 3.016 0 50 IGAA C=Cc1ccc(C(=O)N2CC(=O)N(CC3CCOCC3)C[C@H](OCc3cccnc3)C2)cc1 14530358 XNLOPSLRURTGEK-DEOSSOPVSA-N 449.551 3.021 0 50 IGAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCN2C[C@@H]3CC[C@@H]2C3)CC1 101053745 OTFOCALPPAEXNE-FYYLOGMGSA-N 449.599 3.492 0 50 IGAA CC[C@H](C(=O)NCCn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O)c1ccccc1 169780209 GKUPMLGLOHAAKK-NRFANRHFSA-N 430.508 3.482 0 50 IGAA CS(=O)(=O)N1CCc2cc(-c3csc(Cc4nnc5n4CCCCC5)n3)ccc21 170052372 NEFGIGCONPSHRN-UHFFFAOYSA-N 429.571 3.041 0 50 IGAA C[C@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 248382594 XMDZOVNNOUYDHX-ZFWWWQNUSA-N 445.368 3.453 0 50 IGAA CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2CC[C@H](CN3Cc4ccccc4C3=O)CC2)c1 1775942414 KEWIYZSFBMWZGK-QAQDUYKDSA-N 435.524 3.456 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccc(C)c(C)c2)C1 1857689213 JCEDWJUKGHGNMO-RMTZWNOUSA-N 427.633 3.175 0 50 IGAA COc1nc2c(cc1Cn1ccnc1-c1cccc(C)n1)C(=O)N(CCc1ccccn1)C2 1857699177 QJFQENNQGIGULA-UHFFFAOYSA-N 440.507 3.299 0 50 IGAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[C@H](c4nc(C)no4)C3)cc2)cc1 1857799281 UWKJDDSGNQTJAY-KRWDZBQOSA-N 426.498 3.117 0 50 IGAA COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1Cl 881973 LWCPIJVKBPJJOU-UHFFFAOYSA-N 446.960 3.144 0 50 IGAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)cc(OC)c1OC 1127554 HTOVSOFDRGSKOP-HNNXBMFYSA-N 442.379 3.128 0 50 IGAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 5706618 YZFYPHPNSMINOZ-SFTDATJTSA-N 437.496 3.375 0 50 IGAA Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccc(F)cc1 9264557 PUMGGXDMVFSMPE-UHFFFAOYSA-N 427.505 3.189 0 50 IGAA CCc1cccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c1 12413506 HSXZGMYDVHEIKC-UHFFFAOYSA-N 428.492 3.365 0 50 IGAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1ccc(F)c(F)c1)CC2 14532875 DPGAZNRKTVBMFN-UHFFFAOYSA-N 431.361 3.489 0 50 IGAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCOCC1)C2 14535972 XCZQBBAVOKMJJF-OAQYLSRUSA-N 436.600 3.334 0 50 IGAA COc1cc(CNC(=O)CC[C@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc(OC)c1 14885992 GRIDCRFJVWNVBF-XMMPIXPASA-N 444.503 3.139 0 50 IGAA CCOC(=O)C1(CCOc2ccccc2)CCN(S(=O)(=O)c2c(C)noc2C)CC1 14974917 KIYMJYGETABCLC-UHFFFAOYSA-N 436.530 3.095 0 50 IGAA CCOC(=O)c1cnn(-c2ccccc2Cl)c1CN1CCC[C@H](c2nncn2C)C1 15004223 FTEBOOLOZDYXQY-HNNXBMFYSA-N 428.924 3.211 0 50 IGAA CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O 29055563 KOYXXLLNCXWUNF-UHFFFAOYSA-N 446.433 3.247 0 50 IGAA biogenic,investigational COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)O)c(OC)c1 170614190 MZWADOSWWILDEC-SFHVURJKSA-N 442.468 3.264 0 50 IGAA CC(C)Cn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)nnc1N1CCOCC1 226577428 XRCHJKMUYCNSAX-DRSNIGMVSA-N 435.638 3.194 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1ccc(-c2ccccc2)cc1 239174010 PCOVMCMQBLVGSA-FDGCDDQTSA-N 441.483 3.133 0 50 IGAA CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2c2ccccc21 245256849 UDCLCXHGTBVVFS-RABNCREUSA-N 442.515 3.324 0 50 IGAA NS(=O)(=O)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1 904490644 MHCXTPYDAZXEKF-UHFFFAOYSA-N 431.477 3.449 0 50 IGAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 952976282 MWPAMHLEUIWCHY-UHFFFAOYSA-N 425.598 3.496 0 50 IGAA O=C1[C@H](N2CCN(c3ncnc4ccsc34)CC2)CCN1c1ccccc1OC(F)F 1875260475 KZRWQASXWKWQME-MRXNPFEDSA-N 445.495 3.220 0 50 IGAA O=C(CC1CC(c2ccccc2)C1)N1CCN(CCn2cnc3ccccc3c2=O)CC1 1875329502 ZNKNHVBGOFBCNJ-UHFFFAOYSA-N 430.552 3.125 0 50 IGAA NC(=O)CCc1ccc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)cc1 2325736149 AWIKRVNKCWIADC-UHFFFAOYSA-N 430.258 3.237 0 50 IGAA CC1(C)CCN(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325901579 MAVGWETVFJPWBB-HXUWFJFHSA-N 446.507 3.167 0 50 IGAA Cc1cc(-c2ccnc(-n3ncc(C(=O)NCCCN4CCCC4=O)c3C)n2)c(C)s1 12130692 MFHIFVZHNRYEGC-UHFFFAOYSA-N 438.557 3.058 0 50 IGAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCCc2cccc(Cl)c2)c1=O 12134134 QNNNSEKGICAQIQ-UHFFFAOYSA-N 437.927 3.077 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](c3ccco3)C(F)(F)F)cc2)CC1 12580912 XDFJVVDYGKUEBN-IBGZPJMESA-N 440.418 3.329 0 50 IGAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(C2Cc4ccccc4C2)CC3)cc1 14731735 SOOYOFZPPWAUNA-UHFFFAOYSA-N 433.552 3.134 0 50 IGAA COC(=O)c1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc1 14957804 ZMKMQPACOIFTHD-IBGZPJMESA-N 430.574 3.252 0 50 IGAA CN(Cc1nccs1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 14959931 DNNOTYSIODWDHY-XMMPIXPASA-N 433.533 3.485 0 50 IGAA Nc1nn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c2cccc(F)c12 71749057 XFYKQQHJPMRJBR-UHFFFAOYSA-N 432.477 3.010 0 50 IGAA CCn1c(=O)c(Br)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 114335818 OHWBHQSNFBTBIT-UHFFFAOYSA-N 443.349 3.069 0 50 IGAA COc1ccc([C@@H]2Cn3nnc(-c4noc(CCc5cccc(OC)c5)n4)c3CO2)cc1 169769079 GMHNNJAYPZOINC-FQEVSTJZSA-N 433.468 3.402 0 50 IGAA Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)cc1Br 239432967 XAJRWMRGRYGNSD-RTYLXBGUSA-N 443.341 3.446 0 50 IGAA CC(C)CCn1c(COc2ccccc2)nnc1SC[C@H]1CCN(S(C)(=O)=O)C1 240551543 GUNQKEWIGMWJSX-KRWDZBQOSA-N 438.619 3.277 0 50 IGAA Cc1ccc(N2C(=O)[C@H]3[C@@H](SC(N)=C4C(=O)Oc5ccccc5[C@H]43)C2=O)cc1Cl 252444260 FGLUDNSHSVKZLU-ZMSDIMECSA-N 426.881 3.126 0 50 IGAA C[C@H](CNC(=O)c1ccoc1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 299781630 VMDLTPHMGHSXOE-HXUWFJFHSA-N 434.540 3.190 0 50 IGAA C[C@H]1CN(c2nc3ccccc3nc2N2CCC[C@@H](c3nnc4n3CCC4)C2)C[C@@H](C)O1 301851130 BGGHCYCPZFWMTA-FGTMMUONSA-N 433.560 3.165 0 50 IGAA O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 409413498 BHVXARYKSAECHO-NHCUHLMSSA-N 430.508 3.215 0 50 IGAA Cc1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N2C3)no1 1875242143 KHLDWBCLBOXCKF-VLQCVTHLSA-N 445.608 3.162 0 50 IGAA Cc1ccc(-c2cnccn2)cc1NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 2325743045 YCIHSIVYEPTDJH-SFHVURJKSA-N 444.539 3.127 0 50 IGAA COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cc(OC)ccc1OC 1087768 NZRSNMFGGLYYST-UHFFFAOYSA-N 429.494 3.479 0 50 IGAA O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 1165225 HRNSHIXDBQJQME-UHFFFAOYSA-N 436.489 3.384 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc2c(cc1Br)OCO2 9560018 LJOFAQPWBCXKQA-LBPRGKRZSA-N 442.331 3.352 0 50 IGAA COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12433364 WNQCOJSKRFXUSX-FQEVSTJZSA-N 442.604 3.201 0 50 IGAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2 14533267 MHIHCDNWCVRZNV-UHFFFAOYSA-N 443.507 3.377 0 50 IGAA CC(C)(C)OC(=O)C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)OC(C)(C)C 15721211 JSRFPOKYPNCYJU-MRXNPFEDSA-N 437.489 3.056 0 50 IGAA biogenic CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cnc(N3CCOCC3)s2)C1 19836582 CTXJUIPNEXTMCN-QHCPKHFHSA-N 429.586 3.368 0 50 IGAA O=C1CN(Cc2nc3ccccc3[nH]2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 19866984 DMOLTGZPEIFCNN-JOCHJYFZSA-N 441.535 3.388 0 50 IGAA COc1ccc(OC)c2[nH]c(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc12 40312945 IMVIBCVLXAHRPU-UHFFFAOYSA-N 446.507 3.194 0 50 IGAA biogenic C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 222293682 HJXNYLHTTCDXPX-IHPCNDPISA-N 433.549 3.012 0 50 IGAA CCCN(CC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H](OCC)C12CCCCC2 225255371 VSGCUWIAUWVTGD-HKBOAZHASA-N 442.666 3.252 0 50 IGAA O=C(OCC(=O)c1cccs1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239165109 NLPBVTSDDKPGTC-OPLYSGQSSA-N 433.485 3.345 0 50 IGAA Cc1cc(Br)ccc1NCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 253418124 GKZUGCNNCPBRJP-GOSISDBHSA-N 446.345 3.405 0 50 IGAA C[C@H]1C[C@H](NC(=O)NCC2(c3ccccc3)CCOCC2)c2ccsc2S1(=O)=O 460135950 ANEYWRWMYSKBEI-YJBOKZPZSA-N 434.583 3.403 0 50 IGAA Cc1cc(C)nc(-n2nc(C(=O)N3Cc4ccccc4C[C@H]3c3nnc(C)o3)cc2C)n1 489985190 YXZHQIQHYRNSBA-FQEVSTJZSA-N 429.484 3.219 0 50 IGAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C3CCN(C(=O)c4cccs4)CC3)C1)CC2 1704311245 AXNXYCNCPQPFME-QHCPKHFHSA-N 425.602 3.189 0 50 IGAA COc1cc(CN2C[C@H]3CN(Cc4ccc(Cl)s4)C[C@@]3(CO)C2)cc2c1OCO2 1772707313 VAJKMZJFXGPMEZ-YCRPNKLZSA-N 436.961 3.065 0 50 IGAA CCc1ccc(CN2C[C@H]3CN(CCn4cc(Cl)cn4)C[C@]3(CCC(=O)O)C2)s1 1772817697 VCPTXJRREYWUBE-IIBYNOLFSA-N 437.009 3.459 0 50 IGAA C[C@@H](CCN1CCCC1)NC(=O)C12CCC(C(=O)N[C@H](C)CCN3CCCC3)(CC1)CC2 2325750114 NDIXCSARWRJRIH-PJYWLYPCSA-N 446.680 3.308 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1I 640351 WUEQLRUPCQKHHS-UHFFFAOYSA-N 449.266 3.118 0 50 IGAA CNc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 658352 FQHCTPLAWAWDOI-SNVBAGLBSA-N 443.360 3.176 0 50 IGAA Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 719770 NUKDBDQFNKQCCD-UHFFFAOYSA-N 433.899 3.250 0 50 IGAA CN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)N(CCc2ccccc2)C1=S 2729271 FJEWHDMLBLXVSO-QGZVFWFLSA-N 446.370 3.448 0 50 IGAA COc1ccc(CN(C)CCn2ccnc2)cc1OC[C@H](O)CN1CCCCCCC1 11936139 YTUHGGQRTZAYLE-JOCHJYFZSA-N 430.593 3.030 0 50 IGAA CN1C(=O)C[C@@](CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)(c2ccccc2F)C1=O 12080029 HADOEJPWCQRFFA-RUZDIDTESA-N 448.498 3.125 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccccc1Cl 14965324 SIIOSSDAYNBBRY-SFHVURJKSA-N 439.865 3.366 0 50 IGAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccsc1 14968905 CAKZZRMUJOKIJD-YADHBBJMSA-N 444.564 3.456 0 50 IGAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2 15070356 GPDMNBHXPDCFPJ-LJQANCHMSA-N 449.555 3.342 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1 15915493 UENVMIFLGYOIFZ-UHFFFAOYSA-N 426.494 3.466 0 50 IGAA Cc1nc(CN2CCN(C(=O)c3cc(COc4cncc(Cl)c4)on3)CC2)cs1 19788580 OPWPBUNOYWTDDV-UHFFFAOYSA-N 433.921 3.025 0 50 IGAA CCN1CCN(C2CCN(C(=O)c3ccc(-c4ccsc4)nc3N(C)C)CC2)CC1 19837034 VDSRKOCDHUPHSH-UHFFFAOYSA-N 427.618 3.118 0 50 IGAA Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 25329234 AYBUWUNRXJXQCJ-UHFFFAOYSA-N 439.375 3.143 0 50 IGAA O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 439232647 CASFYKBUWRCHLQ-YWEHKCAJSA-N 443.591 3.404 0 50 IGAA CN(C)C(=O)[C@H]1CC[C@H](Cn2c(-c3cnccn3)cs/c2=N\c2ccc(F)cc2F)O1 1875255761 BFAIOMGQECLLFL-LCFQANRESA-N 445.495 3.153 0 50 IGAA CCc1ccc(OCc2nc(-c3cccc(S(=O)(=O)Nc4cn[nH]c4)c3)no2)cc1 1875260357 RRAAJBHONAHFLR-UHFFFAOYSA-N 425.470 3.402 0 50 IGAA Cc1cc(C)cc(-n2c(SCC(=O)N3CCOCC3)nc3c([nH]c4ccccc43)c2=O)c1 2720694 YLBCIVBWEKMVGF-UHFFFAOYSA-N 448.548 3.435 0 50 IGAA COc1ccc(CCN2C(=O)CC[C@@H]2CCNCCOc2ccc(F)cc2)cc1OC 11996958 CCCCFSKYBYJDAK-HXUWFJFHSA-N 430.520 3.435 0 50 IGAA O[C@H](COc1ccc(-c2ccc(OC[C@@H](O)CN3CCCC3)cc2)cc1)CN1CCCC1 13425554 VZXZHBUESVWXPP-ZEQRLZLVSA-N 440.584 3.025 0 50 IGAA O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)CC2 19300927 UQDBUDWUCKZIGQ-NRFANRHFSA-N 443.551 3.463 0 50 IGAA CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@@H]3CCCNC3)nc12 206084185 LSGRZENCFIIHNV-GOSISDBHSA-N 432.532 3.176 0 50 IGAA C[C@H](O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 428503524 OLGUFYREQZLDFW-SFHVURJKSA-N 438.959 3.260 0 50 IGAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)ccc1N1CCOCC1 1704355584 SAOTWNYBLCAOCI-PXDATVDWSA-N 431.536 3.055 0 50 IGAA Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-n4cccc4)cc3)CC2)n1 2325737523 UYOXHLHFPUWLAN-UHFFFAOYSA-N 430.555 3.282 0 50 IGAA COc1ccc(Br)c(-c2nnc(CCC(=O)OCCCn3ccnc3)o2)c1 2325750027 QEYIEMCGKSLUTK-UHFFFAOYSA-N 435.278 3.270 0 50 IGAA CCS(=O)(=O)N1CCC(c2ccccc2)(c2nc(Cc3cnc(C4CC4)o3)no2)CC1 2325850281 SSTBQYZOJAYQSM-UHFFFAOYSA-N 442.541 3.257 0 50 IGAA COc1ccc(Cl)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 880189 SGJPGHIIGIPECW-UHFFFAOYSA-N 434.901 3.453 0 50 IGAA COc1ccc(Cl)cc1N1C(=O)N[C@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O 2863550 KZAWCNQYFUETHD-KRWDZBQOSA-N 445.756 3.233 0 50 IGAA O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12373120 LMVGFXPRHPCGHN-JOCHJYFZSA-N 425.573 3.155 0 50 IGAA Cc1nc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)sc1C 20719048 XPMGSOMFXGYJIY-UHFFFAOYSA-N 425.440 3.072 0 50 IGAA COc1cc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc(OC)c1 65362714 PFVLRKBDFJLSSB-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN=C1c1ccccc1 100813595 DZHDHAJSPBXVPP-BHIFYINESA-N 429.520 3.062 0 50 IGAA Cc1cccc(N(C)C(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757899 STYXWXIBIRRVGE-HXUWFJFHSA-N 425.872 3.189 0 50 IGAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c(C)c1 169775723 HZIHJNDVTFBQCY-UHFFFAOYSA-N 434.471 3.114 0 50 IGAA CCc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4nc5ccccc5[nH]4)CC3)CC2=O)cc1 170636110 NFMUYIFGRLGYJG-LJQANCHMSA-N 445.567 3.259 0 50 IGAA CC(C)C[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N[C@@H](C(=O)O)C(C)C 229683812 MHLJSXLZCZTUQI-QXAKKESOSA-N 446.548 3.469 0 50 IGAA C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]([C@@H]3CCOC3)N3CCCC3)cc2F)C[C@@H](C)O1 229828385 JLEGKQUOEOXTNB-OZQHCQBDSA-N 434.556 3.062 0 50 IGAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1NC(=O)c1ccccc1F 242339107 ZEYLEKCUIJJQPI-VLCRHTCISA-N 426.488 3.388 0 50 IGAA CSCC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C 252572574 ZLEGMTFUEGZLHY-LJQANCHMSA-N 435.553 3.284 0 50 IGAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 426242755 HXVKTYDOXBKGTB-IIEJZKKVSA-N 448.394 3.380 0 50 IGAA Cc1c(C)c2cc(-c3ccc4c(O)nc(=O)n(C[C@H]5CCCO5)c4n3)c(O)c(C)c2oc1=O 1857526457 HXQQKQFGXHWWEN-CQSZACIVSA-N 449.463 3.080 0 50 IGAA C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cnn(C2CC2)c1 1875301504 LRSMUOYDNRNJAP-YVEFUNNKSA-N 437.422 3.282 0 50 IGAA COc1ccc2c(c1)OCC=CCOCCCC(=O)N[C@@]13CCC[C@@H]1N(CCC3)C2=O 1875369644 ACVSTIMSOAMRFL-XUZZJYLKSA-N 428.529 3.084 0 50 IGAA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)NC[C@@H]1CCCO1 630255 KCTQBGMRQNIUPS-HNNXBMFYSA-N 441.578 3.323 0 50 IGAA NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 1155803 QQVLBCVBLVAMMI-UHFFFAOYSA-N 430.302 3.039 0 50 IGAA CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(Br)c1 1298609 RFOTWKCUUISURV-UHFFFAOYSA-N 441.347 3.279 0 50 IGAA Cn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C(=O)NCc2ccco2)n1 2800360 UKTOZPIOPQLZQZ-UHFFFAOYSA-N 436.390 3.274 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2cccc(C)c2)sc2c1CCN(C(=O)C1(C)CC1)C2 11785269 PXJOTRCRALKNRM-UHFFFAOYSA-N 448.566 3.329 0 50 IGAA O=C(/C=C/c1ccccc1F)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 11812855 TWKYTETVHOCAOT-MHNQQFQPSA-N 448.542 3.211 0 50 IGAA COc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc2c1OCO2 12056542 JYFDIAYHYJNYAP-FQEVSTJZSA-N 438.524 3.368 0 50 IGAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 13552653 SMCDCJKEWHHGAJ-SFHVURJKSA-N 432.307 3.083 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCC1C3CC4CC(C3)CC1C4)C2 14742481 JKLVXGZXMUEGPF-WLGSGIEKSA-N 428.646 3.128 0 50 IGAA CCN(CCO)C(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 14990893 PMGXKGWGLFLNNC-UHFFFAOYSA-N 430.530 3.083 0 50 IGAA Cc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)C1=CCCCC1)C2 19595180 ZXHFPXFXEFCWGC-UHFFFAOYSA-N 431.583 3.315 0 50 IGAA O[C@@H](COc1ccccc1CNCCOc1cccnc1)CN1CCc2ccccc2C1 19774305 ABGUXXUAUFJJEN-XMMPIXPASA-N 433.552 3.048 0 50 IGAA O=C(C1CCOCC1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55071632 VMHDJWZWMZIMSY-HXUWFJFHSA-N 425.495 3.245 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 101888968 VCCWHHGUULHSED-PEYKTXOXSA-N 431.444 3.046 0 50 IGAA C[C@H]1CN(Cc2ccc(F)cc2)CCN1[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 225610140 JWAPOVIXOLWCAB-VQTJNVASSA-N 440.563 3.196 0 50 IGAA OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)ncn1 252584468 APLVRJOYADCOGV-YVEFUNNKSA-N 427.307 3.462 0 50 IGAA CC1CCN(C(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)CC1 263618798 VPRRXLMGJOLPOS-JOCHJYFZSA-N 436.556 3.265 0 50 IGAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCCN(Cc2cccs2)C1 827860736 CODOZCOJKWOGQW-ZDUSSCGKSA-N 433.883 3.363 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(C(N)=O)nc2)cc1 1875262459 KLJBDDQLYYMKCN-QHCPKHFHSA-N 432.524 3.188 0 50 IGAA C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(I)o1)[C@@H]1C[C@H]2CC[C@H]1C2 1875390239 DPMJJXCODOLJED-RGGPVXAFSA-N 443.281 3.382 0 50 IGAA COc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 8768248 GLTXTKFSVSWEKF-DLBZAZTESA-N 437.315 3.070 0 50 IGAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)C3=CCCC3)CC2)[C@H]1OCCOC 12038906 DYWGBGAGRQAIJQ-PKTZIBPZSA-N 426.557 3.270 0 50 IGAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2ccc(OC)nc2OC)CC1 12075043 LDTRHEDLRDQQML-UHFFFAOYSA-N 442.512 3.353 0 50 IGAA O=C(NCC1(N2CCOCC2)CCCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 20909762 JFTXKKJEBPSOTK-UHFFFAOYSA-N 431.968 3.135 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C2=C1C(=O)OC2 169758201 GUWXNCCTYGUUNL-QHCPKHFHSA-N 447.491 3.090 0 50 IGAA CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 170605534 UQLPRYWJIYXLTC-HNNXBMFYSA-N 428.327 3.451 0 50 IGAA C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1NCC1CCN(C(=O)c2ccccc2)CC1 225615102 YBVPPAKNYCYABQ-BWAGFHJFSA-N 445.604 3.447 0 50 IGAA Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1C 239165004 NHUGWVFTIKMUQA-ACOSIKIGSA-N 435.520 3.107 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 254578422 DSADTPFTCSHYBO-IBGZPJMESA-N 442.537 3.387 0 50 IGAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3nc(-c4ccccc4Cl)no3)C[C@@H]2O)on1 1704280191 SAGSMJGQRRVBIV-KDOFPFPSSA-N 430.892 3.071 0 50 IGAA CCOc1cccc(CN(CCO)C(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)c1 1875327208 OZWHWOCQEWOUGX-UHFFFAOYSA-N 437.544 3.135 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)N(C)C2CCCC2)c1 2325742105 WBYJISAUOUBXPW-UHFFFAOYSA-N 447.623 3.035 0 50 IGAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 2356147859 UCXJBENUWLWTIC-SANMLTNESA-N 447.583 3.344 0 50 IGAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 792498 YRAUVDAHAFUMRH-UHFFFAOYSA-N 428.341 3.106 0 50 IGAA C[C@H](C(=O)NCc1ccncc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 793311 JIMPBPRSHQTQIM-QGZVFWFLSA-N 425.510 3.345 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 907941 GQWHMNWCKWWTAX-KSSFIOAISA-N 442.537 3.314 0 50 IGAA CCCCOc1ccc(-c2nc3s/c(=C4\C(=O)N(CC)c5ccccc54)c(=O)n3n2)cc1 2673216 XQVUDSLKETWASJ-VXPUYCOJSA-N 446.532 3.281 0 50 IGAA Cc1ccc(CCNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 9211073 JGZVJYDJXMOIAT-FQEVSTJZSA-N 432.572 3.436 0 50 IGAA COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CN[C@H]2CCS(=O)(=O)C2)c1 11841675 CDMBDLHGYXQWGE-KRWDZBQOSA-N 442.537 3.204 0 50 IGAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1 12090600 JXCDERPUEKZJKE-IBGZPJMESA-N 433.508 3.305 0 50 IGAA CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)CCCCC1 12574594 UTAIOSNPFARROS-HXUWFJFHSA-N 444.572 3.249 0 50 IGAA CCOc1cc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)ccc1OC(C)=O 13766346 NQPMEOZMNQERDI-WOJGMQOQSA-N 441.896 3.343 0 50 IGAA CO[C@@H]1CCCN(C(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)C1 20537220 VCBXJUOATDFGLI-HXUWFJFHSA-N 426.561 3.146 0 50 IGAA COc1cccc(CN2CCN(C3CCN(c4ccccc4F)CC3)C[C@@H]2CCO)c1 20906798 CAOHKWDKHJCSRC-QFIPXVFZSA-N 427.564 3.372 0 50 IGAA Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1 68246554 MASKQITXHVYVFL-UHFFFAOYSA-N 432.440 3.376 0 50 IGAA in-vitro Cc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCc1cccnc1 103236129 OVFKEMNMAWPWAV-UHFFFAOYSA-N 425.489 3.358 0 50 IGAA in-vitro Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758042 ZFNJRCLFEZWIPC-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA COc1ccc([C@H](C)NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC 169768842 SYIDJCAZOJYQIR-HNNXBMFYSA-N 441.557 3.099 0 50 IGAA CC[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)cc1 225833057 ZFMFQHXOZNGWBO-IBGZPJMESA-N 441.594 3.312 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(C)=O)N4c5ccc(C)cc5C=C[C@@H]4[C@@H]3C2=O)cc1 245254856 CPRDYABZGSIJBI-WZYRSQIMSA-N 444.487 3.151 0 50 IGAA Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1ccc(Oc2ccccc2)nn1 766073366 AKFXWCYLWUZBCG-MOSHPQCFSA-N 432.415 3.444 0 50 IGAA NC(=O)c1cn(C2CN(C(=O)c3cc(-c4cccc5ccccc45)nc4ccccc34)C2)nn1 768727788 BMVBHVXVZUAIMF-UHFFFAOYSA-N 448.486 3.443 0 50 IGAA CCc1cc(C(=O)N2CC[C@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)cc(O)n1 952894590 RZUZOJRALCNFMB-IBGZPJMESA-N 433.390 3.141 0 50 IGAA O=C(c1cccc2c1NCCC2)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@]2(CO)C1 1772808346 NTMIDTUKUZPJGR-AOMKIAJQSA-N 431.989 3.326 0 50 IGAA COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2nc(Cc3ccc(F)cc3)no2)cc1 1875261156 JQFIQYBZSMTWNP-BLMSOEDDSA-N 439.443 3.069 0 50 IGAA COC(=O)c1cc(=NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)[nH][nH]1 1875322993 QZGPFMLTAREQKB-UHFFFAOYSA-N 432.436 3.103 0 50 IGAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc(CO)o2)[C@@H](C)C1 2325829874 UXWXVDNDUSQQDN-STQMWFEESA-N 441.311 3.219 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 866598 KEMFTAZHSJYVEM-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 1133995 ABLDCDLBGBHPPR-UHFFFAOYSA-N 439.541 3.183 0 50 IGAA COc1ccc(CN(C)Cc2nc3ccccc3[nH]2)cc1OC[C@@H](O)CN1CCCCC1 11664569 MBFNWWLKOYYCLV-FQEVSTJZSA-N 438.572 3.429 0 50 IGAA Cc1n[nH]c(C)c1CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 12300923 YLRNTKBKCXGMRH-UHFFFAOYSA-N 429.590 3.333 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC(C)CC3)c2)CC1 13426683 GBLCYKILMDJGLR-UHFFFAOYSA-N 435.011 3.181 0 50 IGAA CC(=O)c1cccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 14153881 JJNLWKNWDITBES-UHFFFAOYSA-N 439.331 3.365 0 50 IGAA O=C1CCC(CCC(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)=NN1 15069999 UMUAWWUBDSNLRX-IBGZPJMESA-N 446.551 3.368 0 50 IGAA O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1 20029136 VMWSSHLPOKCYIQ-GOSISDBHSA-N 433.346 3.125 0 50 IGAA Cc1c(C(=O)NCCN2CCOCC2)sc2ncnc(N[C@H](C)c3cccs3)c12 20166281 VMSPETAUYPCIHB-CQSZACIVSA-N 431.587 3.296 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc4cc(OCC)ccc4n3)C2)CC1 20387637 JAXBGFKKORKKPZ-OAQYLSRUSA-N 426.561 3.372 0 50 IGAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55182679 ZEWRRJNDVDFXIK-IBGZPJMESA-N 437.437 3.194 0 50 IGAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 170623201 QLVSFRKMADKHQU-JOCHJYFZSA-N 425.435 3.097 0 50 IGAA O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 225766642 TULIWUOUFAKZAJ-RGCFKVTRSA-N 428.554 3.356 0 50 IGAA Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H](CO)c4ccccc4)c12)OC(C)(C)CC3 253396175 AVRRHLGYUMKVGV-GOSISDBHSA-N 437.492 3.434 0 50 IGAA biogenic O=C(NCc1ccc2nsnc2c1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 1875326164 CNIGEIXTTXKYDS-UHFFFAOYSA-N 436.541 3.300 0 50 IGAA CC1(C)Cc2ccccc2N(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325901488 IFWURUWBNIFRPI-HXUWFJFHSA-N 446.507 3.068 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1 754833 QIPSUZNNASKBCV-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA Cc1ccc(N([C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)cc1 1057101 ZRLHABSYBNZXAQ-KRWDZBQOSA-N 435.977 3.152 0 50 IGAA Cn1c(=O)c2c(nc(SCc3cccc(F)c3)n2Cc2ccccc2F)n(C)c1=O 1076104 OEUOFKREKNIHSU-UHFFFAOYSA-N 428.464 3.053 0 50 IGAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCCc3ccccc3)cc2)CC1 12439479 HKULQWYCHCEKRX-XMMPIXPASA-N 440.584 3.034 0 50 IGAA CC(C)CN1C[C@@H](C(=O)NC[C@@H]2CCCO2)C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14747728 XWPMPUABPKFBQV-XJUOHMSHSA-N 427.589 3.003 0 50 IGAA CCCOc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 16361554 NIZPZCWLAFSGGJ-HNNXBMFYSA-N 427.295 3.438 0 50 IGAA CCOc1cc(CN[C@H]2C[C@@H](C(=O)NC)N(Cc3cccc(Cl)c3)C2)ccc1OC 23359848 MJKKDDLBMXBRLD-PMACEKPBSA-N 431.964 3.226 0 50 IGAA NC(=O)[C@H]1CCCN1Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 170609138 GYWJPKJGHGMRSI-QGZVFWFLSA-N 428.341 3.244 0 50 IGAA Cc1cc(C)n(Cc2cccc(-c3noc([C@](C)(O)CN4Cc5ccccc5C4=O)n3)c2)n1 225508831 SNMAFDOWSRNKNZ-RUZDIDTESA-N 443.507 3.462 0 50 IGAA C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1NCC1CCN(C(=O)c2ccccc2)CC1 225615046 YBVPPAKNYCYABQ-NYVOZVTQSA-N 445.604 3.447 0 50 IGAA CCOC(=O)Oc1c(OC)cc(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc1OC 823246050 SYJVCZCLOBRFIZ-UHFFFAOYSA-N 447.517 3.215 0 50 IGAA COCCc1nc(CN2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)no1 952894454 RAHUIMUGJABJQW-GOSISDBHSA-N 441.385 3.154 0 50 IGAA O=C(NC[C@@H]1CCCN1C(=O)[C@@H](O)c1cc(F)cc(F)c1)c1cc(Cl)c(Cl)[nH]1 2325849840 BWPVFBADQMYZEA-WFASDCNBSA-N 432.254 3.054 0 50 IGAA Cc1cc(F)c(S(=O)(=O)N=[S@@]2(=O)CCCN(C(=O)[C@H]3CCC3(C)C)CC2)cc1F 2332238728 JNTKNAFWXPZGRI-GMYLUUGSSA-N 448.557 3.098 0 50 IGAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 1133641 IRSQBARCTFWDKG-UHFFFAOYSA-N 442.468 3.431 0 50 IGAA CCOC(=O)N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2Br)CC1 2848318 RCKKDMOOKOAYHI-UHFFFAOYSA-N 427.339 3.426 0 50 IGAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(F)cc2)cc1 6244945 UERIMXUZBQTYAH-UHFFFAOYSA-N 443.500 3.131 0 50 IGAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1 12198609 XXLCOVPJLQOUIV-HSZRJFAPSA-N 428.621 3.359 0 50 IGAA CC(C)(C)OC(=O)N[C@H](CCCC1C(=O)OC(C)(C)OC1=O)C(=O)OCc1ccccc1 15777651 XJSJPXBZBYGMGI-QGZVFWFLSA-N 449.500 3.246 0 50 IGAA CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 170617672 RTVQJXWUCJZCCC-MSOLQXFVSA-N 426.460 3.339 0 50 IGAA COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)CCC(C)C)CC3)C2=O)c1OC 299768694 OSHXHQFOSVDTLP-XMMPIXPASA-N 445.560 3.189 0 50 IGAA Cc1noc2nc3c(c(C(=O)N4C[C@H](O)[C@H](Cc5ccnc6ccccc56)C4)c12)CCC3 1704350014 JTPUDTWAGROPTH-IERDGZPVSA-N 428.492 3.244 0 50 IGAA O=C(N1CC[C@H](n2cnc3ccccc3c2=O)C1)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 1875308988 LNGKAXJCKSJQFH-BERHBOFZSA-N 442.563 3.472 0 50 IGAA CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)C1 2325725416 OSSFVDCSBDCGHH-LJQANCHMSA-N 444.560 3.480 0 50 IGAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1C 2879756 BIMKNTXKLMNKPO-QGZVFWFLSA-N 431.558 3.235 0 50 IGAA CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2984589 MJMSSNJAVCCMBH-UHFFFAOYSA-N 442.287 3.386 0 50 IGAA CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(C)Cc3ccccc3)ccc2c1=O 4791241 QLDVRSAYMOPQHU-UHFFFAOYSA-N 436.556 3.132 0 50 IGAA O=C(Nc1nccs1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 6270554 ZRKCUUQAWKLQTM-UHFFFAOYSA-N 442.522 3.323 0 50 IGAA CCOc1ccc(NC(=S)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(CC)cc2)cc1 9971146 WVIDZEUATIDKLQ-FQEVSTJZSA-N 440.569 3.174 0 50 IGAA O=C1CC[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccc(Cl)cc1 11812985 ZIGVXODZVMKBJI-IBGZPJMESA-N 445.991 3.125 0 50 IGAA COC(=O)[C@@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1 12595142 BZEUANHDTBUZBS-QFIPXVFZSA-N 436.508 3.111 0 50 IGAA CCn1cc(C(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)cn1 12762318 GJXMWDFQEQYGJJ-UHFFFAOYSA-N 425.468 3.360 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(O[C@@H](C)C(=O)OCC)cc1 16361879 DHLBDASZBHUOFY-BTYIYWSLSA-N 438.480 3.345 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(Cc4cc(C=O)ccc4OC)CC3)c2c1 22752886 QKPSZJIIJYKERL-UHFFFAOYSA-N 436.508 3.331 0 50 IGAA biogenic,in-vitro Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)cc1C 169781383 INGZUIPHPMCJNG-UHFFFAOYSA-N 429.524 3.276 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3ccn4C)CC2)cc1 170622253 IFNHGLROGQPTSZ-UHFFFAOYSA-N 427.526 3.226 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)cc1 735825216 RUKOIMAWIBDNCO-UHFFFAOYSA-N 434.496 3.267 0 50 IGAA Cn1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(N3CCCCC3)cc2)cn1 1875339083 VOLTYGUDKQHOQU-UHFFFAOYSA-N 429.528 3.389 0 50 IGAA Cn1nccc1[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C(=O)O 2325876584 ZWCKOSXAMQHUPJ-CQSZACIVSA-N 434.212 3.076 0 50 IGAA COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 729371 YJAMUJLSPNXTCC-UHFFFAOYSA-N 439.464 3.123 0 50 IGAA COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3cccnc3)C(=O)[C@@H]12 842040 YFQQDGIOGNNYHE-XDJZYPBNSA-N 440.499 3.247 0 50 IGAA CC[C@H]1CCCCN1C(=O)Cn1c2ccc(OC)cc2c2nc3n(c(=O)c21)CCS3 1427778 ICAQBJFZXJEZQW-AWEZNQCLSA-N 426.542 3.257 0 50 IGAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1Cl 8951847 JVHUELKOHHQLTM-UHFFFAOYSA-N 447.738 3.370 0 50 IGAA C[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)CC2)C1 12243496 DAPIBBVQPAOFTQ-GOSISDBHSA-N 446.551 3.353 0 50 IGAA O=C([C@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1)N1CCOCC1 12573009 HPWQLVIBMSVPPC-QFIPXVFZSA-N 446.551 3.321 0 50 IGAA CCc1ccc(CN2CCC(Oc3cc(C(=O)NCCN(C)C)ccc3OC)CC2)o1 12718683 KXZZMOSNWILXGF-UHFFFAOYSA-N 429.561 3.185 0 50 IGAA COc1ccc(OC)c([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)O)c1 13533207 LSSWKNBHPHCVBE-SFHVURJKSA-N 442.468 3.264 0 50 IGAA COCCCn1cnc2sc3c(c2c1=O)CC[C@H](N1CCN(c2ccccc2)CC1)C3 14971752 FKBJJPQFDXSSKY-IBGZPJMESA-N 438.597 3.174 0 50 IGAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16651939 PQEXSEOUBAXXEN-UHFFFAOYSA-N 442.368 3.247 0 50 IGAA COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3cccc(NC(C)=O)c3)c2C)cc1 39455448 JSERHCOPBJAROP-AWEZNQCLSA-N 428.514 3.187 0 50 IGAA CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 136381125 ALXLLOQTGLPCFG-IMDCKVJKSA-N 445.519 3.140 0 50 IGAA biogenic CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N([C@H](C)c3ccc(Br)cc3)C[C@@]23C=C[C@H]1O3 169713285 DDFQFNJRRUYFJF-VJPUPKIGSA-N 434.330 3.491 0 50 IGAA Cc1cn2nc(-c3nc([C@H]4CCCN(C(=O)c5ccc(Cl)cc5)C4)no3)cc2c(=O)[nH]1 169768880 DHTBXKITSSMQAW-AWEZNQCLSA-N 438.875 3.054 0 50 IGAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 238202598 GBFSKJHQVYXTEP-CYBMUJFWSA-N 436.365 3.099 0 50 IGAA Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC[C@]3(O)CCN(C)C3)cc12 1875260513 SRQRVMIJOFCJJE-LJQANCHMSA-N 438.475 3.211 0 50 IGAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1Cc2cc(Br)ccc2O1 1875343984 ARSFXRNOLFXIOM-YOEHRIQHSA-N 437.359 3.385 0 50 IGAA COc1cc(C(=O)N2CC[C@H](CN(C)C(=O)c3cc(Cl)nc(Cl)c3)C2)cc(C)n1 1875383444 UYBFUVMVBRWTTQ-CYBMUJFWSA-N 437.327 3.335 0 50 IGAA COc1cccc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)[C@@H]3CCOC4(CCC4)C3)CC2)c1 2332238937 QHCLNVIEYAGIGA-WTPASJBYSA-N 448.585 3.274 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[C@H]1CCCO1 1071205 JRWYFCSVHUGWGD-BZQUYTCOSA-N 430.460 3.038 0 50 IGAA COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccccc1OC 1120281 KHLRMVOWXMLNOY-UHFFFAOYSA-N 437.492 3.460 0 50 IGAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)c1cc3ncccn3n1)C2 12078437 YNKYLCLAWCDSET-KRWDZBQOSA-N 442.475 3.225 0 50 IGAA CCOC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccccc3)c(C(=O)OC)sc2n1 39421316 UCRDIXVSNUXFDC-UHFFFAOYSA-N 441.509 3.330 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)CC1 58085804 OVTXOMMQHRIKGL-NHCUHLMSSA-N 429.586 3.107 0 50 IGAA CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1 169772981 JJFJCEDCHQKHMT-SECBINFHSA-N 449.334 3.121 0 50 IGAA CCOCN(C(=O)CN1CCN(C(=O)c2ccc(O)cc2)CC1)c1c(C)cccc1CC 170598215 JDQQZOQZTHUTHH-UHFFFAOYSA-N 439.556 3.048 0 50 IGAA CC(C)[C@@H](C(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 248340581 VAQARYNIEZMZRC-BXEPQMNJSA-N 440.540 3.278 0 50 IGAA COc1ccc([C@@H](NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)C(C)C)cc1OC 252570649 XBPHKMZVJKOMJZ-UTKZUKDTSA-N 425.485 3.307 0 50 IGAA C[C@]1(c2ccc(F)cc2)CCN(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)C1 483157822 LDSLINVLYVSWGY-DEOSSOPVSA-N 425.504 3.171 0 50 IGAA CN1C[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1=O 726538080 WEDBQYHLWRUGRV-CQSZACIVSA-N 425.286 3.020 0 50 IGAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)c2cccc(C)c2C)CC3)CC1 11909649 NCIJTGYNABXYAH-NRFANRHFSA-N 441.572 3.283 0 50 IGAA Cc1cc(C(=O)N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n(C)n1 12058261 QFBGKPFWHMSYMV-UHFFFAOYSA-N 434.544 3.364 0 50 IGAA COc1ccccc1[C@]1(CC(=O)N2CCC[C@H](c3ccccc3C)C2)CC(=O)N(C)C1=O 12451606 QFONGCZUIQFAPF-AFMDSPMNSA-N 434.536 3.426 0 50 IGAA COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4nc5ccccc5n4C)CC3)C2=O)cc1 14538096 SOXAJIOXDGFBRT-UHFFFAOYSA-N 447.539 3.011 0 50 IGAA O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)N1 14879405 UNXHEXDYZAVKRQ-VWLOTQADSA-N 437.515 3.208 0 50 IGAA O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225407392 ALZOIYVVWPBNLY-PMACEKPBSA-N 429.446 3.194 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 229902149 WZTBGUAXFBSKAK-BOCITWAFSA-N 441.462 3.410 0 50 IGAA Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)c(C)s2)n[nH]1 1506423890 YMXPSZNHCSLULU-OAHLLOKOSA-N 442.570 3.366 0 50 IGAA O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCc1nnnn1-c1ccccc1 1772500478 GAPFWLVAVYCFKL-UHFFFAOYSA-N 444.539 3.275 0 50 IGAA NCc1nc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)co1 1857706284 ONEDQMVMQUJPSS-HXUWFJFHSA-N 426.561 3.235 0 50 IGAA CCn1cc(C(=O)N(CCCNC(=O)Cc2ccnc(F)c2)Cc2ccccc2)c(C)n1 1875327409 VGEAVQIKZHDAKI-UHFFFAOYSA-N 437.519 3.137 0 50 IGAA Cc1nc2ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)cc2s1 1875350527 QPEPRAAJQFGKRN-UHFFFAOYSA-N 425.329 3.415 0 50 IGAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NN4CCOCC4)cc3n2)s1 1056407 MJRGUSZXLBVNCX-UHFFFAOYSA-N 425.436 3.016 0 50 IGAA CCOC(=O)c1c(CSC(=N)N)n(C)c2cc(Br)c(OC(C)=O)cc12 3878285 WVVNFQKEGWCRFU-UHFFFAOYSA-N 428.308 3.169 0 50 IGAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3ccccn3)C2)c(OC)c1 11665342 MONFCKPGHDUYEP-LJQANCHMSA-N 439.556 3.367 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CSc2nncn2C)CC1 12031068 AMDWLFHYFYMPRM-UHFFFAOYSA-N 430.574 3.102 0 50 IGAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1ccc3[nH]cnc3c1)CC2 14532539 WUULKIYGPXPWRR-UHFFFAOYSA-N 435.406 3.087 0 50 IGAA CCN1C(=O)C[C@@](CC(=O)N(C)C[C@@H]2CCCCO2)(c2cccc(C(F)(F)F)c2)C1=O 14953484 BXAOBPRRDZRVID-UWJYYQICSA-N 440.462 3.140 0 50 IGAA N=C1NC(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)S1 15769788 GHUFGLWLUPUWIT-ZROIWOOFSA-N 439.312 3.355 0 50 IGAA Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c(=O)c2ccccc21 19148701 HREOYGLSWSZPSA-OAHLLOKOSA-N 430.430 3.351 0 50 IGAA COC(=O)c1sc2nc(CN3CCOCC3)ccc2c1NC(=O)Cc1ccccc1F 20256402 DQFSSSSFJHXDCI-UHFFFAOYSA-N 443.500 3.235 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@H]54)[C@H]23)c(OC)c1 245255102 FNOJKBLDTYSVEE-SPQZOZQISA-N 446.503 3.495 0 50 IGAA Cc1ccc(-c2nc3sc(=Cc4ccc(I)cc4)c(=O)n3n2)cc1 254874324 UVJNQSCQXAYKHE-UHFFFAOYSA-N 445.285 3.279 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 263587287 FEXUYIURTHKPTA-QUCCMNQESA-N 428.577 3.215 0 50 IGAA C[C@]1(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)NC(=O)N(Cc2ccsc2)C1=O 299772452 YDQQKOLQDVZTMD-HSZRJFAPSA-N 449.536 3.054 0 50 IGAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)c12 427989871 BMXJFXUFUCXANF-PUWUWMGYSA-N 427.504 3.437 0 50 IGAA O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)NC[C@@H](CO)Cc1c(F)cccc1Cl 1875262108 ZVDSFWOTQAXHIY-QKKBWIMNSA-N 448.922 3.145 0 50 IGAA C[C@H]1NC(=O)O[C@@]12CCN(c1nnc(-c3n[nH]c4ccccc34)n1Cc1cccs1)C2 1875322585 XQBHIXPCXSTHMZ-LRTDBIEQSA-N 435.513 3.008 0 50 IGAA Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)CN(C(=O)c1c(F)cccc1Cl)C2 1875326424 AVRMZNZRMRMESR-UHFFFAOYSA-N 425.291 3.244 0 50 IGAA Cc1nc2ccc(C(=O)N3CCCCN4CCCC[C@H]4CC(=O)NCCC3)cc2nc1C 2100533180 DLVXBDCBIRZYCN-NRFANRHFSA-N 437.588 3.234 0 50 IGAA Nc1ncc(C(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1Cl 2325725107 AGHYALBHDIQGRO-IEBWSBKVSA-N 428.920 3.484 0 50 IGAA CC1(C)C[C@@H]1C(=O)N1CCC[S@@](=O)(=NC(=O)c2csc(N3CCCCC3)n2)CC1 2332238467 AMYRCMRMKFGAJL-HOLBHBGLSA-N 438.619 3.020 0 50 IGAA O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccc(Br)cc2Cl)CC1 1121143 WZWGMJWGMSRZSM-AWEZNQCLSA-N 432.771 3.123 0 50 IGAA Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 1132309 ZDJVAAVACWKDHV-UHFFFAOYSA-N 449.458 3.495 0 50 IGAA O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 2810697 XATDWRDZYFADNY-UHFFFAOYSA-N 443.352 3.043 0 50 IGAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCN4CCCCCC4=O)C3)C2)c1 11704201 IMLHQTYJLHYUPC-RUZDIDTESA-N 427.589 3.302 0 50 IGAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)s3)cc(-n3cnnn3)c2)C1 14998844 ZIBBXXHEMQENOP-HNNXBMFYSA-N 425.514 3.115 0 50 IGAA COc1c(C(=O)Nc2ccccc2)cc(S(=O)(=O)N2CCCCC2)c(OC)c1OC 16488617 SCKBKZVFPRQKDQ-UHFFFAOYSA-N 434.514 3.139 0 50 IGAA O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N(CC1CC1)C[C@@H]1CCCO1 20598290 YMLRFKPAUBVQFC-QFIPXVFZSA-N 438.572 3.024 0 50 IGAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCCN4CCOCC4)cc3n2)cc1 22108114 YESORFYWWZLICN-UHFFFAOYSA-N 447.461 3.176 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)nc1 72434146 DENNBJSQPZIKOU-UHFFFAOYSA-N 444.948 3.088 0 50 IGAA CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCCC[C@@H]2CCO)c1=O 299786310 WQGSMGUUMBGKLF-LJQANCHMSA-N 431.577 3.116 0 50 IGAA CC(C)c1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccccc2n1 916477020 XSIZEXYRYWEIQW-UHFFFAOYSA-N 448.548 3.265 0 50 IGAA COC(=O)C1=CN(CCc2ccccc2)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 781141 ZZQCUPAYEOQLEL-UHFFFAOYSA-N 437.492 3.460 0 50 IGAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)COc1ccc(Br)cc1 1160030 ZVBVGADKNFXLQV-UHFFFAOYSA-N 439.287 3.048 0 50 IGAA COCCCNC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCCC2 2668421 HWEQNADHYXLEEI-UHFFFAOYSA-N 432.542 3.419 0 50 IGAA O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1ccc(Cl)s1 2868637 JIMSHFDHLGFORG-AWEZNQCLSA-N 433.654 3.419 0 50 IGAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)Cc4ccsc4)CC[C@@H]32)cc1OC 12158781 JJOBFYMJDCNJMJ-UXHICEINSA-N 442.581 3.390 0 50 IGAA CSc1nnc(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1-c1ccc(F)cc1 12247306 YGRRTSLVXXBLGV-UHFFFAOYSA-N 439.516 3.228 0 50 IGAA COCCN1CCC[C@H](CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)C1 12459429 DJDRPFWTCANWEN-HXUWFJFHSA-N 447.620 3.035 0 50 IGAA CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1F 13495495 CVUNWJNWUCCACO-UHFFFAOYSA-N 429.473 3.350 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCCc2cccc(F)c2)c1=O 15071618 MVJHTVAPUBDMBH-UHFFFAOYSA-N 439.487 3.131 0 50 IGAA CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCC(C)CC1 16652104 LWYOBPKTCTZYBY-UHFFFAOYSA-N 447.582 3.180 0 50 IGAA COc1ccc(CN(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cncn1 22851245 ZSQYZMFUTMPAGB-DEOSSOPVSA-N 431.584 3.399 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101889984 GBHRMHTUHMCRIN-RZTYQLBFSA-N 433.460 3.270 0 50 IGAA COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 137798018 ZLIJLRZZUHFMRB-YTFSRNRJSA-N 446.459 3.461 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1cccs1 239173994 PBQPCELQWIIZJM-OVXKCMKSSA-N 433.485 3.345 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239439345 ZUGPJBNNTFSREC-OVMLJTRSSA-N 436.508 3.025 0 50 IGAA Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@H]3C2=O)c1 245246148 JMSSBGGAUVLRLI-IPRDPGLQSA-N 435.911 3.388 0 50 IGAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(N3CCOCC3)c3ccc(Cl)cc3n2)C1 299755677 CQTSXPKQRZYTGX-QGZVFWFLSA-N 445.995 3.200 0 50 IGAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cn2c(n1)SCC2 299774242 FIXLWWRQOMHRIU-HNNXBMFYSA-N 434.949 3.042 0 50 IGAA NC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 752650007 ZAAUDXCEKZJFLY-SANMLTNESA-N 429.520 3.331 0 50 IGAA O=C(N1CCC(S(=O)(=O)c2ccccc2)CC1)C1(OCc2ccccc2)CCOCC1 1875315113 IZNKKZCWQQHGKQ-UHFFFAOYSA-N 443.565 3.217 0 50 IGAA CCOc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1 889691 ZGXLKVYNFPDODL-UHFFFAOYSA-N 439.537 3.300 0 50 IGAA COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1Br 955878 DQHNFGMWTPJUMX-KRWDZBQOSA-N 441.289 3.372 0 50 IGAA O=C(NCc1ccco1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 11881758 FIIGBDBGACECKP-SFHVURJKSA-N 444.491 3.004 0 50 IGAA Cc1c(C(=O)N2CCCC[C@@H]2CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 11974792 FMZCAJMWWHZFOH-OAHLLOKOSA-N 440.525 3.328 0 50 IGAA COC[C@H](C)NC1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 12242902 SOFFQVLMYUUKAO-IBGZPJMESA-N 427.564 3.320 0 50 IGAA COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)c1 12291640 OFABUOFVAURICK-RLFYNMQTSA-N 428.794 3.453 0 50 IGAA COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(CC(C)(C)C)CC2)C1=O 14537381 YOEQICZQUIDKCV-UHFFFAOYSA-N 431.577 3.029 0 50 IGAA Cc1ncsc1CCC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 15069802 INJTWWRWDFNFPW-LJQANCHMSA-N 428.602 3.499 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(O[C@H](C)C(=O)OCC)cc1 16361877 DHLBDASZBHUOFY-VFNWGFHPSA-N 438.480 3.345 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)CC1 20418633 ZYRAOVYNLUWMPY-MRXNPFEDSA-N 432.590 3.136 0 50 IGAA O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 28383479 BAOQJSULMWXFRK-GOSISDBHSA-N 439.865 3.479 0 50 IGAA in-vitro CCOC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccsc3)c(C(=O)OC)sc2n1 39404883 PCMICTDDZHKONP-UHFFFAOYSA-N 447.538 3.392 0 50 IGAA Cc1c(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)[nH]c2ccccc12 55370606 DMILSPRMCDKGCM-OAQYLSRUSA-N 440.494 3.104 0 50 IGAA CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)ccc2NC1=O 252668516 FGFSIHQEOLQFSO-VOBQZIQPSA-N 437.496 3.405 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)s2)cs1 670445436 NBVXIJNLARSYMW-ZDUSSCGKSA-N 425.601 3.249 0 50 IGAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCN2C(=O)OC[C@H]2C1 764127165 DZQLVMQQZJMJGT-MALNDZBISA-N 447.535 3.276 0 50 IGAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](c2cccnc2)N2CCOCC2)c1 823057932 YONYUNUTNZUGEL-HXUWFJFHSA-N 430.936 3.229 0 50 IGAA CCOC(=O)Oc1c(OC)cc(-c2nn3c([C@H]4CCCN(C)C4)nnc3s2)cc1OC 1772491138 YQLWEICRPGKCKT-LBPRGKRZSA-N 447.517 3.215 0 50 IGAA CCc1ccc([C@H](NC(=O)C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccccc32)C(C)C)cc1 1875253419 JGVSQKPKXAEDEM-TZIWHRDSSA-N 428.554 3.049 0 50 IGAA O=C(CN1C[C@H]2CC[C@H]1C2)N1CCC(CNc2ncnn3cccc23)(c2ccccc2)CC1 1875325777 CPMQNJHJPQSMPP-UNMCSNQZSA-N 444.583 3.186 0 50 IGAA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(=O)(=O)c1ccc(C)cc1 2440380 XOTZJGDQHXEVSN-UHFFFAOYSA-N 449.532 3.396 0 50 IGAA Cc1cccc(CN2CCN(C(=O)[C@H]3CCC(=O)N(CCCc4ccccc4)C3)CC2=O)c1 11932654 FVDLEXVIAAWFLK-DEOSSOPVSA-N 447.579 3.037 0 50 IGAA COc1ccc(CNCC2(O)CCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12467233 ADTSETPBKLTFOU-QHCPKHFHSA-N 442.600 3.352 0 50 IGAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2cc(C3CC3)on2)C1 12582013 UDFIPXDFFNITTP-LJQANCHMSA-N 440.588 3.477 0 50 IGAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)c1 14988012 LVZRIZJIFZZIJB-GOSISDBHSA-N 449.555 3.153 0 50 IGAA CCc1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n(C)n1 55568968 FKORPMNLLHLNBK-FQEVSTJZSA-N 449.521 3.428 0 50 IGAA COc1ccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)cc1OC 101231398 IKZNZEYOBMHSDD-ZWOKBUDYSA-N 444.553 3.204 0 50 IGAA Cc1noc([C@H]2COCCN2C(=O)CCOc2ccc(Cl)cc2Br)n1 170594335 VUHJNRBBRTZVDZ-CYBMUJFWSA-N 430.686 3.163 0 50 IGAA Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCC3 238924062 QRKDAQJBVGQZCO-JYJNAYRXSA-N 427.497 3.365 0 50 IGAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 253388021 UPUDVSQKKSADOA-WKILWMFISA-N 446.525 3.147 0 50 IGAA COc1ccc(/C=C/C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccn2)cc1OC 299787112 YZTZTYNEZJEFLD-WFNSPDMASA-N 449.551 3.100 0 50 IGAA CN(CCc1cnn(C)c1)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 299796589 OVNHWZTUIRLKMI-LJQANCHMSA-N 433.581 3.272 0 50 IGAA Cc1cc(C(=O)NC[C@@H](O)c2cccc(F)c2)cc(C)c1OCC(=O)N1CCCCC1 743323147 WQFYTKCBGQDANB-OAQYLSRUSA-N 428.504 3.297 0 50 IGAA C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cc(F)ccc1N1CCC(O)CC1 748064719 GOLSLOGQSHHGGA-ORAYPTAESA-N 429.467 3.229 0 50 IGAA CN1C[C@H](NC(=O)c2ccc(N3CCCC3)c(Cl)c2)c2sccc2S1(=O)=O 952863523 ULKLIQMOZHSATF-AWEZNQCLSA-N 425.963 3.107 0 50 IGAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 952873152 HDSNVNIRTAHFIB-FQEVSTJZSA-N 429.542 3.373 0 50 IGAA FC(F)(F)c1cnc(N2CCCN(C[C@H]3[C@H]4CNC[C@]45CC[C@H]3O5)CC2)c(Cl)c1 1704300474 WCEAFEDFUFUOCY-BUIAKZPTSA-N 430.902 3.033 0 50 IGAA O=C(OCCN1CCc2ccccc21)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2ccccc2c1 2325745666 RBDHXYZPYWGTFL-ISKFKSNPSA-N 430.504 3.021 0 50 IGAA Cn1c(=O)c2c(nc(Sc3ccc(Cl)cc3)n2Cc2ccc(F)cc2)n(C)c1=O 1127842 ZZUWFPRHOCJFDB-UHFFFAOYSA-N 430.892 3.426 0 50 IGAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@]12C(=O)N1c3c(cccc32)[C@H](C)CC1(C)C 1460221 VYAJMYVGACWBRQ-YMXBGEKHSA-N 434.492 3.437 0 50 IGAA biogenic CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 2881875 NSDQEMZJDVLEEO-UHFFFAOYSA-N 448.541 3.124 0 50 IGAA Cc1ccccc1Cc1c(C(=O)NCc2ccon2)c(=O)cc(C)n1Cc1ccncc1 11787485 QIACHNZPIDGXAD-UHFFFAOYSA-N 428.492 3.417 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCc2cc(C)n(C)n2)c1 11812961 AYXDJPPDBJPZIG-UHFFFAOYSA-N 426.561 3.453 0 50 IGAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)c1OC 14746797 NFHNJKFAIRZMOW-SFHVURJKSA-N 426.561 3.101 0 50 IGAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 65364142 NHUNDZDPCKWTMD-IBGZPJMESA-N 448.527 3.069 0 50 IGAA CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C32CC2)c1=O 104378053 GRMJTFIOPFGVEA-MIZPHKNDSA-N 445.563 3.173 0 50 IGAA CCOc1ccccc1CN1CCN(C2CCN(Cc3ccccn3)CC2)C[C@H]1CCO 104644100 IJJSEWAUGKHGEX-RUZDIDTESA-N 438.616 3.014 0 50 IGAA NC(=O)C1CCN(c2ccccc2NC(=O)c2cc(Br)cnc2Cl)CC1 170615763 SUESSNOHVLYBQG-UHFFFAOYSA-N 437.725 3.452 0 50 IGAA NC(=O)[C@H]1CCCN1Cc1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl 170617476 YONNBSOGUFNMNA-GOSISDBHSA-N 442.368 3.385 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1c1ccccc1Cl 227300051 UFNGSDFRPWTFSB-FBAVSBLXSA-N 442.302 3.425 0 50 IGAA CC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)cc1 238997420 AGAVJZCPHBSLDV-GRTXFJQUSA-N 432.520 3.440 0 50 IGAA COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 241439967 NNWBRGWEMYEWRY-JXFKEZNVSA-N 426.513 3.489 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C1=O 768308893 GLFLSFLCIYPSPA-SPEYYTFGSA-N 439.515 3.309 0 50 IGAA CCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1OCC 916771536 XICZXLWTYCLGSV-UHFFFAOYSA-N 442.331 3.294 0 50 IGAA O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325701870 KNEVFMHFMRONQD-FQEVSTJZSA-N 446.479 3.332 0 50 IGAA C[C@H]1CCC[C@@](O)(CNC(=O)C23CCC(C(=O)NC[C@@]4(O)CCC[C@@H](C)C4)(CC2)CC3)C1 2325750130 TWPAMROBBRKDBD-VFVSXHCJSA-N 448.648 3.442 0 50 IGAA Cc1ccc2c(C(=O)N=[S@@]3(=O)CCCN(C(=O)[C@@H]4CCCOC4)CC3)csc2c1 2332238942 QXLQWFVGPGAHCO-HYDGNGQDSA-N 434.583 3.477 0 50 IGAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Br)c1OCC 1007420 XVYQTJKELHWZBY-CQSZACIVSA-N 429.336 3.212 0 50 IGAA CCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl 1787046 TZKGOHHWPJOSJK-CYBMUJFWSA-N 426.753 3.372 0 50 IGAA CCOc1ccccc1-n1c(SCC(=O)c2ccc3c(c2)OCCO3)nc(O)cc1=O 2812063 AZKHFSYSCPHBIY-UHFFFAOYSA-N 440.477 3.083 0 50 IGAA O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)NCC1CCN(Cc2ccccc2F)CC1 9211347 WTEOFVGMGPZQHA-UHFFFAOYSA-N 447.514 3.045 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)n1 9484935 QPZLWFCFEGDASG-UHFFFAOYSA-N 431.543 3.258 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c(C)c1 11698019 ZCIVEYRNIAUAHW-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA O=C1CCCCN1CCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 12317342 RCEAPYFGIOUFKN-UHFFFAOYSA-N 445.995 3.496 0 50 IGAA Cc1nc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccn3)C2)cs1 14742072 CHJZZUGVXKUFEC-IBGZPJMESA-N 428.558 3.049 0 50 IGAA Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)[C@@H]1CC=CCC1)C2 14980712 DGHPEASUZIMOMG-HXUWFJFHSA-N 439.581 3.251 0 50 IGAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(C)cc1C)CC2 19838179 OFCPAABHZAMDOG-OAQYLSRUSA-N 427.593 3.111 0 50 IGAA COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)cc(-n3cnnn3)c2)c(OC)c1OC 20272723 AZEKLFMDBJDBBR-HNNXBMFYSA-N 437.500 3.370 0 50 IGAA COC(=O)[C@@H]1CCCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 55384677 GRUNDZJJWQTGBF-SFHVURJKSA-N 440.569 3.238 0 50 IGAA O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2 169755054 FBKVMGADOKNHMR-UHFFFAOYSA-N 444.285 3.092 0 50 IGAA NC(=O)[C@@H]1CCCN(Cc2ccccc2NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 170617467 SITMPWMDPRKWTH-MRXNPFEDSA-N 439.940 3.118 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1 239009570 AVNCYFMPGGDGIO-JKUBGBAOSA-N 427.456 3.284 0 50 IGAA O=C(OCC(=O)c1cccs1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239165110 NLPBVTSDDKPGTC-XYNCURNNSA-N 433.485 3.345 0 50 IGAA CN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)[C@H]2C1 245328677 WHHQPCWENOZRQK-XMSQKQJNSA-N 442.878 3.265 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCOC3(CCC3)C2)c1 427409954 YPJVJJMMFAEAKZ-GOSISDBHSA-N 449.617 3.149 0 50 IGAA Cc1cc(=NC(=O)[C@@H]2CCN(C)C[C@H]2c2ccnn2C)[nH]n1-c1cccc(C(F)(F)F)c1 1875267126 GIZMTAJTXQZAQO-QZTJIDSGSA-N 446.477 3.029 0 50 IGAA CS(=O)(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1 1077358 FLSSKZAEGHUVFI-LJQANCHMSA-N 445.522 3.191 0 50 IGAA COc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 1174117 MRGNNGNBRLHKPF-UHFFFAOYSA-N 440.521 3.216 0 50 IGAA Cc1ccccc1N1C(=O)[C@@H]2N=NN(CC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1=O 2787087 OWXPNMZNYWAEHK-IAGOWNOFSA-N 432.267 3.234 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C 11697585 MQFNLCUBVYZRQV-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA COc1ccc(CNCCc2cccnc2)cc1OC[C@H](O)CN(C)Cc1ccccc1 11937657 JDEZKHVRPFEFJQ-XMMPIXPASA-N 435.568 3.294 0 50 IGAA Cc1c(C(=O)NCC(C)(C)CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 12282240 IZLMEQVBKGHDNW-UHFFFAOYSA-N 428.514 3.089 0 50 IGAA Cc1nn(C)c(C)c1CN(Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1)C1CC1 12593896 HVYHOCJGOTWXTH-QHCPKHFHSA-N 426.605 3.427 0 50 IGAA COc1cc(/C=C/CN2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccn3)C2)ccc1O 14538406 DWNLRAMDLMKUHA-WMWRJIBUSA-N 439.556 3.195 0 50 IGAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2 14744420 GHKSBLRFMCDNLP-CSKARUKUSA-N 434.540 3.422 0 50 IGAA COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 15070922 SNSBCCQUNWYOFE-BDUNBXCCSA-N 435.528 3.251 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(C3CSCCSC3)CC2)c(Cl)c1 55198783 RUFMTXZEXIUSRM-UHFFFAOYSA-N 445.050 3.408 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1cccc(CNC(=O)c2cc(Br)ccc2F)c1 170593805 LVOPUSTYKVPKKZ-INIZCTEOSA-N 435.293 3.427 0 50 IGAA O=C(NC[C@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1nc(Cl)ccc1Cl 225321275 LNUBLGBBGFLBGV-GJZGRUSLSA-N 434.327 3.109 0 50 IGAA CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cc(F)cc(Cl)c3)CCCC2)no1 241634569 PNMXINBLOWTOCG-UHFFFAOYSA-N 430.933 3.452 0 50 IGAA CN(C)CCCn1cnc2cc(NC(=O)C3CCN(c4ccc(Cl)nn4)CC3)ccc21 252483817 FJBPJEAAJOWJTD-UHFFFAOYSA-N 441.967 3.287 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCc1nc(O)c2ccccc2n1 409413461 IDLBWXARRNAEEO-SIKLNZKXSA-N 440.588 3.398 0 50 IGAA biogenic CNc1nc(N[C@@H]2CCCc3nc(C)ncc32)nc(N[C@@H]2CCCc3nc(C)ncc32)n1 758454234 WLFFXDJPGKSMOP-RTBURBONSA-N 432.536 3.089 0 50 IGAA CC(C)N1CC[C@H](C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 1327420596 DMIXHEMFCNJHIK-SSPYTLHUSA-N 449.599 3.209 0 50 IGAA COc1ccc2c(c1)OCCNC(=O)CN(C/C=C(\C)CCC=C(C)C)CCCNC2=O 1857707980 CUODIGWFPXUJBZ-RGVLZGJSSA-N 443.588 3.318 0 50 IGAA Cn1ccc([C@@]23CC[C@@H](C2)[C@@H]3C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)n1 1875393586 PKEVLOBNYAVULV-LUQKVYGDSA-N 438.494 3.024 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccc(F)cc2Cl)CC1 2100484006 YLLNOQQCBSTOQG-UHFFFAOYSA-N 432.927 3.291 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)CC1=O 2325820060 ZAZVRJAXCYQXMK-CMPLNLGQSA-N 447.365 3.470 0 50 IGAA Cc1ccc(S(=O)(=O)NCc2cccc(CNS(=O)(=O)c3ccc(C)cc3)c2)cc1 638913 KUDFZOBPEKPYHN-UHFFFAOYSA-N 444.578 3.260 0 50 IGAA COC(=O)c1c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 943809 YDTDHTQEGVLMIG-KRWDZBQOSA-N 426.494 3.283 0 50 IGAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc(Br)c1OCC 1007419 XVYQTJKELHWZBY-AWEZNQCLSA-N 429.336 3.212 0 50 IGAA CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 2237092 JRBPOSZAYSPBNO-UHFFFAOYSA-N 430.555 3.434 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c(C)c1 11697584 ACYQTHJNKGNJCX-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA CN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccc(F)c(F)c2)c1=O 11784058 UOLVETGMOWQMAU-UHFFFAOYSA-N 431.483 3.339 0 50 IGAA COc1cc(CNCCc2ccncc2)ccc1OC[C@H](O)CN1CCCCCCC1 12434825 BIUCWEKYXJVDDO-HSZRJFAPSA-N 427.589 3.428 0 50 IGAA CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(C[C@H]2COc4ccccc4O2)C3=O)CC1 15070490 ZWCUSUWFXSOTBJ-SFHVURJKSA-N 449.551 3.291 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCCc1ccccc1 55153742 GWXSEMBFIVWTDN-FQEVSTJZSA-N 433.474 3.145 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2OC)cc1 101267659 ANHKDXNTPNMETN-ZWOKBUDYSA-N 444.553 3.204 0 50 IGAA O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC=C(Br)C1 225655357 LYPJZAVQYOYSNW-LLVKDONJSA-N 428.124 3.313 0 50 IGAA O=C(c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12)N1CCC(N2CCCCC2)CC1 263617950 QPLBCPBEJJWSLH-UHFFFAOYSA-N 440.935 3.241 0 50 IGAA CC[C@@H]1CN(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)Cc2cc(OC)ccc2O1 299794639 LUXMSPOZDHAPGN-QPPBQGQZSA-N 438.572 3.017 0 50 IGAA CCCOc1nc(C(=O)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc2ccccc12 1875343418 IHHSCZAGWYIPGP-AWEZNQCLSA-N 426.494 3.466 0 50 IGAA COc1cc(OC)cc(C(=O)NC2CCC(NC(=O)c3cc(OC)cc(OC)c3)CC2)c1 657100 RSRRSWNXQHHHTJ-UHFFFAOYSA-N 442.512 3.192 0 50 IGAA COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 1080526 MZVURNOEKQQATO-UHFFFAOYSA-N 425.392 3.300 0 50 IGAA CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(OC)cc1 8756969 AQPZMXZPIJJNHR-UHFFFAOYSA-N 437.569 3.415 0 50 IGAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCc4ccon4)c3C3CC3)n2)c1 11880769 LVBWTCNOKVJSFE-UHFFFAOYSA-N 446.467 3.142 0 50 IGAA COC(=O)CCCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12049252 SHBIKYLGKOYBBL-OAQYLSRUSA-N 434.552 3.389 0 50 IGAA Cc1cccnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12442404 LAUKLSXZVDUWBH-XMMPIXPASA-N 444.535 3.189 0 50 IGAA COc1ccc(CCNC(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)cc1 14884309 IMKPHGGMCUGXDG-DEOSSOPVSA-N 428.504 3.173 0 50 IGAA COCCCNC(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 14960421 JUSYOOPLGSUGQU-UHFFFAOYSA-N 430.530 3.395 0 50 IGAA COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C2CCN(CCc3ccccc3)CC2)c1 14997601 BETDPQDEOHWUKZ-URXFXBBRSA-N 435.568 3.200 0 50 IGAA CCOc1ccccc1CN1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1 23337420 SMKXUACUFKKAHB-JOCHJYFZSA-N 437.544 3.455 0 50 IGAA O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 239235423 VXUYAWJMZPPCHS-IWQHBPENSA-N 440.293 3.479 0 50 IGAA Cc1ccc2c(c1)CN(CCC(=O)N1CCN(c3ncnc4ccccc34)CC1)C[C@H](C)O2 299775028 JPDLSXUPDCKLED-FQEVSTJZSA-N 445.567 3.260 0 50 IGAA O=C(Nc1ccn(-c2ccncc2)n1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 463816080 HRUWDWQPXBOOGJ-IBGZPJMESA-N 432.311 3.586 0 50 IGAA CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)CC1 825520486 UUGDPGPUVYNHFR-UHFFFAOYSA-N 432.358 3.299 0 50 IGAA O=C([C@@H]1C[C@@H]1c1cccs1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 1857798537 MCTVDBBTDBBIHI-KWCYVHTRSA-N 444.372 3.423 0 50 IGAA CCCN(CCN1CCN(CC)CC1)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 1875259089 LIYAHELXNQXHIR-UHFFFAOYSA-N 440.636 3.086 0 50 IGAA O=C(NCc1ccccc1-n1cc(-c2cncs2)nn1)[C@@H]1CC(Cc2ccccc2)=NO1 1875354953 VHKHXEYPAAKRRV-NRFANRHFSA-N 444.520 3.395 0 50 IGAA CN1c2ccccc2[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CS1(=O)=O 2325819868 SNKWFLJAJKGRTM-GVDBMIGSSA-N 435.343 3.190 0 50 IGAA O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NS(=O)(=O)c1cccc2c1CCCN2 2325862548 YNMWOUZGRCITSU-UHFFFAOYSA-N 447.463 3.416 0 50 IGAA N[C@H]1CCCC=CCOc2ccccc2C(=O)N2C[C@H](CNC1=O)[C@@H](c1ccccc1)C2 2325894051 QMFMJPUMZFIETR-WWNPGLIZSA-N 433.552 3.105 0 50 IGAA COCCOc1cc(O)cc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)c1 2356141655 KIVPZTICUYNFJK-UHFFFAOYSA-N 427.497 3.130 0 50 IGAA CCOC(=O)c1c(NC(=O)Cc2ccc(Br)cc2)sc(C(N)=O)c1C 675980 YADPZPLKZGKAEY-UHFFFAOYSA-N 425.304 3.276 0 50 IGAA COc1ccc(C(=O)NC(=S)N(CC2CC2)C[C@@H]2CCCO2)cc1Br 1051247 VOOCKXOKXBFXOD-AWEZNQCLSA-N 427.364 3.363 0 50 IGAA Cn1ncc(NC(=S)Nc2ccn(Cc3ccccc3F)n2)c1C(=O)N1CCCCC1 2728627 CVMSKWLRBRVMMP-UHFFFAOYSA-N 441.536 3.239 0 50 IGAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)n(C)n1 11842588 KVGKHIGFJNKGOC-NRFANRHFSA-N 428.552 3.401 0 50 IGAA COc1ccccc1-n1cc(CNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)cn1 12093412 HLJYVFYRYRLBPB-QFIPXVFZSA-N 446.551 3.369 0 50 IGAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccoc3)CC2)[C@H]1OCCOC 12097287 PJKMIOJHPPVNPC-YADHBBJMSA-N 426.513 3.066 0 50 IGAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2=NN(C)C(=O)CC2)CC1 12429852 MQSBMRYJELRWTF-UHFFFAOYSA-N 428.577 3.000 0 50 IGAA Cc1cc(=O)c(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)c[nH]1 12711714 MQOYVRYGVDPERO-NRFANRHFSA-N 441.547 3.356 0 50 IGAA CC(C)c1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccncc3)C2)[nH]n1 14540050 YGQJPYKJVZLIEO-HXUWFJFHSA-N 439.560 3.131 0 50 IGAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)C4=NN(C)C(=O)CC4)C3)c2)c1 15062609 IHICMOSTPDVYBN-FQEVSTJZSA-N 432.524 3.447 0 50 IGAA CCn1c(CNC(=O)c2ccc(F)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 16361436 QDIHBGYSTGHNNJ-WMLDXEAASA-N 433.553 3.154 0 50 IGAA COc1cccc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]2CCO)c1 19836899 WZWXSWKXMYFNSB-FQEVSTJZSA-N 442.947 3.467 0 50 IGAA CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccccc1)CC2 19852854 NSPLMVNPCYCBFF-UHFFFAOYSA-N 435.553 3.220 0 50 IGAA O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1 150275965 VOVZXURTCKPRDQ-CQSZACIVSA-N 449.845 3.463 0 50 IGAA investigational COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)c1 169772951 OMFBZCPEAQROER-LLVKDONJSA-N 429.274 3.326 0 50 IGAA COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccc4cccnc4c3N1[C@H]2C(=O)C(C)(C)C 245309400 CPTKGFRJYIPFEW-ZVVDCOBXSA-N 447.535 3.072 0 50 IGAA CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 252516319 RTVQJXWUCJZCCC-QZTJIDSGSA-N 426.460 3.339 0 50 IGAA COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)cc1OC 263616761 KKGYENRAZUSEDF-IBGZPJMESA-N 428.876 3.150 0 50 IGAA CN(Cc1ccon1)C(=O)c1cc(NC(=O)[C@@H]2CCCO2)c2c(c1)nc(C1CCC1)n2C 299771027 RCYYADGLYOABKP-IBGZPJMESA-N 437.500 3.219 0 50 IGAA COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)CC1=O 328595012 INLWCUYKCAKXGV-ZDUSSCGKSA-N 440.887 3.335 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1 776204145 QLYDSSSHQHVFIO-QGTPRVQTSA-N 427.636 3.371 0 50 IGAA COc1ccccc1-c1nnc(Cn2c(-c3cccc(Br)c3)noc2=O)o1 1318724387 GTXDLAWEAMNICX-UHFFFAOYSA-N 429.230 3.373 0 50 IGAA COc1cc(CN2C[C@@H]3CN(Cc4ccc(Cl)s4)C[C@@]3(CO)C2)cc2c1OCO2 1772707311 VAJKMZJFXGPMEZ-QVKFZJNVSA-N 436.961 3.065 0 50 IGAA CC(C)c1ccc(-c2noc(CN3CCN(S(=O)(=O)N4CCCC[C@@H]4C)CC3)n2)cc1 1875264821 VIRKKPWTLKWRRX-SFHVURJKSA-N 447.605 3.097 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 845646 UABZMJZQOZTYMH-LJQANCHMSA-N 443.525 3.153 0 50 IGAA COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCC2 2887439 VYTOTKUTRTXRCX-UHFFFAOYSA-N 429.527 3.120 0 50 IGAA aggregator COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC 6549538 JGVVWQOHOMPFSV-UHFFFAOYSA-N 441.547 3.404 0 50 IGAA CCC[C@]1(C2CCN(C(=O)c3ccoc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O 11788348 NCCXMOIMEBGKNJ-XMMPIXPASA-N 438.528 3.169 0 50 IGAA Cc1cccn2c(CNCCCn3ccc4ccccc43)c(C(=O)N3CCOCC3)nc12 12447417 GSXOIYKCNAKHJM-UHFFFAOYSA-N 431.540 3.250 0 50 IGAA CCOC(=O)C[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2cc(OC)ccc2F)CCC(=O)N1 12450974 FJCIJUZLNXIIBC-UUOWRZLLSA-N 448.535 3.140 0 50 IGAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)Nc2ccccc2)cc1N1CCNC1=O 14884892 USXTXTZPUNXHOC-HXUWFJFHSA-N 432.524 3.406 0 50 IGAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 65362276 JHRUXQCZFLRWRA-UHFFFAOYSA-N 443.551 3.251 0 50 IGAA CCCON1C(=O)[C@@H]2[C@H]3O[C@H]([C@@H]4[C@@H]3[C@@]3(Cl)C[C@@]4(Cl)C(Cl)=C3Cl)[C@@H]2C1=O 216191202 YFBALXAIKASPIP-DUEFNVCQSA-N 427.111 3.004 0 50 IGAA O=C(NCCc1csc(=O)[nH]1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 225700034 VJCUVKNVGZUEPP-UNMCSNQZSA-N 435.549 3.275 0 50 IGAA C[C@H](CCc1ccccc1)NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252571529 YCNIMDFZAXFRJE-VGOFRKELSA-N 432.524 3.363 0 50 IGAA COc1ccccc1[C@H]1NC(=O)N(Cc2noc(CC3CCCCC3)n2)C2=C1C(=O)OC2 263616752 KIUHRPCVVYNYME-OAQYLSRUSA-N 438.484 3.278 0 50 IGAA Cc1ccc(N=c2nc(O)c3cnn(-c4ccccc4)c3[nH]2)cc1N1CC[C@@H](N(C)C)C1 2325736874 UFHNLOSUWYMHAL-LJQANCHMSA-N 429.528 3.135 0 50 IGAA Cn1cc(Br)c(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)n1 1009254 PIJCWBJYSJRDRV-UHFFFAOYSA-N 439.111 3.442 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1164010 ZJZBCOOZZDKQEF-UHFFFAOYSA-N 447.738 3.370 0 50 IGAA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 2860767 SEMQJQNWLOSDCW-UHFFFAOYSA-N 441.347 3.334 0 50 IGAA COc1cc(-c2c(OC)cccc2OC)cc2c1OCCN(C(=O)c1cc(C)nn1C)C2 12035780 ZVZITZGSXFUQCP-UHFFFAOYSA-N 437.496 3.456 0 50 IGAA Cc1ccc(OCc2c(C(=O)NC[C@@H]3CCCO3)c(=O)cc(C)n2Cc2ccccn2)cc1 12245036 PVASWLWEXSSHAL-QFIPXVFZSA-N 447.535 3.396 0 50 IGAA CC(C)N1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)N1CCN(C2CCN(C)CC2)CC1 12278918 ONBIFDVKCIKEMF-PKTZIBPZSA-N 448.652 3.008 0 50 IGAA CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 12306915 GVSQXPKLERFVKG-NRFANRHFSA-N 429.996 3.302 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C2CCCC2)C1=O 14968815 JIVWKZDRBHTXNA-SQJMNOBHSA-N 442.556 3.052 0 50 IGAA Cc1ccsc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19637027 WNGSEFHETPFOIV-LJQANCHMSA-N 427.570 3.208 0 50 IGAA Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(Cl)cc4)ccc32)c1-c1ccccc1 40391036 GCFWFTMYFMOWJH-UHFFFAOYSA-N 430.855 3.452 0 50 IGAA CC1(C)CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)C[C@@]2(CCOC2)O1 225442615 SESHGCDUURKKQE-RUZDIDTESA-N 435.524 3.412 0 50 IGAA NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 474723352 FGDQIJPVNFLQHO-UHFFFAOYSA-N 445.397 3.111 0 50 IGAA CNC(=O)c1ccc(CS(=O)(=O)c2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 482715541 LNAIZNICBIFSOE-UHFFFAOYSA-N 437.443 3.446 0 50 IGAA C[C@]1(NC(=O)c2n[nH]cc2Br)CCCN(C(=O)c2ccc3sncc3c2)C1 2325823025 BSZPWGKFAPCYRC-SFHVURJKSA-N 448.346 3.207 0 50 IGAA COc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc5c(c4)OCO5)nn23)cc1 9745922 QOATXWCIJAPRNT-UHFFFAOYSA-N 446.467 3.045 0 50 IGAA CCCS(=O)(=O)c1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)n1C[C@H]1CCCO1 11935076 SRHHXHZBQWQVKQ-HXUWFJFHSA-N 448.564 3.498 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)C(=O)[C@@H](C)CC)CC2)NC(=O)N(CCc2cccs2)C1=O 12162509 LXNPBEZIYTVCAH-HJPURHCSSA-N 447.601 3.235 0 50 IGAA O=C(NCCCO)c1cn([C@H]2CCCN(Cc3ccc(-c4cccc(Cl)c4)o3)C2)nn1 12193299 BVPFALJTDFIYJA-SFHVURJKSA-N 443.935 3.141 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccc(F)cc3[nH]2)n1Cc1ccccc1 12300079 NDFWOZKOEZUBGS-UHFFFAOYSA-N 441.532 3.372 0 50 IGAA Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c(=O)[nH]cnc32)cc1 12462125 SUNMLZFFYMQMGE-UHFFFAOYSA-N 427.436 3.426 0 50 IGAA biogenic,in-vitro CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12836514 VWUAFQXMNDWGJX-JHEAYKPVSA-N 435.480 3.350 0 50 IGAA COc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3OC)C2)o1 14957724 QZNDLOALTZPYNT-LJQANCHMSA-N 429.561 3.213 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)CC1 14982316 XGLRZVQPJDYLSI-UHFFFAOYSA-N 445.523 3.152 0 50 IGAA O=C(Cn1c(=O)oc2ccccc21)NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1 23129052 YTYJLEPXAJVVLX-DEOSSOPVSA-N 443.503 3.347 0 50 IGAA COc1ccccc1OCCN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 225843338 XYIRVQPKHGRCHJ-UHFFFAOYSA-N 441.553 3.019 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 239403069 RLUOSSBFKIEXRS-FDJUTITPSA-N 435.705 3.094 0 50 IGAA CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239425885 VKSWWKVSUNCTGB-OOPZRWPMSA-N 441.911 3.144 0 50 IGAA CCS(=O)(=O)Nc1cccc(N2CCC(NCc3nnc(-c4ccccc4)o3)CC2)c1 299772234 STVUHDXBTDSASN-UHFFFAOYSA-N 441.557 3.257 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409413104 CNXJGIALSSQHTK-GHTZIAJQSA-N 426.561 3.008 0 50 IGAA biogenic CCOCCN1CCC[C@@]2(CCCN(C(=O)c3cc4c(OC)cccc4[nH]3)[C@H]2C)C1=O 1940195044 JWQBFHVDTKQYKL-XDHUDOTRSA-N 427.545 3.446 0 50 IGAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC 894864 XHGONFKTACTRMA-UHFFFAOYSA-N 434.514 3.139 0 50 IGAA COC(=O)c1sc(S(=O)(=O)Nc2ccc(Br)cc2)c(C(=O)OC)c1C 953553 GSMAWMVXOWENPU-UHFFFAOYSA-N 448.316 3.193 0 50 IGAA CCOc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC 2830658 HLWHNNZAUYSEOK-TVNQGELYSA-N 444.303 3.454 0 50 IGAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccc3c(c1)OCO3)CC2 14748477 WGUQXARZDJJBFK-IBGZPJMESA-N 432.524 3.068 0 50 IGAA O=c1c(CNCCCn2ccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 14985396 QZYRZPWWKQMREY-UHFFFAOYSA-N 434.471 3.294 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cc5ccccc5[nH]4)ccn3n2)c1 169777082 XUPXZCDQLDSEEI-UHFFFAOYSA-N 427.464 3.083 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C[C@H](C)O)c2)cc1 225745629 NPPRGNOFYOVZAG-LPHOPBHVSA-N 432.542 3.262 0 50 IGAA COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(N(C)C)c3)C2)c1 225847774 MMJCTRBPBWWZKZ-NRFANRHFSA-N 425.485 3.312 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4c(ccc5cccnc45)C=C[C@H]3[C@@H]2C1=O 245309398 CPTKGFRJYIPFEW-OZIGNCPNSA-N 447.535 3.072 0 50 IGAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccc4ccn(C)c4c3)N=C2O)cc1 252537568 LOQTVELAZKSLJO-HXUWFJFHSA-N 434.496 3.273 0 50 IGAA CCS(=O)(=O)Nc1cccc(N2CCC(NC[C@@H]3OCCc4ccccc43)CC2)c1 299773886 GHZJUVWPHIFYLD-QHCPKHFHSA-N 429.586 3.321 0 50 IGAA COc1ccc([C@@H](NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1OC 334160555 HGFGQTFPYTYLJS-GCJKJVERSA-N 439.512 3.048 0 50 IGAA Cn1c(=O)oc2c(C(=O)N3CCC(O)(c4cccc(OC(F)(F)F)c4)CC3)cccc21 791233064 RODYFEKWSCMHII-UHFFFAOYSA-N 436.386 3.154 0 50 IGAA COc1c(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)ccc(Cl)c1Cl 1704311638 OKRNQHLREUUCEC-GOSISDBHSA-N 443.356 3.043 0 50 IGAA Cc1cncc(-c2cn([C@@H]3CCCN(C(=O)c4cccc(N5CCCNC5=O)c4)C3)nn2)c1 1875360157 ACWDZVIOPZUZKJ-OAQYLSRUSA-N 445.527 3.046 0 50 IGAA O=C(COc1ccc(-c2cccnc2N2CCOCC2)cc1)Nc1ccc2nc(O)[nH]c2c1 1875387482 JWICXBVOKFRWBJ-UHFFFAOYSA-N 445.479 3.185 0 50 IGAA COc1ccc2c(c1)[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)CCC2 2325732657 YDFGCUAZACBGGG-NHCUHLMSSA-N 429.948 3.261 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1cccs1 633338 SAJAOJGNWLUDKU-MJSCBBHESA-N 430.938 3.123 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@H](C)Cc2cccnc2)c1 11932805 OIGOSKWYMNYFPU-QGZVFWFLSA-N 437.540 3.231 0 50 IGAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCOc4cccnc4)C3)nc(C)c2c1 12034242 AXMBLVBZSMPAJQ-GOSISDBHSA-N 435.528 3.144 0 50 IGAA COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12073832 INNFYUGWKBZFPU-QFIPXVFZSA-N 428.577 3.121 0 50 IGAA C[C@@]1(C2CCN(C(=O)Cc3ccsc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12163096 FQRRPNZIGNVAST-QFIPXVFZSA-N 429.517 3.179 0 50 IGAA COc1cc2cc(C(=O)N3CCC(c4nnc5ccccn45)CC3)n(C)c2c(OC)c1OC 12324159 VYDMFFRHYHDIQT-UHFFFAOYSA-N 449.511 3.267 0 50 IGAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 12464036 GHAABZLKQDRVAK-IBGZPJMESA-N 437.437 3.194 0 50 IGAA O=C(CCn1cccn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12586429 UHMFXLWPBJGDTK-JOCHJYFZSA-N 428.552 3.332 0 50 IGAA CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1[nH]c(C)cc1C)CC2 14533783 KPZHWROKJYAPFZ-UHFFFAOYSA-N 436.512 3.260 0 50 IGAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14539426 HJRBOLRIPVRINV-HXUWFJFHSA-N 430.618 3.275 0 50 IGAA COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 14541936 CMDPGHFAJFXHSM-VQTJNVASSA-N 430.520 3.201 0 50 IGAA COCC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 14882384 HLEKJPLVFZBBRP-ATIYNZHBSA-N 449.551 3.086 0 50 IGAA CCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1COC 15007827 MQYHXQALGOGIRF-UHFFFAOYSA-N 448.571 3.036 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 16699927 KANDDLHGGQZHTR-OBHPCNEJSA-N 430.938 3.123 0 50 IGAA O=C1C[C@H](C(=O)N2CCOc3ccc([C@H](O)c4ccccn4)cc3C2)c2ccccc2N1 20785306 UXMITXMDJTWXQH-CYFREDJKSA-N 429.476 3.010 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(F)cc2F)CC1 82039597 NYOPCIAFGMMRRE-UHFFFAOYSA-N 434.483 3.393 0 50 IGAA O=S(=O)(c1ccccc1)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 483393927 IJHUNRDBZXWWFG-UHFFFAOYSA-N 425.432 3.353 0 50 IGAA C[C@@H](NC(=O)c1cncc(-c2cn(-c3cncc(C(=O)O)c3)nn2)c1)c1cccc(F)c1 1875326092 AATPHMIKRTWMND-CYBMUJFWSA-N 432.415 3.053 0 50 IGAA COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1 816256 LSJHVBZNMRTBJS-UHFFFAOYSA-N 427.428 3.253 0 50 IGAA Cc1ccc(N(CC(=O)NC[C@@H](O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8916094 JPDKGTQYCZSNCY-HSZRJFAPSA-N 438.549 3.349 0 50 IGAA NC(=O)C1CCN(C(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)CC1 9435471 NOEBSLRHACIGLZ-CVEARBPZSA-N 439.413 3.020 0 50 IGAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cnc(N3CCOCC3)s2)CC1 12194334 DTWWWNURJWFLSB-UHFFFAOYSA-N 440.569 3.204 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)Cc2ccncc2)CC1 12209871 PYUPKNQBDDOMAV-UHFFFAOYSA-N 434.500 3.337 0 50 IGAA CC[C@@H](C)CC(=O)N1CCC([C@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 12213830 ZKYAODPCQOLDRS-GYCJOSAFSA-N 443.544 3.291 0 50 IGAA CN(Cc1cccnc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12308399 JTZPGROTVOXVTD-DEOSSOPVSA-N 428.536 3.098 0 50 IGAA COc1ccc(N2C(=O)[C@H]3CS[C@H](c4cc(OC)c(OC)c(OC)c4)N3C2=S)cc1 12420807 DSOSBTOLLPMFES-FOIQADDNSA-N 446.550 3.469 0 50 IGAA CC(C)n1cc(CN2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cn1 14952205 QNAGCQAWNWMBDI-GOSISDBHSA-N 427.574 3.203 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C/c3ccccc3F)c2=O)=N1 16699986 SGRJGTMARLUSIA-OXRZLYTFSA-N 442.537 3.387 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)CCc2ccccn2)n1CCCc1ccccc1 19595203 KVIIOYRFNLHODG-UHFFFAOYSA-N 426.586 3.379 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)c2c1 20177513 DNVNFZFWWQERQT-UHFFFAOYSA-N 435.524 3.256 0 50 IGAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1=O 102362316 WDYDBIZDKSCSRO-BCHFMIIMSA-N 435.568 3.491 0 50 IGAA COc1ccc(-c2noc(CC3CCN(C(=O)c4ccc(OC)nc4OC)CC3)n2)cc1 169754772 NSVXSCWOZVBISY-UHFFFAOYSA-N 438.484 3.252 0 50 IGAA CO[C@@H](C)C(=O)N1CCC(CN(CC(F)(F)F)C(=O)[C@H](C)OC)(c2ccccc2)CC1 170600398 BMRSLBVQXUECLU-IRXDYDNUSA-N 444.494 3.008 0 50 IGAA CCc1cc(CCCN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)on1 253431722 XHONERRYIPJUGC-UHFFFAOYSA-N 448.408 3.000 0 50 IGAA CN1CC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@H](c2cnn(C)c2)C1 849549729 WELWUYSDCRYVKJ-OALUTQOASA-N 432.450 3.299 0 50 IGAA CNC(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cc1 1506410139 SBQFZDRUXLKWLR-QFIPXVFZSA-N 447.576 3.107 0 50 IGAA O=C(O)[C@H]1CN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC12CCOCC2 1775979783 PDSKRTFWKLEBNX-HSZRJFAPSA-N 434.536 3.198 0 50 IGAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(I)cc1 2508874 RYHUHAKHUMJKFD-AWEZNQCLSA-N 442.278 3.114 0 50 IGAA CCOC(=O)C[C@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1ccc(OC)cc1 2696546 SANWKUSGTHDNMQ-SFHVURJKSA-N 425.437 3.235 0 50 IGAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)cc1 8951545 WAZOUWGYXCSDCX-HNNXBMFYSA-N 432.567 3.105 0 50 IGAA Cn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccc(F)cc1 9096023 SBOOTECIUVTKCO-UHFFFAOYSA-N 429.496 3.201 0 50 IGAA O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCN(Cc3cccn3-c3cccnc3)CC2)N1 11790420 HJHJIBFSZYNLTE-VWLOTQADSA-N 447.514 3.044 0 50 IGAA CCn1cc(CNC(=O)CC[C@@]2(Cc3ccc(OC)c4ccccc34)CCC(=O)N2)cn1 14884758 NNJUCXRVFFBVBI-VWLOTQADSA-N 434.540 3.353 0 50 IGAA Cc1cc(C(=O)N(Cc2ccc(OCc3ccccn3)cc2)[C@H]2CCCCNC2=O)n(C)n1 23232277 FCQOQUNWARCSOD-QFIPXVFZSA-N 447.539 3.014 0 50 IGAA O=C(CN1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1)N1CCCC1 35326221 YKQAYMJRMSKNQO-UHFFFAOYSA-N 430.552 3.075 0 50 IGAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1 54274346 GGHHTAAGPQLARE-UHFFFAOYSA-N 425.924 3.182 0 50 IGAA CCO[C@H]1C[C@](NC(=O)CCc2ccc(OC)c(Br)c2)(C(=O)OC)C1(C)C 170602659 UEEAOXMDUZVZHW-JXFKEZNVSA-N 442.350 3.253 0 50 IGAA CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 254578423 DSADTPFTCSHYBO-LJQANCHMSA-N 442.537 3.387 0 50 IGAA COc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)c(OC)c1 263615359 BZRFILDBSDLZGX-LJQANCHMSA-N 428.876 3.150 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1 409413604 CNERGUVGRNBIAY-KSEOMHKRSA-N 440.588 3.348 0 50 IGAA C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)C(=O)Nc1ccc2c(c1)OCCO2 468499746 ATABOWSHGYUCFC-XIKOKIGWSA-N 447.417 3.301 0 50 IGAA COc1ccc(OC)c2c1CN(Cc1csc(CNC(=O)c3ccccc3)n1)C[C@H]2O 750816950 DQZIJASJICSGPR-GOSISDBHSA-N 439.537 3.140 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 871674 JWCHRPMABBPIQX-WMZOPIPTSA-N 433.302 3.468 0 50 IGAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(OC)c1 1116789 ZTIFCFMYXDGJMQ-UHFFFAOYSA-N 442.497 3.164 0 50 IGAA COC(=O)C1=CN(c2ccc(C(=O)OC)cc2)C=C(C(=O)OC)C1c1cccc(F)c1 1132127 LXAFRPBEISRZDY-UHFFFAOYSA-N 425.412 3.330 0 50 IGAA CSCC[C@@H](C(=O)OCC(=O)c1ccc(C)c(C)c1)N1C(=O)c2ccccc2C1=O 2064697 NLFFTUWVLLILGG-IBGZPJMESA-N 425.506 3.447 0 50 IGAA O=C(O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 6975246 CRGWMTMDFGSCCM-CXUHLZMHSA-N 431.242 3.005 0 50 IGAA C[C@]1(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11870806 ZLBWAKVWPYRGBT-OAQYLSRUSA-N 433.480 3.389 0 50 IGAA O=C(Cn1cc(NC(=O)CCOc2ccccc2)cn1)NCCCn1ccc2ccccc21 12150418 KKSFQHVEPVJUTC-UHFFFAOYSA-N 445.523 3.452 0 50 IGAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(O)(c2ccc(Cl)cc2)CC1 15071960 DHZUFKNBFATHBE-NRFANRHFSA-N 442.899 3.266 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CC=CC[C@H]1C(=O)O 16400308 STTHZJUMLUCUNG-RBUKOAKNSA-N 426.494 3.044 0 50 IGAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(N(C)C)c3)n2C)c1 17095493 XVUURARBIYCSMG-UHFFFAOYSA-N 427.530 3.296 0 50 IGAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)[C@H](C(=O)O)C1 19644955 PTRBKSQNEGXMPQ-IAGOWNOFSA-N 446.569 3.485 0 50 IGAA Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1C 20915531 MQRZWMNKMWAEHF-UHFFFAOYSA-N 449.574 3.302 0 50 IGAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CCOc3ccc(Cl)cc3C1)C2 23338612 YYDFHEWZGAGHOO-SFHVURJKSA-N 428.964 3.452 0 50 IGAA Cc1ccc(S(=O)(=O)n2c(I)cc3c(Cl)ncnc32)cc1 44682273 DRNWHEZFQFFNEW-UHFFFAOYSA-N 433.658 3.235 0 50 IGAA CCc1cc(CNCc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3ccc(Cl)cn23)on1 65454778 HDWDUIAPNPGMCY-OKILXGFUSA-N 431.924 3.077 0 50 IGAA O=C(Nc1cccc(-c2noc(=O)[nH]2)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 110636777 KSFQCLZRTOEYQU-UHFFFAOYSA-N 439.431 3.040 0 50 IGAA C[S@@](=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2OC(=O)c2ccc([S@](C)=O)cc2)cc1 252502981 UWHJCVZOGAXNFA-YVZLHCJQSA-N 448.562 3.486 0 50 IGAA CCOc1cc(NC2CCN(C(=O)NCc3ccc(N4CCCCC4)nc3)CC2)ncn1 466585497 LUGHYPAFQSBADI-UHFFFAOYSA-N 439.564 3.047 0 50 IGAA C[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)C1(S(C)(=O)=O)CC1 816649614 DYOPAGQGJYHYDJ-SNVBAGLBSA-N 442.297 3.482 0 50 IGAA NC(=O)[C@H](OC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(F)cc1 915482555 BEPKYDGCAFOREL-RBBKRZOGSA-N 436.439 3.162 0 50 IGAA COc1ccc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1OCc1cccc(F)c1 1529109517 CLVPMALZJZRJBX-KNQAVFIVSA-N 425.504 3.480 0 50 IGAA CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 1875254195 ZAVRHRSDMYJEDE-MSOLQXFVSA-N 439.528 3.376 0 50 IGAA CO[C@@H]1CCC[C@@H]1C(=O)N=[S@]1(=O)CCCN(C(=O)CCCc2cccs2)CC1 2332238492 AUCZPSRGTBCGER-IYFHLELXSA-N 426.604 3.113 0 50 IGAA CC[C@@H]1CC[C@H](C(=O)N2CCC([S@](C)(=O)=NC(=O)c3cccc4c3ccn4C)CC2)O1 2332238850 OBHRYVTZPUZBLX-ODMYBACJSA-N 445.585 3.365 0 50 IGAA COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)C(=O)O)cc1 948553 XIRZJQWSRVGDOH-QFIPXVFZSA-N 449.459 3.349 0 50 IGAA Cc1nn(C)cc1S(=O)(=O)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C 2804915 HOWZHDIMHUUKKD-UHFFFAOYSA-N 427.452 3.410 0 50 IGAA COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(I)cn1 6456397 XUTZWSAFYWZVFB-UHFFFAOYSA-N 427.267 3.130 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(c1ccccc1)c1ccccc1 8397077 RDSZKRMMVIQMCH-UHFFFAOYSA-N 436.533 3.478 0 50 IGAA O=C(CCC1CCN(C(=O)CCc2cccnc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12308184 ORCPXPGNWBYMIR-RUZDIDTESA-N 448.611 3.424 0 50 IGAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)COc2ccccc2OC)CC1 12760597 LSPZLPCNFUCRHY-UHFFFAOYSA-N 441.524 3.497 0 50 IGAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)C1(N2CCOCC2)CCCCC1 19224699 ARBGMGRSMXZTQE-NRFANRHFSA-N 439.531 3.343 0 50 IGAA COC(=O)c1ccccc1C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55099261 XQNNOXDFXAGZHW-HXUWFJFHSA-N 425.504 3.039 0 50 IGAA COc1ccccc1N1C(=O)C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 100025803 PBLOFXYIUHWTFT-GOSISDBHSA-N 433.430 3.168 0 50 IGAA CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100563805 SCWKJNHVCPSDBA-SJLPKXTDSA-N 426.270 3.081 0 50 IGAA COc1ccc([C@H]2Cn3nnc(-c4noc(CCc5cccc(OC)c5)n4)c3CO2)cc1 169769080 GMHNNJAYPZOINC-HXUWFJFHSA-N 433.468 3.402 0 50 IGAA CN(C[C@@H]1CCCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C 170607399 ZZIMQDVPNYUKQC-IBGZPJMESA-N 440.629 3.118 0 50 IGAA O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc(Br)cc5)[C@H]34)[C@H]2C(=O)N1c1ccccn1 238899738 HDCGBPKOWHLDLJ-XFRLJCTCSA-N 438.285 3.224 0 50 IGAA O=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCCC2)CC1 263618951 WGIFKXYVIGNSJH-OAQYLSRUSA-N 440.519 3.158 0 50 IGAA O=C(NCCS(=O)(=O)c1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1F 263639888 NGNBNYUFLYWNRA-UHFFFAOYSA-N 428.766 3.236 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 409413605 CNERGUVGRNBIAY-NNWRFLSQSA-N 440.588 3.348 0 50 IGAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 485691073 IKLJTZGXPRDQIW-SFHVURJKSA-N 426.270 3.287 0 50 IGAA C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782735149 CGWXCIGLSXMNHY-MEDUHNTESA-N 434.411 3.329 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)[C@H]2CCCc3ccccc32)CC1=O 2325819397 DBRVAOPSBARPLQ-BSIFCXSSSA-N 426.538 3.120 0 50 IGAA C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 2325850347 VLPITJOGIKJFDV-KSFYIVLOSA-N 432.524 3.335 0 50 IGAA O=C(C[C@@]1(O)C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2 2863279 BJZYENZTGODKCC-SANMLTNESA-N 445.471 3.344 0 50 IGAA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1OC 9410639 MGJJTHVWXMJXAY-SUMWQHHRSA-N 440.422 3.033 0 50 IGAA Cc1cc(C)c(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C 14961384 JPHWZLRYYMXZOC-UHFFFAOYSA-N 435.547 3.260 0 50 IGAA O=S(=O)(c1ccc(NC(=S)NCCCCc2ccccc2)cc1)N1CCOCC1 17098601 BBBQWZSTIYLWCB-UHFFFAOYSA-N 433.599 3.017 0 50 IGAA O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1N1CCNCC1)c1ccc(Cl)cc1 19811277 IRCARNCHRGIKND-FCHUYYIVSA-N 427.957 3.473 0 50 IGAA Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1 34851244 PRXXYMVLYKJITB-IZZDOVSWSA-N 447.520 3.360 0 50 IGAA investigational CCOC(=O)c1cnc2c(F)cc(F)cc2c1OCC(=O)Nc1ccc(C(=O)OC)cc1 170600454 JQBCFDVOPNXSOK-UHFFFAOYSA-N 444.390 3.494 0 50 IGAA C[C@H]1CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@H](C)O1 253418289 NSBUMOZRVJKOTQ-GJZGRUSLSA-N 433.911 3.343 0 50 IGAA CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 749990079 LOSNTQMLACQRRK-UHFFFAOYSA-N 446.529 3.003 0 50 IGAA Cc1cncc(-c2cn(C[C@@H]3CCCCN(C(=O)c4ccc5c(O)ncnc5c4)C3)nn2)c1 2325868678 GIBNICGRFRZQNV-QGZVFWFLSA-N 443.511 3.240 0 50 IGAA CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)s1 2700574 NTDQDJMDEKLQRB-UHFFFAOYSA-N 426.589 3.385 0 50 IGAA C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2cscn2)c1 11789641 GJXPTFYGSIJAIG-OAHLLOKOSA-N 425.558 3.184 0 50 IGAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1 12090596 JXCDERPUEKZJKE-LJQANCHMSA-N 433.508 3.305 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)CC(F)(F)F)C1 12302299 JVPHUJCGJMZUPR-MRXNPFEDSA-N 429.407 3.045 0 50 IGAA O=C(NCc1cccc(-n2cccn2)c1)c1cn(Cc2ccccc2C(F)(F)F)nn1 12458074 BTNOERYKFZELOR-UHFFFAOYSA-N 426.402 3.461 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(=O)OC 16382596 NDGSUSDPURJSSJ-IBGZPJMESA-N 425.510 3.303 0 50 IGAA Cc1ccc(NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(OCc2ccccc2)c1 170591920 NSUBUJFNZRISNW-WMZHIEFXSA-N 444.553 3.432 0 50 IGAA C[C@@H]1CCCCN1C(=O)CN1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 170601565 JZMPUYMAOIIEAE-RTWAWAEBSA-N 436.641 3.042 0 50 IGAA CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239425884 VKSWWKVSUNCTGB-LSEZITDHSA-N 441.911 3.144 0 50 IGAA COc1ccc(C(=O)CCC(=O)NC[C@H]2Cc3cc(F)cc(-c4cncnc4)c3O2)cc1 299761629 XBCFKNJARDUVFU-HXUWFJFHSA-N 435.455 3.374 0 50 IGAA CCOc1ccc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1Cl 670462200 UAUMZPSFAQCGDG-IGSLEHJCSA-N 425.960 3.036 0 50 IGAA CS(=O)(=O)c1cc(S(=O)(=O)NCC2(Cc3ccccc3)CCCC2)ccc1F 778654023 UKJDTAMTPGXZFZ-UHFFFAOYSA-N 425.547 3.311 0 50 IGAA NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)c1cc(-c2ccccn2)nc2ccccc12 825358517 AZXBTWNBZLRUMX-IBGZPJMESA-N 439.475 3.304 0 50 IGAA CC(=O)c1cn([C@@H](C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c2ccccc12 827654568 SNYCVERHBKCPMD-YJZCBDCGSA-N 432.528 3.256 0 50 IGAA CC(C)CN1C[C@H](c2noc(-c3cc(Br)cc4nc(O)[nH]c34)n2)CCC1=O 1875270703 XCXXAGQBWIVZOT-SNVBAGLBSA-N 434.294 3.443 0 50 IGAA COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c(F)c1F 4058193 UZFIUDUWRYQMNT-UHFFFAOYSA-N 425.382 3.172 0 50 IGAA Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCCN(C(=O)Cn1cccn1)C2 11782550 DIRDYBCFNUMHMH-NRFANRHFSA-N 433.508 3.447 0 50 IGAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)CCN3CCCO3)CC2)c(Cl)c1 11815223 QJCXMOUAGMZWRL-UHFFFAOYSA-N 449.979 3.410 0 50 IGAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 12228041 QBVWUFIFXMSEJN-IBGZPJMESA-N 440.548 3.184 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1)NCc1ccccc1F 12585438 VYFONSCAYZQUTM-QGZVFWFLSA-N 439.531 3.342 0 50 IGAA Cc1nc(C(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cs1 14961231 YFJQBCKPVKBVLB-MRXNPFEDSA-N 429.571 3.292 0 50 IGAA COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1C 14973577 FUVQWJIRWNDQIS-GFCCVEGCSA-N 435.527 3.077 0 50 IGAA C=CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cnc(-c3ccccc3)s1)CC2 14991441 KADDAGUQQYBBHD-IBGZPJMESA-N 425.554 3.352 0 50 IGAA COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1I 16400664 MMMZFAJJTMNEQQ-UHFFFAOYSA-N 437.686 3.432 0 50 IGAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 19112749 XZXZUOVUJRGTIN-UHFFFAOYSA-N 447.938 3.454 0 50 IGAA CCN1CCN(c2nccc(-c3cnc4nc(-c5ccc(Cl)cc5)nn4c3C)n2)CC1 54202029 VKBSFZNCHFSDDX-UHFFFAOYSA-N 434.935 3.352 0 50 IGAA Cn1cc([C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@H]3C(=O)NC(=O)[C@H]32)c2ccccc21 136494908 PDJBKKIFEUERCR-OKZBNKHCSA-N 447.541 3.270 0 50 IGAA CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@@H](C(=O)c3cccs3)N2c2ccccc21 245255297 HEKGQDHENBWUHA-WTCRCIIGSA-N 448.544 3.385 0 50 IGAA O=C1C[C@H](C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c2ccc(F)cc2N1 446639904 UKASZOBZRHKIJU-WMZOPIPTSA-N 435.455 3.419 0 50 IGAA O=C(NC[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 495026401 FQBKILIQJLCWTD-MOPGFXCFSA-N 430.545 3.463 0 50 IGAA O=C(Nc1cccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1)[C@H]1Cc2ccccc2O1 732773325 PFMARWOHYXQZJW-JTHBVZDNSA-N 447.535 3.246 0 50 IGAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccc4c(c3)CCC(=O)N4C)C2)cc1 775922215 SLWKOJJBAYEKAG-HXUWFJFHSA-N 441.597 3.095 0 50 IGAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NCCC(=O)Nc2nc3ccccc3s2)o1 1857526741 VSWQNYCZKIKVEL-UHFFFAOYSA-N 429.498 3.076 0 50 IGAA COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 624242 GAPOLTMLUJJFQF-UHFFFAOYSA-N 434.319 3.161 0 50 IGAA Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 758042 IOXXNJMBKABMCY-UHFFFAOYSA-N 427.570 3.132 0 50 IGAA COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)cc1 1078999 ILKNDDOHDOFVQZ-FQEVSTJZSA-N 449.467 3.010 0 50 IGAA COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2)c1 8583890 BIJMAUSXZLIXNT-UHFFFAOYSA-N 427.526 3.478 0 50 IGAA O=C1CCCCN1CC(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 11938596 QKXARWMHHYCQTK-QFIPXVFZSA-N 426.605 3.467 0 50 IGAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 12155016 AFEHPXMVGQVGHZ-HXUWFJFHSA-N 444.491 3.482 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@@H](c2ccco2)C(F)(F)F)c1=O 12191108 WDVVSGZWWKAVLY-IBGZPJMESA-N 447.413 3.273 0 50 IGAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)CCC(=O)N(C)C)C3)c1 12283518 PYYVUGZNLAGTEL-GOSISDBHSA-N 426.488 3.292 0 50 IGAA COc1ccc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1 12449385 BMCIPXTWFYIZMK-NRFANRHFSA-N 435.528 3.183 0 50 IGAA O=C1CN(C2Cc3ccccc3C2)C[C@@H](OCc2cccnc2)CN1Cc1ccccc1 14733346 ZOFRSFXWIHTNSD-AREMUKBSSA-N 427.548 3.479 0 50 IGAA O=C(O)CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 16115306 HBHPIMKDJNRTAN-OQLLNIDSSA-N 437.677 3.074 0 50 IGAA O=C1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CN1CCc1c[nH]c2ccc(F)cc12 16650660 HSUMHHDWAOIGHD-IBGZPJMESA-N 434.515 3.047 0 50 IGAA Cc1ccsc1CN1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 64158184 RKWFQRFFYVBMJE-QGZVFWFLSA-N 425.554 3.154 0 50 IGAA C[C@H]1CN(Cc2csc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 170601235 HEKOXWIARBTNSP-IIYDPXPESA-N 443.491 3.313 0 50 IGAA C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H](c1ccccc1)N(C)C 170606617 BJDFDRUOCUMSMI-VGSWGCGISA-N 438.553 3.304 0 50 IGAA Cc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239308798 GZFWBGIJYFEBSI-AQPSJQEXSA-N 429.314 3.139 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOc2ccc(C)c(C)c2)C1 1857704540 WNHKWSRFGMTHCO-MVERNJQCSA-N 443.632 3.011 0 50 IGAA COc1ccc2c(c1)cc(C(=O)N1CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]14)n2C 1857729124 KBDOCLMDNPERAP-RQTOMXEWSA-N 431.492 3.102 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(Cl)c(Cl)c2)cc1 1075337 BBWGMCDRGGNNOF-UHFFFAOYSA-N 443.352 3.356 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1I 1079810 RVFUVHKIAGPDEO-UHFFFAOYSA-N 446.266 3.059 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1220785 BXVHJIHVHYBJGT-UHFFFAOYSA-N 444.431 3.287 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 9971447 UPOVQQOZZLOFFF-UHFFFAOYSA-N 446.978 3.321 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2cccc(C)c2)sc2c1CCN(C(=O)C(C)C)C2 11788392 XVUPTLMHSDOPSO-UHFFFAOYSA-N 436.555 3.185 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)NCc3nc4c(s3)CCCC4)CCC(=O)N2)cc1 12035146 PNFRJGAARWENSQ-HSZRJFAPSA-N 427.570 3.318 0 50 IGAA O=C(COc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 12194016 GEMDHLHCAOSOPO-UHFFFAOYSA-N 441.535 3.185 0 50 IGAA O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1 19922440 XMSOUXYFGBYYFX-UHFFFAOYSA-N 434.359 3.408 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)cc1 20783845 UNEGDNKOAICFCG-UHFFFAOYSA-N 447.583 3.441 0 50 IGAA COCCn1c(CN(C)Cc2cc(-c3ccccc3)on2)cnc1S(=O)(=O)CC1CC1 23340589 XQWSOWKLRBOFKD-UHFFFAOYSA-N 444.557 3.000 0 50 IGAA Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)cc1 239105259 IDCGOHWPCVBUIU-UKQIRBPLSA-N 447.531 3.333 0 50 IGAA COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263585458 IXCCWXSHVHVRPO-MRXNPFEDSA-N 443.452 3.111 0 50 IGAA biogenic COc1ccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1OC 263619284 XXCQVLPMMBJKLX-MRXNPFEDSA-N 435.528 3.480 0 50 IGAA CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)Nc2nc3c(s2)Cc2ccccc2-3)C1 1875263121 UURVOUQINFWCMZ-DZGCQCFKSA-N 442.541 3.026 0 50 IGAA COCCN(c1ncc(F)cn1)C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1875309768 MJTLFAGWPGZKAG-UHFFFAOYSA-N 435.503 3.435 0 50 IGAA Cc1ncc(S(=O)(=O)NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)s1 2325744659 CIMJHLUSTPYMCX-QGZVFWFLSA-N 437.587 3.009 0 50 IGAA O=C(Nc1ccc(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)cc1)OCc1ccccc1 2325853803 CFNJXRXZCWBUML-LEWJYISDSA-N 446.463 3.345 0 50 IGAA C[S@](=O)(=NC(=O)c1coc(C(F)(F)F)n1)C1CCN(c2ncc(Cl)cn2)CC1 2332239182 ZPRZFCKEQFSGOL-MUUNZHRXSA-N 437.831 3.044 0 50 IGAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 1109776 XISLVINSHCUZAC-UHFFFAOYSA-N 445.585 3.218 0 50 IGAA O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCN(c2nc3ccccc3s2)CC1 11813633 SAJVQNDNLPPMJN-UHFFFAOYSA-N 440.479 3.177 0 50 IGAA O=C(c1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1)N1CCC[C@@H](O)C1 12470596 OBEJSHXSVZOQQD-OAQYLSRUSA-N 429.511 3.320 0 50 IGAA CCCCc1nnc(NC(=O)[C@H](C)Sc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)s1 13544924 BVUZRKPPTVHJAW-LBPRGKRZSA-N 445.570 3.380 0 50 IGAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2csc(C)n2)c1=O 15067750 KELDKRVLJAJJDC-OAHLLOKOSA-N 438.553 3.097 0 50 IGAA O=C1c2ccccc2C(=O)N1CC(=O)n1nc(-c2ccco2)nc1NCc1cccs1 16474608 LACQJBHUMYJIGT-UHFFFAOYSA-N 433.449 3.148 0 50 IGAA CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cc(F)ccc4F)CC3)c2c1 20213118 HZVUNGJKWPBVCE-UHFFFAOYSA-N 441.478 3.390 0 50 IGAA COc1ccc(C)cc1NC(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 20357178 UKXMGSXXWXWXOF-UHFFFAOYSA-N 435.524 3.175 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)CCc2nc3ccccc3[nH]2)n1Cc1ccccc1 23368123 BZIAGGHULBWHGM-UHFFFAOYSA-N 437.569 3.276 0 50 IGAA COc1ccc(CNC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1OC 263617461 NXGOCKDSPIETDR-UHFFFAOYSA-N 449.555 3.158 0 50 IGAA CC[C@@H](C)[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 1772492676 SJJPFWCDFGSICB-RFVSGWPVSA-N 433.512 3.297 0 50 IGAA Cc1cc(NC(=O)C(=O)N2CCN(CCc3ccc(F)cc3)CC2)c2cccnc2c1C 2325747554 KQWUAUYFTVGCJD-UHFFFAOYSA-N 434.515 3.316 0 50 IGAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCCC[C@@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325898041 QFNGXWTZGSQUCB-NHCUHLMSSA-N 446.507 3.207 0 50 IGAA COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1 1205452 NGNWSQOADUILAG-NBVRZTHBSA-N 445.313 3.087 0 50 IGAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 2794541 NAXFNKFTBCAHFP-UHFFFAOYSA-N 430.255 3.307 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(C(C)=O)c2)CC1 12386847 HRTFLKPNPBSTDE-UHFFFAOYSA-N 440.540 3.317 0 50 IGAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N[C@@H](c1ccccn1)C(F)(F)F)C2 12508483 ITWVQXXQDLBJAN-PSLIRLAXSA-N 426.420 3.052 0 50 IGAA COCCN1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@H]2CCCO2)CC1 14968833 IWKQMYDMRFLSHO-QGZVFWFLSA-N 431.046 3.202 0 50 IGAA COCc1c(C(=O)NCc2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 15002696 BWADDACUFMBYOK-UHFFFAOYSA-N 440.507 3.289 0 50 IGAA CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 15277328 AZBSGWVLSIDXON-BOPFTXTBSA-N 434.495 3.000 0 50 IGAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)c1 19838677 ZXCKCBFDPRKOFU-OAHLLOKOSA-N 441.482 3.114 0 50 IGAA O=C(O)[C@@H](CCCCNC(=S)NC1CCCCC1)NC(=S)NC1CCCCC1 22239140 JZQDJYBFCLPQOD-QGZVFWFLSA-N 428.668 3.204 0 50 IGAA COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CCN(Cc1ccccc1C)CC2 23128431 SDMJRFJQTWROAD-UHFFFAOYSA-N 447.535 3.018 0 50 IGAA CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@]2(CC=CCC2)C1 170626820 DZGPBUQWZHGSAO-CVDCTZTESA-N 429.586 3.489 0 50 IGAA CCS(=O)(=O)Nc1cccc(N2CCC(NCc3cccc(-n4cccn4)c3)CC2)c1 299773854 GHRQOZUOKZFMIW-UHFFFAOYSA-N 439.585 3.393 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccccc1CC)C2 1857693832 OKBMDOAFJQPOKO-DNRQZRRGSA-N 428.573 3.145 0 50 IGAA C[C@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)c1cccc(N2CCCS2(=O)=O)c1 1875260036 MPFUEYJRBWYGSH-ZDUSSCGKSA-N 444.538 3.056 0 50 IGAA CC(C)(C)c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 2325729295 NBOWAOVKXHTIBT-MRXNPFEDSA-N 433.578 3.168 0 50 IGAA Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NCc1cccnc1 1114229 BIFFKIGHJLUSCT-UHFFFAOYSA-N 444.520 3.435 0 50 IGAA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1Cl)[C@H]1C(=O)c3ccccc3C1=N2 13512042 VQLRJUHFEBTSPY-HUUCEWRRSA-N 440.286 3.470 0 50 IGAA Cc1ccc(CNC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CC[C@H](C)C3)cc1 17097018 PQGOXFUJOMWBQU-AWEZNQCLSA-N 430.526 3.151 0 50 IGAA Cc1ccc(-c2noc(CCC(=O)N3CCN(c4ccccc4)CC3)n2)c(=O)n1C(C)C 46020602 OBZWVYLXLWIVAC-UHFFFAOYSA-N 435.528 3.069 0 50 IGAA O=c1c2cc(CS(=O)(=O)NCc3ccccn3)ccc2ccc2ncc(Cl)cc12 113742286 ZEMHHWYXYFSKFJ-UHFFFAOYSA-N 425.897 3.416 0 50 IGAA Cc1nc(CN2CCC(CNC(=O)c3cnc4c(F)cc(F)cc4c3O)CC2)oc1C 170600248 GOFIQLIFPLMHEG-UHFFFAOYSA-N 430.455 3.465 0 50 IGAA CCCCn1c(N)c(N(C(=O)CN2CC[C@@H]3CCCC[C@H]3C2)C2CCCC2)c(O)nc1=O 241897370 TYCUCMYWALTASJ-ROUUACIJSA-N 445.608 3.119 0 50 IGAA COc1ccc(-c2nn3ccn(CC(=O)Nc4c(C)cc(C)cc4C)c(=O)c3c2CO)cc1 263618773 VLDXRROAMRTXKK-UHFFFAOYSA-N 446.507 3.228 0 50 IGAA CN1C(=O)C[C@@](CC(=O)N2CCC3(C=Cc4ccccc43)CC2)(c2ccccc2F)C1=O 299780891 AFBLWKJUBKKBPU-AREMUKBSSA-N 432.495 3.430 0 50 IGAA O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1CCN(c2cccc(O)c2)CC1 494352988 STWQDTISAAQMBJ-UHFFFAOYSA-N 432.406 3.346 0 50 IGAA O[C@@H]1C[C@H](c2ccccc2)OC2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)C1 1857671624 LVLVWCHWLJELDA-TZIWHRDSSA-N 429.586 3.227 0 50 IGAA O=C(NC[C@@H](c1cccc(O)c1)N1CCCC1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1875260538 VRLZBIXIFFWFSY-UKILVPOCSA-N 441.547 3.305 0 50 IGAA Cc1cc(C)n(CCC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(=O)n1 2356159828 RNWZSICJISRQHV-SANMLTNESA-N 443.551 3.214 0 50 IGAA COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)C(F)(F)F)CC2 4583474 BXGLTIXFXLUVOH-ZDUSSCGKSA-N 439.386 3.111 0 50 IGAA biogenic CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11703849 WIOCYEONRUITRP-OAQYLSRUSA-N 433.600 3.449 0 50 IGAA Cc1nc(C)c(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)s1 11841015 BCYSJGFHLLFYIS-HXUWFJFHSA-N 432.571 3.184 0 50 IGAA O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCN(c2ncccn2)CC1 12056949 KVJOAQHXSKSSEC-UHFFFAOYSA-N 433.512 3.275 0 50 IGAA COC(=O)c1cc(CNC(=O)C2CCC2)cc(NS(=O)(=O)c2ccccc2Cl)c1 12331849 OOPBASNZHWZCSW-UHFFFAOYSA-N 436.917 3.344 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12380797 QOZGJWSLLOMPKT-SNVBAGLBSA-N 431.297 3.086 0 50 IGAA CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20352210 CBYCBKAPOXNGGK-QFIPXVFZSA-N 436.483 3.372 0 50 IGAA CCOC(=O)C[C@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 20541554 KTCLMUXLFFGWPQ-HXUWFJFHSA-N 447.601 3.227 0 50 IGAA O=C1CN(Cc2ccc(O)cc2)C[C@H](OCc2ccncc2)CN1CCc1ccccc1 20854797 SMFBLYUZBQGLIW-VWLOTQADSA-N 431.536 3.260 0 50 IGAA C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCCN(C)S(=O)(=O)c1ccc(F)cc1 225413658 OPKMJZVMMJJLOR-APWZRJJASA-N 443.585 3.071 0 50 IGAA COc1ccccc1CC(=O)N1CCC(NC(=O)Cc2ccc([Si](C)(C)C)cc2)CC1 225504862 DAXAUPDTDNXMPM-UHFFFAOYSA-N 438.644 3.133 0 50 IGAA COCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O 299772434 XSKNJFQMBZSBKU-OAQYLSRUSA-N 434.945 3.093 0 50 IGAA O=C(c1cccc(Nc2ccccc2)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 735649828 LEPILDQORMQWAC-UHFFFAOYSA-N 446.532 3.337 0 50 IGAA Cc1noc2nc(C(C)C)cc(-c3nc(C[C@](O)(c4nccn4C)C(F)(F)F)no3)c12 761438475 QVSWEWXINKULHL-SFHVURJKSA-N 436.394 3.431 0 50 IGAA Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(OCCN2CCOCC2)cc1)N3 877844133 DUPOLWGDJJUIFG-NRFANRHFSA-N 438.553 3.478 0 50 IGAA Cc1nsnc1C(=O)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857702504 LYRHQKMIUBZWOJ-LJQANCHMSA-N 442.585 3.475 0 50 IGAA NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 1875255540 AVOYOSOWOWCISW-QFIPXVFZSA-N 429.476 3.104 0 50 IGAA CN(C(=O)c1cccnc1Oc1ccccc1Br)C1CCS(=O)(=O)CC1 1875262736 JGOFYOJIOWWWCY-UHFFFAOYSA-N 439.331 3.286 0 50 IGAA O=C(NC[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2[nH]c(O)nc12 2325878418 OMBBPLOMMPWXJN-LLVKDONJSA-N 434.296 3.165 0 50 IGAA CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)sc(C(C)=O)c1C 2623754 OHDWILKDWYHWQT-UHFFFAOYSA-N 445.526 3.347 0 50 IGAA COc1ccc(OC)c(Cc2nnc(CCC(=O)NCCCc3scnc3C)o2)c1 12057028 SGOHRPDULIVLRP-UHFFFAOYSA-N 430.530 3.124 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)CCc2ccccc2)C1)N1CCN(c2ccccn2)CC1 12302480 FDSSGBSFEMNLAD-HSZRJFAPSA-N 434.584 3.382 0 50 IGAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NC1CCN(Cc3ccccc3)CC1)C2 14531263 KZTNRZVHUFYYOV-JOCHJYFZSA-N 435.616 3.251 0 50 IGAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1-c1ccco1 299788831 WCDTYKGHONTMPR-UHFFFAOYSA-N 447.451 3.036 0 50 IGAA CN(C[C@H]1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)C(=O)OC(C)(C)C 729477924 TXDKIDFVWRSYJS-CQSZACIVSA-N 440.470 3.370 0 50 IGAA COc1cccc(CN2CCN(C(=O)[C@H](c3ccc(F)cc3)N3CCCCC3)CC2=O)c1 824781011 CYRAEHZUOZRUTD-DEOSSOPVSA-N 439.531 3.232 0 50 IGAA O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529142154 ZZJFVCIWFGHYDW-GHTZIAJQSA-N 433.430 3.010 0 50 IGAA COc1cccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 1052448 FUMQPMZOKOLFGY-INIZCTEOSA-N 449.326 3.462 0 50 IGAA CCOC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl 3130117 LGEBIMKKALCMOB-NSHDSACASA-N 428.725 3.202 0 50 IGAA CO[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 11816028 ZURLONQLJNWPIB-MHECFPHRSA-N 430.520 3.183 0 50 IGAA Cc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11938261 ZYGYZECAXVBKHU-UHFFFAOYSA-N 433.556 3.439 0 50 IGAA Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4COCCO4)c3C3CC3)n2)c(C)s1 12128403 GVZYIVKPHGYVLY-MRXNPFEDSA-N 439.541 3.030 0 50 IGAA O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)Nc1ccc(CCO)cc1 12391379 IMSDTEJBHGOWLZ-UHFFFAOYSA-N 426.904 3.063 0 50 IGAA Cc1cccn2c(CNC[C@H]3CCCN(c4ncccn4)C3)c(C(=O)N3CCCCC3)nc12 19594857 HXOMVYQILSIEEA-HXUWFJFHSA-N 447.587 3.065 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 82230348 DFDJXCGHKKVSBJ-UHFFFAOYSA-N 430.940 3.483 0 50 IGAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nn2)n1 169778658 RXKVYWRQVYRRJP-CYBMUJFWSA-N 436.394 3.437 0 50 IGAA CCn1ccnc1CN1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[C@H]1C 242273702 YFFHLZQTHVPJKD-OAHLLOKOSA-N 431.466 3.485 0 50 IGAA CCN(CC)c1ccc([C@@H]2c3c([nH][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 245256505 QCRWDEYAJVFLBJ-WHSBFGAESA-N 449.551 3.348 0 50 IGAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1c(F)ccc(F)c1F)CCO2 299759296 FRPWURKKXONSJG-HXUWFJFHSA-N 433.474 3.209 0 50 IGAA O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 430475142 RCHQZJIZBPGXCM-UHFFFAOYSA-N 425.510 3.188 0 50 IGAA COc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)ccn1 1857705595 NQDVDDAYJXZBND-OAQYLSRUSA-N 437.540 3.329 0 50 IGAA COc1ccc(C(=O)Nc2nc(C)c(-c3nnc(S)n3C)s2)cc1-c1ccn(C)n1 2325720501 YZETWKAOVPTNFA-UHFFFAOYSA-N 441.542 3.197 0 50 IGAA O=C(N[C@@H]1CCOC2(CCS(=O)(=NC(=O)[C@H]3CCC[C@H](F)C3)CC2)C1)c1ccco1 2332238192 FNQKOWAGJTXEBH-OEOKNBIFSA-N 440.537 3.244 0 50 IGAA CCc1cc(N2CCC([S@](C)(=O)=NC(=O)c3ccc4c(c3)OCC4)CC2)nc(C)n1 2332238665 HFFHODRBHYKEGC-PMERELPUSA-N 428.558 3.189 0 50 IGAA CCOc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 652243 UITJOQXQAYEYED-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4611616 MNGJXXOGLLZAJR-DZFGPLHGSA-N 426.513 3.228 0 50 IGAA biogenic CCOC(=O)/C=C/C(=O)Nc1ccccc1-c1ccccc1NC(=O)/C=C/C(=O)OCC 8687572 IFBXZGNMQKYVQK-WXUKJITCSA-N 436.464 3.469 0 50 IGAA biogenic,in-vitro COc1cc(CNCCCn2ncc3ccccc32)ccc1OC[C@@H](O)CN(C)C(C)C 12477045 PBDZFFFJQGWKQD-QFIPXVFZSA-N 440.588 3.305 0 50 IGAA CCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1ccccc1-n1cccn1)CC2 14538534 SUQQTJXDXUZKDP-UHFFFAOYSA-N 435.528 3.490 0 50 IGAA COc1ccc(S[C@@H]2C[C@@H](C(=O)NC3CC3)N(Cc3ccc(OC)c(O)c3)C2)cc1 19112884 XFJZEFBGXJKRFV-UXHICEINSA-N 428.554 3.423 0 50 IGAA O=C(Cc1ccc(N2CCC(NCCc3cnccn3)CC2)cc1)NCc1ccccc1 20598935 CTEUWYHGFZNORT-UHFFFAOYSA-N 429.568 3.137 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)Nc1ccc(F)c(F)c1 169758067 NILACHXVGSZVIX-GOSISDBHSA-N 433.798 3.134 0 50 IGAA COc1ccc([C@@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)O)c(OC)c1 170614213 RMGRFFPAXFVZTJ-IBGZPJMESA-N 442.468 3.264 0 50 IGAA Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1Br 225796925 KASBVZIVLHQMCA-UHFFFAOYSA-N 437.315 3.186 0 50 IGAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CC[C@@H](n2cc(C(=O)N3CCCC3)nn2)CC1 244712697 KURXCKSUTBDHFO-CALCHBBNSA-N 433.915 3.149 0 50 IGAA Cc1cc2ccccc2n1CCNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 670445156 GHCQRXJCVTYZEQ-FQEVSTJZSA-N 434.540 3.055 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc3sc(C)nc3c2)cc1OC 1529094716 KCGDWOLOYFSARN-TZIWHRDSSA-N 428.510 3.197 0 50 IGAA O=C(OCc1cc(O)nc(O)n1)c1ccccc1C(=O)c1ccc(Br)cc1 1875257438 YVECRTXYMHTRKP-UHFFFAOYSA-N 429.226 3.238 0 50 IGAA O=C(O)c1ccccc1CCC(=O)N1CCCC[C@H](Cn2cc(-c3cncs3)nn2)C1 1875327123 RORMQXINTQCLGS-INIZCTEOSA-N 439.541 3.361 0 50 IGAA CCCc1noc2nc(-c3cccnc3)cc(C(=O)N[C@H](CO)Cc3ccc(O)cc3)c12 2325745102 OBJQFCDDPVNLNN-KRWDZBQOSA-N 432.480 3.276 0 50 IGAA O=C(O)C[C@@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1nccs1 2325877101 IYMRBOVODJYOBA-QLJPJBMISA-N 445.444 3.225 0 50 IGAA COC(=O)c1c(NC(=O)c2ccn(Cn3cc(Br)cn3)n2)sc(C)c1C 2782910 CZCFKDUPCITQRO-UHFFFAOYSA-N 438.307 3.065 0 50 IGAA COc1cccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c1 2985753 FCSPCWBMPHCDOX-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA Cc1nc(N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)nc2cc(S(C)(=O)=O)ccc12 12199089 VZQMFOJCMAALNG-GOSISDBHSA-N 444.601 3.255 0 50 IGAA CN(CCOc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12430449 PMQUMQZHMONYTF-XMMPIXPASA-N 431.536 3.068 0 50 IGAA CC[C@@H](COC)NC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC 12456258 BRBDUZMRNRHHBN-HNNXBMFYSA-N 429.546 3.309 0 50 IGAA COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 13607514 OBSYBRPAKCASQB-AGQYDFLVSA-N 432.469 3.000 0 50 IGAA investigational CN(Cc1ccc2c(c1)OCCO2)Cc1nnc(SCCOc2ccccc2)n1C 55166420 GSAKXBLIJIANBM-UHFFFAOYSA-N 426.542 3.389 0 50 IGAA CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(Br)c4)CC3)nn2)n1 169777467 ZNEBDFIDIHWCQU-UHFFFAOYSA-N 431.294 3.130 0 50 IGAA CN(C)c1cccc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778060 GBVWLWQUYCRWKB-LJQANCHMSA-N 429.484 3.148 0 50 IGAA CN(C[C@H]1CCCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C 170607398 ZZIMQDVPNYUKQC-LJQANCHMSA-N 440.629 3.118 0 50 IGAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(OC)c3OC)C2)c1 225849195 FMXFNGSEXQMYIK-SFHVURJKSA-N 442.468 3.264 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc(C(C)=O)cc6)C(=O)[C@@H]54)[C@H]23)cc1 245256750 SGFCGXPPKHOTIJ-NWGYLYAPSA-N 430.460 3.072 0 50 IGAA COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2N1 1875361479 SWXYGIHKZVVKDT-VXKWHMMOSA-N 433.483 3.458 0 50 IGAA COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2ccc(F)c3cnccc23)cc1OC 2325839662 APPDEYQMIRKHOT-AWEZNQCLSA-N 426.444 3.295 0 50 IGAA CCO[C@H](C(=O)N1CCC[S@@](=O)(=NC(=O)[C@@H](CC)OC2CCCCC2)CC1)C1CC1 2332238270 JUIUCRVKYGHIDA-WMUWJOOSSA-N 442.622 3.156 0 50 IGAA COc1ccc(N(C[C@H](O)Cn2cnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 895629 NFLTUNORMGOSRV-LJQANCHMSA-N 437.521 3.301 0 50 IGAA COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)ccc1OCC(=O)O 2977819 JPGNJVSHOVCPPV-GOSISDBHSA-N 426.454 3.236 0 50 IGAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1O 8781323 KCGJPQIGKYTZQW-GOSISDBHSA-N 432.860 3.304 0 50 IGAA biogenic,in-vitro CC(=O)Nc1ccc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)cc1 11908831 IZRDKLINGFJEIT-AREMUKBSSA-N 448.567 3.458 0 50 IGAA Cc1c(C(=O)N(C)[C@H]2CCOC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 11979243 FAXJBTVCFBJHAS-AWEZNQCLSA-N 426.498 3.201 0 50 IGAA CC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 12148722 PCJUFVRSGWMOOT-SANMLTNESA-N 433.552 3.016 0 50 IGAA O=C(CSc1ccccc1)Nc1cnn(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)c1 12246960 MWFNNKYNPJYPOP-LJQANCHMSA-N 449.458 3.429 0 50 IGAA COc1ccc(-c2noc(CN3CCC(CN4CCCCC4)CC3)n2)c(OC)c1OC 12597672 RFJFGRRGSKBBPI-UHFFFAOYSA-N 430.549 3.460 0 50 IGAA COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O 114005494 KVHRYLNQDWXAGI-UHFFFAOYSA-N 428.427 3.419 0 50 IGAA in-vitro Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 170631059 OFACAPJSTXBFJN-QAPCUYQASA-N 432.590 3.400 0 50 IGAA O=C(NCCc1csc(=O)[nH]1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 225700010 VJCUVKNVGZUEPP-IRLDBZIGSA-N 435.549 3.275 0 50 IGAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239254605 YMADUIMTEXLGIQ-PAUSBUDFSA-N 429.314 3.003 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCOc3ccccc32)c(C)c1 241124377 JHSWPGOFRIRHKB-VQTJNVASSA-N 428.554 3.405 0 50 IGAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3O)cc2C)cc1 245247953 ZONUHVGTMYMEEA-FCHUYYIVSA-N 446.569 3.204 0 50 IGAA Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 253429429 TUGFBXGLMRTHGT-HSZRJFAPSA-N 436.489 3.209 0 50 IGAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCCN1CCCc2ccccc21 299781349 DPJZHXULLYXMRJ-UHFFFAOYSA-N 449.580 3.183 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 409414605 NIIYAGOWCIKFTN-FCEUIQTBSA-N 440.588 3.396 0 50 IGAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)C1 485134718 HHIRNMDWOVVNFZ-CQSZACIVSA-N 439.969 3.195 0 50 IGAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CC2(CCCC2)c2cccc(Cl)c21 486400308 JNTYXOVZDDKNOV-UHFFFAOYSA-N 437.935 3.248 0 50 IGAA CCOCCOc1c(Cl)cccc1NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 488350414 CXFXGZGDPVZPEM-IKRHFZKASA-N 432.948 3.386 0 50 IGAA COc1ccc2c(C)c(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)oc2c1 670434003 PJUBMYNAURVJPC-OUXPZVHUSA-N 431.536 3.047 0 50 IGAA COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089811 JJRHJVSMZMAANI-SFHVURJKSA-N 427.526 3.245 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2c(C)nc(O)nc2O)cc1 1875262676 ZGWLHTRNHVFRSD-JOCHJYFZSA-N 435.524 3.454 0 50 IGAA O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1)N1CCC[C@@H]([C@H]2CCNC2)C1 1875348871 FPTMYAGYOSDEMB-LEWJYISDSA-N 427.570 3.090 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)CC1 1875365017 WUJGPVSLWFRGLR-NHCUHLMSSA-N 441.572 3.320 0 50 IGAA CC(C)[C@@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1)N1CCCCC1 2332238368 OTLUTDGPTDRBRE-OKZVBRKOSA-N 449.661 3.016 0 50 IGAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(Cl)c2)cc1 1070707 NDJFZLKLYHVOBX-UHFFFAOYSA-N 435.871 3.005 0 50 IGAA COC(=O)c1cc(Cl)c(C(=O)OC)c2c(C(=O)OC)cc(Cl)c(C(=O)OC)c12 1234925 IRHNHZYGJIEKQT-UHFFFAOYSA-N 429.208 3.293 0 50 IGAA CC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(C)=O)cc1OCCOCCO2 4256146 HPAWAIFDXKBZGU-UHFFFAOYSA-N 444.480 3.354 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccccc1 8779635 XGAAEOPGLLGTDV-ITICKHJUSA-N 438.936 3.452 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCC(Oc3cccc(F)c3)CC2)CN1CCc1ccccn1 11938064 RWKRBRQZSCBNIH-GOSISDBHSA-N 425.504 3.072 0 50 IGAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12762354 LQLLPIBQXYXEOA-QFIPXVFZSA-N 434.515 3.168 0 50 IGAA CCN(CC)CCN(CC)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 14879651 KZAOIKVIMBPIPD-RUZDIDTESA-N 445.579 3.345 0 50 IGAA CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)c1 18283831 PONFXZVCBOUXAZ-IBGZPJMESA-N 436.537 3.149 0 50 IGAA CCOC(=O)c1nc(C)n(C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 170617386 WFVOJSUYERLXMA-UHFFFAOYSA-N 425.816 3.378 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N=c3nc[nH]n3C(C)(C)C)cc2)c1 328589762 FJVPRAHNOFAVPS-UHFFFAOYSA-N 428.514 3.092 0 50 IGAA CCc1c(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)nnn1Cc1ccc(F)cc1 426486986 SBRSFQNJHSDJJS-UHFFFAOYSA-N 431.418 3.017 0 50 IGAA Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 467266230 OQXQVXNCLWBGPV-OAHLLOKOSA-N 430.496 3.126 0 50 IGAA Cc1cc(=O)c(C(=O)OCC(=O)c2cnn(-c3ccccc3)c2)nn1-c1cccc(Cl)c1 745224148 DUUCXBQYTZLJNF-UHFFFAOYSA-N 448.866 3.420 0 50 IGAA COc1ccc(Cn2cc(C(=O)OCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cn2)cc1OC 778457066 HRUDTSUEBJRUHV-JMVFIXPQSA-N 441.528 3.046 0 50 IGAA O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1cc2nn[nH]c2cc1F 817028075 ZRFBGPBYTJEEPL-UGKGYDQZSA-N 436.418 3.417 0 50 IGAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c1C 1440928396 KKYJRJHSOGIDBQ-NRFANRHFSA-N 442.581 3.004 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccccc1Cl 2056089 ANENLLUJFMXJCE-DPWKNNTCSA-N 442.899 3.201 0 50 IGAA O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2)CC1 2700558 GTPHJKSEAQNNTM-UHFFFAOYSA-N 427.570 3.214 0 50 IGAA COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 2979815 DDEMQDXPIKKMSI-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA COc1ccccc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O 2992196 GQORGFQQLWXJCN-UHFFFAOYSA-N 428.963 3.023 0 50 IGAA CCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccc(OC)cc2s1 8396936 IPHUSRZSUJIEBD-KRWDZBQOSA-N 441.509 3.385 0 50 IGAA CC[C@H](COC)NC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 11791275 KKJPETAGNWOHCZ-HXUWFJFHSA-N 439.556 3.329 0 50 IGAA COc1cccc(CN2C[C@@H](C(=O)N3CCC(OCc4ccccn4)CC3)CCC2=O)c1 12318360 KALQKPHVMKZKJN-FQEVSTJZSA-N 437.540 3.037 0 50 IGAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc(CC(C)C)[nH]c(=O)n2)C1 12438029 LKORBJRFSMAYOP-IBGZPJMESA-N 440.588 3.004 0 50 IGAA CCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)c(=O)cc(C)n1C[C@@H]1CCCN1CC 12452795 ITHPRXXXRCXNPP-IBGZPJMESA-N 449.555 3.183 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1 13590207 OYDHGLDWFBBXAO-ZPBCLNFZSA-N 438.936 3.452 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccccc1Cl)C2 14745493 VWFNMVYLWPORLS-LJQANCHMSA-N 445.007 3.355 0 50 IGAA CC(=O)c1ccccc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19721054 BCYKTEHHHVSNRY-OAQYLSRUSA-N 449.551 3.040 0 50 IGAA Cc1nccn1CCN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 20601578 XZGGHFBQBOOXJM-UHFFFAOYSA-N 436.585 3.347 0 50 IGAA CC(C)N1CCC(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]2CCO)CC1 104633632 PMGWBVBRYPBUCA-OAQYLSRUSA-N 448.011 3.131 0 50 IGAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@H]2C1=O 245256988 VKWBXJLBXLQMHT-VMXMFDLUSA-N 436.533 3.161 0 50 IGAA COC(=O)[C@](C)(CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 429090536 BAMZHTFUUGTJLU-CODAWKSHSA-N 427.520 3.391 0 50 IGAA O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 436914422 LNKXVILAERLYDU-NSHDSACASA-N 432.267 3.476 0 50 IGAA O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccccc3s2)CC1 482795192 AYYCXLJBODWQGI-OAHLLOKOSA-N 445.570 3.264 0 50 IGAA CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H](c1ccccc1)c1ncc[nH]1 493276617 LCMDYIIGKPWYPD-GOSISDBHSA-N 441.285 3.365 0 50 IGAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N(Cc1ccncc1)C[C@@H]1CCCO1 1857687904 KZXJYUMMEUPUEU-IBGZPJMESA-N 427.570 3.116 0 50 IGAA NC(=O)c1ccc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cc1 1857702171 CGJFNXXIRPTRDU-HSZRJFAPSA-N 435.568 3.498 0 50 IGAA CCCOc1ccc2[nH]cc(CCNS(=O)(=O)c3c(C(F)(F)F)cnn3C)c2c1 1875316289 GNJHYWCAQNJMEZ-UHFFFAOYSA-N 430.452 3.230 0 50 IGAA COC(=O)COC[C@H]1CCCN(c2ncnc3[nH]c4cc(Br)ccc4c23)C1 2325839733 CONRZOMJFHPQDZ-LBPRGKRZSA-N 433.306 3.280 0 50 IGAA Cc1sc2nc(SCC(=O)N3CCOCC3)n(Cc3ccccc3)c(=O)c2c1C 947730 BQPMBPINAYPCQP-UHFFFAOYSA-N 429.567 3.074 0 50 IGAA CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1C1(C(=O)OC)CCCC1 1136958 HAUHDNOLRMMLSN-CABCVRRESA-N 425.275 3.364 0 50 IGAA Cc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)c1 1782748 VZRPYQUEJRDNSF-NHCUHLMSSA-N 447.443 3.469 0 50 IGAA COC(=O)N[C@@H](O[C@@H](NC(=O)OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 2141104 ZKEBAFLSGLILMK-ZXZARUISSA-N 426.895 3.108 0 50 IGAA C[C@H](O)c1ccc2c(c1)OCCOCCOc1cc([C@H](C)O)ccc1OCCOCCO2 4577320 ISLLPVQOHVRQEY-ROUUACIJSA-N 448.512 3.055 0 50 IGAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2ccc(=O)n(C)n2)CC1 11822161 WVCQHUOXXHAUOI-UHFFFAOYSA-N 445.567 3.038 0 50 IGAA O=C(CCC1CCN(C(=O)COc2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 11840864 NERASBGDHYKBJC-DEOSSOPVSA-N 449.595 3.475 0 50 IGAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1 12417760 AXPLNCPNSYBSQP-UHFFFAOYSA-N 427.460 3.260 0 50 IGAA COc1ccccc1CN(C)Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 15077068 KRZFYQHSZYVJBB-OAQYLSRUSA-N 446.613 3.124 0 50 IGAA CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Cl 16213376 FSOAGKKZHDUUPU-WUXMJOGZSA-N 448.280 3.145 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 17987521 AVCQPHOVTUYGFG-PMACEKPBSA-N 442.493 3.092 0 50 IGAA c1ccc2[nH]c(CN3CCC[C@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)nc2c1 20993294 NOFBLLUBGAIBSF-FQEVSTJZSA-N 433.556 3.074 0 50 IGAA O=c1cc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2o1 22014665 WOGHVJGMARIAPP-UHFFFAOYSA-N 441.486 3.377 0 50 IGAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4ccccn4)cs3)n2)c(F)c1 61719391 LIYQWCCJOULOSM-UHFFFAOYSA-N 437.456 3.215 0 50 IGAA Cc1c(Br)ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 239287459 CVRNLTZOADPACO-VYVINXJXSA-N 429.314 3.058 0 50 IGAA CC(C)c1nn(C)c2sc(C(=O)OCC3=Nc4cccc(F)c4S(=O)(=O)N3)cc12 1875343023 CTTHYDMPZLCJSR-UHFFFAOYSA-N 436.490 3.076 0 50 IGAA Cc1c(CNC(=O)C(=O)NCc2cccc(F)c2Br)noc1-c1ccccc1 2325818974 JHKODFWLWBVNKO-UHFFFAOYSA-N 446.276 3.484 0 50 IGAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 953229 RKAQPZBDEGUMRW-UHFFFAOYSA-N 435.477 3.043 0 50 IGAA Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)ccc1Br 1051120 ZNZVIAHTSWCLCP-UHFFFAOYSA-N 441.347 3.462 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 8934398 MEYUDJVAWIUSNM-GTENMVSRSA-N 442.899 3.201 0 50 IGAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)CCn2cncn2)CC1 11817655 UBQUIQMAYDLVLY-UHFFFAOYSA-N 432.572 3.313 0 50 IGAA CC[C@@H](C)C(=O)C(=O)NCc1nc(-c2cccc(NC(=O)C3CCOCC3)c2)oc1C 12053884 ZQVPGFSGDSGJEE-CQSZACIVSA-N 427.501 3.247 0 50 IGAA COc1ccc(C2(CNC(=O)c3cn(C[C@@H]4COc5ccccc5O4)nn3)CCCC2)cc1 12570705 ZDHMRGSWFVJRGJ-HXUWFJFHSA-N 448.523 3.369 0 50 IGAA CCn1ncc(-c2ccnc3c(C(=O)N4CC[C@H](C(F)(F)F)n5nccc54)cnn23)c1C 13644608 JOTQVXVNDARBPJ-MRXNPFEDSA-N 444.421 3.272 0 50 IGAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C 14746253 ZHUOHOHWVYIXTO-HXUWFJFHSA-N 430.593 3.194 0 50 IGAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 14883110 AUBFXJFCFKJKDB-UHFFFAOYSA-N 425.536 3.349 0 50 IGAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1 15073789 YSMSTDLKWIUXFU-UHFFFAOYSA-N 426.586 3.085 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CN1Cc1ccc(Cl)cc1 19146994 ZWEHVHSTKGBUPB-OAQYLSRUSA-N 440.975 3.208 0 50 IGAA COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 20600187 ASMPZANJPWVMQN-UHFFFAOYSA-N 435.524 3.496 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 170636212 BHDPYZYOYSCOGF-SFHVURJKSA-N 432.590 3.090 0 50 IGAA O=C(NC[C@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1cccc(OC(F)F)c1 225321352 BZTSCKFYAOXKJV-ROUUACIJSA-N 430.455 3.008 0 50 IGAA COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(N(C)C)c3)C2)c1 225847793 MMJCTRBPBWWZKZ-OAQYLSRUSA-N 425.485 3.312 0 50 IGAA C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N2CCOC(C)(C)C2)c1 729317031 MLYIFKAQTZHAKR-OAHLLOKOSA-N 432.517 3.217 0 50 IGAA CN1CC[C@@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@H](c2cnn(C)c2)C1 849549728 WELWUYSDCRYVKJ-MOPGFXCFSA-N 432.450 3.299 0 50 IGAA CCN(CC(=O)NC(C)C)S(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1 2325879109 IHBYWJAYLSKETC-UHFFFAOYSA-N 446.392 3.108 0 50 IGAA CC(C)(C)[C@@H]1CN(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325895652 GBGFZUNAEAAHDQ-TZIWHRDSSA-N 445.519 3.238 0 50 IGAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 12021257 PJCMZGTVFYXMJT-OAHLLOKOSA-N 432.908 3.021 0 50 IGAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCc2ccccc2OC)C3)nn1 12042568 XLAYEFNITNYZNU-SFHVURJKSA-N 437.471 3.352 0 50 IGAA CCOc1ccc2nc(N3CCC(C(=O)NCCCn4ccnc4C)CC3)nc(C)c2c1 12150934 GOWXTBPBTZIRHC-UHFFFAOYSA-N 436.560 3.265 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)c2cc([C@H](C)Cc3ccc4c(c3)OCO4)no2)o1 12282864 WCRLJECIPITTSM-CYBMUJFWSA-N 426.425 3.449 0 50 IGAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N[C@H](c1ccccn1)C(F)(F)F 12315007 VVNKYEKYYXQUDN-LJQANCHMSA-N 434.374 3.137 0 50 IGAA CCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14742767 OVZFUFRTFMEGPU-UHFFFAOYSA-N 431.540 3.392 0 50 IGAA COC(=O)c1ccccc1C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(OC)c3)CC[C@H]21 14962083 RVRZCKVYCOCIGU-XMSQKQJNSA-N 436.508 3.249 0 50 IGAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)C[C@H]2C(=O)NCCc1ccccn1 14980342 VEQKANZWEMTNNE-UGKGYDQZSA-N 435.568 3.450 0 50 IGAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)nc(C)n1 15063767 KUZZYIZIUSDQGX-QHCPKHFHSA-N 449.599 3.070 0 50 IGAA CCN1CCN(C[C@@H](O)COc2cccc(CNCc3cccc(SC)c3)c2)CC1 19222184 XGFYAHZWPSXZLV-JOCHJYFZSA-N 429.630 3.076 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)CC1 20907132 IGLNXFVTSGGACX-HXUWFJFHSA-N 431.968 3.469 0 50 IGAA COCCn1c(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)cc2ccccc21 206228586 PAZYXFFRVBWEBE-HXUWFJFHSA-N 432.480 3.097 0 50 IGAA CSCC[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 240444254 FWYLOJYQLSVAHS-QWFCFKBJSA-N 427.570 3.124 0 50 IGAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1 248125050 UFBGEQXFROUTKF-LUCIHVKJSA-N 435.911 3.388 0 50 IGAA CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)s1 252484328 FULCPAWFNHQWEL-UHFFFAOYSA-N 438.556 3.011 0 50 IGAA CN1CC[C@@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@H]1c1ccc(Cl)cc1 252517176 BJRLCIXXQJXXFE-DENIHFKCSA-N 425.916 3.164 0 50 IGAA COc1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cc1OC 263616713 KEHKXJQLYSAZAH-SFHVURJKSA-N 449.555 3.158 0 50 IGAA NC(=O)c1cnn2c(C(=O)N3CCC(Cc4cc(Cl)ccc4Cl)CC3)ccnc12 490900972 GSEZWJAWYYOTSW-UHFFFAOYSA-N 432.311 3.230 0 50 IGAA O=C(N[C@@H]1CCN(c2cnnc(O)c2Cl)C1)c1cc(CCc2ccccc2)ccc1O 1472301570 XIXXWZVJZJBKHM-QGZVFWFLSA-N 438.915 3.335 0 50 IGAA COCCN1CCC(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704337709 CDUAYWZODGXFTC-AREMUKBSSA-N 434.584 3.308 0 50 IGAA O=C(CCc1ccc(Cl)nc1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)COc1ccc(Cl)cc1)C2 1875320123 HPNRZXHFJQYCDI-XXHMAFKTSA-N 434.323 3.116 0 50 IGAA Cc1cc(S(=O)(=O)Nc2ccc(CN3CCC(C)CC3)cc2)ccc1-n1cnnn1 2325722932 FKXJGJMDWOTWRW-UHFFFAOYSA-N 426.546 3.003 0 50 IGAA Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ncccc2s1 2325824092 OZPJNNNNHOKSFM-RDJZCZTQSA-N 425.558 3.284 0 50 IGAA C[C@@H](NC(=O)CN1CCN(C)c2cc(F)ccc21)[C@@H](O)c1ccc(Br)cc1 2325860771 TYFLVPHMJDELDC-ZUOKHONESA-N 436.325 3.083 0 50 IGAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1I 724673 PTDFRIRNNZLFBX-UHFFFAOYSA-N 440.262 3.205 0 50 IGAA COc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 1143802 FRQZKUBSPOLKPP-CQSZACIVSA-N 425.514 3.046 0 50 IGAA Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCCC1 2700566 UWVKYWSINQBAGP-UHFFFAOYSA-N 445.560 3.271 0 50 IGAA CCn1ccc(CNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(OC)cc4)nc23)n1 2796051 UAPQBTRDOXMGQE-UHFFFAOYSA-N 426.427 3.489 0 50 IGAA O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 2861613 NBZGJUVQNJEJMA-UHFFFAOYSA-N 440.487 3.465 0 50 IGAA O=C(O)c1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 3671661 CDCUINBPEVUGQX-UHFFFAOYSA-N 440.506 3.170 0 50 IGAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 9010423 YKJBVDQKONRLBB-ZDUSSCGKSA-N 428.341 3.106 0 50 IGAA COCCN1C(=O)N[C@](Cc2ccccc2Cl)(C2CCN(C(=O)C(C)(C)C)CC2)C1=O 12132083 WPDNNUBVLQJJKJ-HSZRJFAPSA-N 449.979 3.104 0 50 IGAA CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC 12135177 GTKCSYLJQMKRSI-INIZCTEOSA-N 440.573 3.060 0 50 IGAA CN(C(=O)CCn1cnc2ccccc2c1=O)[C@@H]1CCCN(CCCc2ccccc2)C1 12315465 DYOVQAMZOUZZFC-JOCHJYFZSA-N 432.568 3.342 0 50 IGAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cnn(C)c3)cc2)n1 12583253 IZXOGAQBBVAHHY-QFIPXVFZSA-N 434.544 3.175 0 50 IGAA COc1ccc(NC(=O)CCC2CCN(C(=O)c3cccnc3OC)CC2)c(OC)c1 12593643 HCEPCMBKHURAPT-UHFFFAOYSA-N 427.501 3.379 0 50 IGAA COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCC(C)C 14543276 NEDVUQYGWQUNPQ-IBGZPJMESA-N 431.577 3.375 0 50 IGAA COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cccc(NC(C)=O)c3)c2C)cc1 39455447 JSERHCOPBJAROP-CQSZACIVSA-N 428.514 3.187 0 50 IGAA CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 100458209 SSANOAKBGWOZCF-CCWPHWCFSA-N 433.552 3.438 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c(OC)c1 101128584 UTHAINCDNFRKQU-HJOGWXRNSA-N 449.551 3.452 0 50 IGAA COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)no2)c1 170602542 HUHJNNGCPRTYLX-CQSZACIVSA-N 431.489 3.488 0 50 IGAA COC(=O)c1cn([C@@H](Cc2nc3ccccc3[nH]2)c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 263587611 IYKVRBXIWQMHTH-IBGZPJMESA-N 431.427 3.310 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)[C@H](C)c2cccc(Cl)c2)CC1=O 2325820084 ZVONBVYEXZETDA-IIDMSEBBSA-N 434.945 3.457 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)cc1OC 885023 VMNKRXQLBVRVAP-UHFFFAOYSA-N 446.569 3.344 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(OC)c1 1134144 ONCFOHLOAFVZOZ-UHFFFAOYSA-N 439.541 3.276 0 50 IGAA CCOc1ccc(CNC(=O)CN2C(=O)CSc3c2c(C)nn3-c2ccccc2)cc1 8605829 XHEMTBSEPYDYBG-UHFFFAOYSA-N 436.537 3.335 0 50 IGAA Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1 8609361 AGPLMMPAOXBTRS-UHFFFAOYSA-N 439.581 3.246 0 50 IGAA COc1cc(CN(C)Cc2cc(C)[nH]n2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12446077 NRZNGAHMCRLUSH-QFIPXVFZSA-N 430.593 3.363 0 50 IGAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 14541866 XJLUKVICRRPZSZ-HSQYWUDLSA-N 444.560 3.183 0 50 IGAA Cc1nc[nH]c1CN1CC(=O)N(C(C)C)C[C@@H](OCc2ccc(OC(F)(F)F)cc2)C1 14747153 DQKJDCGBOANEHC-SFHVURJKSA-N 440.466 3.255 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(CC)C1=O 14882502 CJSPTMPIVVRHKC-DYESRHJHSA-N 440.462 3.140 0 50 IGAA CC(C)C[C@]1(C2CCN(Cc3cnn(C)c3)CC2)NC(=O)N(CCc2cccs2)C1=O 14988749 CWXMMGMXHXASRG-HSZRJFAPSA-N 443.617 3.273 0 50 IGAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 169778184 JQPHGVKYKIHXEZ-CQSZACIVSA-N 431.294 3.301 0 50 IGAA CC(C)n1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c2ccccc2c1=O 225461579 AAGNYGIHPKZWRN-CRAIPNDOSA-N 428.533 3.353 0 50 IGAA COc1ccc([C@H]2CCCN2C(=O)CC[C@@H]2N=C(O)N(c3ccccc3)C2=O)c(OC)c1 252507955 WYAXIEZIHGKXSC-VQTJNVASSA-N 437.496 3.477 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 409414818 OYAHLUCCWAKOQL-LYGMZBLVSA-N 441.616 3.336 0 50 IGAA biogenic O=C(CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1)NC[C@@H]1CCCO1 1772500824 MNRLQSHAJZQCJN-QHCPKHFHSA-N 447.579 3.363 0 50 IGAA CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@]2(C(=O)OC)CCOC2)cc1 1875343028 CYOVBZMQKJHBRM-VWLOTQADSA-N 438.524 3.143 0 50 IGAA O=C(NCCCN1CCc2ccccc21)c1ccc2[nH]nc(I)c2c1 2325854226 SUAZHYAGZJUUEQ-UHFFFAOYSA-N 446.292 3.350 0 50 IGAA COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 6161584 CPSUFFSAIHVDAB-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)C1 11843385 HSUNOAJMJBRHFC-KRWDZBQOSA-N 427.497 3.385 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(Cc3cccn3-c3ncccn3)CC2)O1)c1cccc(F)c1 11995647 HWZCLCZVFKYOHO-JOCHJYFZSA-N 449.530 3.350 0 50 IGAA O=C(c1cnn2cccnc12)N(Cc1ccncc1)Cc1cccc(O[C@@H]2CCOC2)c1 12217421 GQKMKGUJVZIMOT-OAQYLSRUSA-N 429.480 3.135 0 50 IGAA O=c1nc2sccn2c2cc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)cc12 12377445 PBVFUISCGYTBIK-UHFFFAOYSA-N 431.926 3.310 0 50 IGAA COc1cc(/C=c2/sc3n(c2=O)[C@H]2C[C@@](C)(N=3)Oc3ccccc32)ccc1OC(F)F 12402549 HJSIBEHRBNYIRB-ZEUWYWCNSA-N 444.459 3.070 0 50 IGAA CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)NCc2ccc(F)cc2)c1=O 12509588 OMFQLQICAPWZKX-UHFFFAOYSA-N 425.460 3.089 0 50 IGAA CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O 13711428 MFKKEGBQIYDQRN-HXUWFJFHSA-N 429.542 3.106 0 50 IGAA CCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 14881748 KIJDPPWAZCKQKT-HSZRJFAPSA-N 432.572 3.421 0 50 IGAA CCOc1cccc(N2C(=O)C[C@@H](N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)C2=O)c1 22753179 NVLMFSVSHANOIV-MCADVSAISA-N 437.584 3.304 0 50 IGAA Brc1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2 23093047 LTAWRQVFOFCFQB-UHFFFAOYSA-N 433.302 3.224 0 50 IGAA COC[C@H](C)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(OC)c2)C1 39337745 ATQGKTNMLRZUAB-GBXCKJPGSA-N 426.557 3.002 0 50 IGAA Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 40286783 UPKFATFXDPAHDD-CYBMUJFWSA-N 427.390 3.420 0 50 IGAA Nc1ccn(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n1 140970220 SCFIEAYTLMXFPD-QHCPKHFHSA-N 427.504 3.195 0 50 IGAA in-vitro COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cccc(NC(C)=O)c4)C3)[nH]n2)cc1 169753672 VCJCFWCNQVCDLO-FQEVSTJZSA-N 433.512 3.443 0 50 IGAA COc1ccc(NC(=O)Cn2ncc3c2[C@@H](NC(=O)OC(C)(C)C)CCC3)c(OC)c1 170613134 JVXCZHGDBQKVMH-KRWDZBQOSA-N 430.505 3.441 0 50 IGAA CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(OC)cc1OC 225517898 CJHABMNVOMOCCJ-IBGZPJMESA-N 431.514 3.163 0 50 IGAA C[C@H]1Oc2ccccc2N(CCC(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)C1=O 225659253 JXOWIOSRGUPLSW-IEBWSBKVSA-N 433.508 3.142 0 50 IGAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 886025184 BOQAOJXOUGLVIK-ZWKOTPCHSA-N 436.899 3.456 0 50 IGAA O=C(c1nc2c(s1)CCCC2)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857719038 CWLOVPKBKAXILB-UNMCSNQZSA-N 441.597 3.061 0 50 IGAA COc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc(OC)c1OC 804981 VOKBIYBPINICJQ-UHFFFAOYSA-N 441.528 3.269 0 50 IGAA COc1cc(CN2C(=O)CC[C@@H]3CN(Cc4ccccn4)CC[C@@H]32)cc(OC)c1OC 11790959 URQVAFHXXKHIEZ-QUCCMNQESA-N 425.529 3.121 0 50 IGAA O=C(NCC1(O)CCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)[nH]c1=O 12149695 KENJJJLFRQMJLA-UHFFFAOYSA-N 437.584 3.255 0 50 IGAA CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1 12212624 BMYLRNWQVMZLFD-UHFFFAOYSA-N 449.555 3.415 0 50 IGAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1 12719061 SBNXLNHYEGBJHH-NRFANRHFSA-N 445.502 3.490 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4cccc(C)c4)CC3)c2c1 20177531 USVSARRFDVYMBY-UHFFFAOYSA-N 435.524 3.256 0 50 IGAA Cc1ccc(C(=O)NCCCOc2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1 20996452 RCLOSTHHRJATHG-UHFFFAOYSA-N 445.567 3.306 0 50 IGAA CC(C)NC(=O)CCN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72128945 RDPJDHXGVVVUJJ-FQEVSTJZSA-N 426.527 3.207 0 50 IGAA COc1ccccc1CN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccccc2)CC3)CC1 299768775 KNYCYVHCFYJRHM-QHCPKHFHSA-N 447.579 3.282 0 50 IGAA Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 730019368 ROJDVFULBGDMGR-LJQANCHMSA-N 433.959 3.397 0 50 IGAA CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CC(n2cc([C@H](C)O)nn2)C1 779613973 NCTPLNVANSUUOB-AWEZNQCLSA-N 445.365 3.460 0 50 IGAA O=C(NC1CC2(CCN(C(=O)c3nc(Cl)ccc3F)C2)C1)c1nccc2occc12 1875383546 YMKBINKXRRNLAY-UHFFFAOYSA-N 428.851 3.440 0 50 IGAA COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1ccc(OC)cc1OC 909202 WCHKBDFEDMSYED-UHFFFAOYSA-N 429.494 3.479 0 50 IGAA Cc1ccc(N([C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)cc1 1057104 ZRLHABSYBNZXAQ-QGZVFWFLSA-N 435.977 3.152 0 50 IGAA C[C@H](NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1 1141466 DUXYEUVGOIUEFF-IBGZPJMESA-N 438.549 3.464 0 50 IGAA Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)c1cccs1)C2 14543207 ZTMQVXBQCTZCPQ-UHFFFAOYSA-N 441.582 3.043 0 50 IGAA O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 17000341 ZZKOOGWJNMTLMM-HSZRJFAPSA-N 446.503 3.384 0 50 IGAA COc1ccc(CCN(C(C)=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 100560716 MPBMQYPRQSVSHY-LJQANCHMSA-N 445.313 3.181 0 50 IGAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCc1nc(-c2ccccc2)cs1 253394953 VQNVILQWUIEURL-GOSISDBHSA-N 434.521 3.184 0 50 IGAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5C)CC4)c3CO2)cc1 263616216 HQMLBZHMPYWQRJ-HSZRJFAPSA-N 447.539 3.137 0 50 IGAA Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1S(=O)(=O)NC1CCCC1 437400088 HLUYEAKGBXBUFE-UHFFFAOYSA-N 426.542 3.065 0 50 IGAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 12050857 JYACTUSVWPWVTE-HNNXBMFYSA-N 429.464 3.339 0 50 IGAA C[C@H](Cc1cccnc1)N1CCC2(CC1)C[C@@H]2C(=O)NCCc1nc2ccccc2n1C 12151133 BJHGOCISGGDAHP-TZIWHRDSSA-N 431.584 3.360 0 50 IGAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CCc1scnc1C)CC2 14535759 MVYXXDFTBNQQHZ-UHFFFAOYSA-N 438.553 3.391 0 50 IGAA CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(C[C@@H]2COc4ccccc4O2)C3=O)CC1 15070488 ZWCUSUWFXSOTBJ-GOSISDBHSA-N 449.551 3.291 0 50 IGAA Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(C(=O)c4ccco4)CC2)[C@@H]3CCC1 36265361 LLPOVGVCHOKCBT-JOCHJYFZSA-N 446.551 3.220 0 50 IGAA Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)n1 38670740 FJJKFKVTXNCVJM-UHFFFAOYSA-N 443.495 3.185 0 50 IGAA Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 65365382 AIIJFDGHCVNRQQ-MRXNPFEDSA-N 432.484 3.164 0 50 IGAA Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCCN21 245326873 MUMJPYAKIGAADK-YDSTWLSQSA-N 439.874 3.219 0 50 IGAA CC(=O)N1CCc2sc(C(=O)COC(=O)Cc3csc(-c4ccccn4)n3)cc2C1 754912203 ZHAUUZLOAZODQW-UHFFFAOYSA-N 441.534 3.140 0 50 IGAA C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1nnnn1-c1ccccc1 777231376 JHMDDHCIKANFNS-OPAMFIHVSA-N 439.447 3.017 0 50 IGAA CCOCCn1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cn1 1441721941 GACDPXGOZWYFTK-MRXNPFEDSA-N 431.512 3.124 0 50 IGAA CC(C)[C@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2)N1C(=O)c2ccccc2C1=O 715868 WAABZMWPEBPFFT-KPZWWZAWSA-N 439.537 3.231 0 50 IGAA O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1 2866608 RAWBARHBQFLFQG-UHFFFAOYSA-N 435.505 3.384 0 50 IGAA O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 11874072 DDAGQUFLMWDHNU-SFHVURJKSA-N 428.558 3.405 0 50 IGAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCCc1ccc(Cl)cc1)C3 12167052 LWZWGGWDZFVLDV-KRWDZBQOSA-N 431.005 3.363 0 50 IGAA COc1cc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc(OC)c1OC 19831715 PXBGMSBJTREEGX-UHFFFAOYSA-N 449.345 3.433 0 50 IGAA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Br)cc1 20470462 SJYLBCXOYWRXHL-UHFFFAOYSA-N 429.318 3.383 0 50 IGAA COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c1OC 65364264 OZKDDCWAMSMHJN-INIZCTEOSA-N 434.500 3.062 0 50 IGAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccc(Cl)cc4)ccn3n2)cc1 169775835 XDUYROGSXHFXDZ-UHFFFAOYSA-N 436.899 3.184 0 50 IGAA COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](N3CCOCC3)C2)cc1Cl 229925893 HHHVMXNKRMBXKW-KNQAVFIVSA-N 429.948 3.435 0 50 IGAA CC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)cc1 238997424 AGAVJZCPHBSLDV-JUYIEYESSA-N 432.520 3.440 0 50 IGAA CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 261490108 ZNSYKAPBCWLIAY-KBXCAEBGSA-N 437.393 3.492 0 50 IGAA C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cc(F)ccc1N1CCC(O)CC1 748064717 GOLSLOGQSHHGGA-BFUOFWGJSA-N 429.467 3.229 0 50 IGAA O=C([C@H]1CCOC1)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952865636 TXQHWPZDGWZRME-NRFANRHFSA-N 434.536 3.339 0 50 IGAA CCN1C(=O)C[C@H](Sc2ccccc2C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)C1=O 1506428372 YZECKARKIQLJEH-SFHVURJKSA-N 440.500 3.214 0 50 IGAA CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc2nc(=N)[nH]c(N)c2n1 1875335049 QRHUUTYOGXSBNW-UHFFFAOYSA-N 449.390 3.065 0 50 IGAA Cc1c(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)nnn1Cc1ccc2ncccc2c1 2325721723 MHRMIKRCXSZGLO-HSZRJFAPSA-N 440.551 3.182 0 50 IGAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)cn12 2356139238 OMCUBJMDVTWPJI-GOSISDBHSA-N 426.542 3.184 0 50 IGAA CCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 786440 QOTGHEAUOCJCLX-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA CC1=C(C(=O)OCc2ccco2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 844426 CKIMMJBJLKRVGO-MRXNPFEDSA-N 435.230 3.142 0 50 IGAA COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccc(C)cc3)nn2c1=O 1134065 BMHYLALRDDWFJP-YBEGLDIGSA-N 428.311 3.445 0 50 IGAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ncn(Cc2ccc(F)cc2)n1 2809420 UCIPWGMLTFSPPA-UHFFFAOYSA-N 438.484 3.421 0 50 IGAA COCC1CCN(C(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)CC1 11719335 TVCPGNCEZORTER-UHFFFAOYSA-N 437.540 3.264 0 50 IGAA CCCCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 12100119 IPUULMMUOFBTJH-UHFFFAOYSA-N 434.540 3.353 0 50 IGAA CCOC(=O)C1=C(C)N(CCCC(=O)OC)C(=O)N[C@H]1c1ccc(Br)cc1 29128005 YFZRMRYVWWUQME-KRWDZBQOSA-N 439.306 3.306 0 50 IGAA COc1cc(OC)c(C)c(N2Cc3cnc([S@](C)=O)nc3N(C3CCCC3)C2=O)c1 44126758 GGPBJBAHBCHJBP-SSEXGKCCSA-N 430.530 3.429 0 50 IGAA CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 117258514 RHQUZBOIQVHUSC-HNNXBMFYSA-N 449.504 3.434 0 50 IGAA CCOc1ccccc1NC(=O)CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O 169780806 ONEKDIWDPPQWMB-HXUWFJFHSA-N 441.871 3.255 0 50 IGAA CC(C)N(CCOCCNC(=O)[C@H](C)Oc1ccccc1)C(=O)[C@H](C)Oc1ccccc1 170607632 BXGDCTBPTQFFJZ-SFTDATJTSA-N 442.556 3.291 0 50 IGAA Cc1nc2sc([C@H](c3cccs3)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)n2n1 225422963 VAASRWIMSKUICU-GLJUWKHASA-N 439.566 3.237 0 50 IGAA biogenic CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cn(-c2ccccc2)nc1C 241965691 UVAAKZMXNHDAKM-QFIPXVFZSA-N 437.525 3.250 0 50 IGAA Cn1c([C@@H](Cc2ccccc2)NC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 252509122 YCTZQSOLTJPKTJ-HXUWFJFHSA-N 429.528 3.319 0 50 IGAA CNc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)ccn1 253417953 VBDGGHCDJBHDBB-UHFFFAOYSA-N 426.498 3.493 0 50 IGAA COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CC=C(C)C)CC3)o1 299779558 GEYJACLWPSSEMC-IBGZPJMESA-N 429.565 3.359 0 50 IGAA O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CCOc2c(Cl)cc(Br)cc21 464661537 FINFGDITEMLFBM-LLVKDONJSA-N 434.739 3.043 0 50 IGAA CC(C)=CC[C@]1(C(=O)NCc2ccc3c(c2)OCO3)C[C@H]2CC[C@@H]1N2c1ccnc(N)n1 1704303876 KSELRXDKLGLDCE-YQOVMPOYSA-N 435.528 3.188 0 50 IGAA CSc1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)CS(=O)(=NC(=O)[C@@H]1[C@@H](C)C1(F)F)C2 1875392805 VIAGAIMZGGPXTN-GENOQLPBSA-N 442.553 3.396 0 50 IGAA O=C(C1CCN(c2cccc3c2C(=O)N(Cc2ccccn2)C3=O)CC1)N1CCCCC1 11790447 UKTJKLJRSFTSPH-UHFFFAOYSA-N 432.524 3.107 0 50 IGAA Cc1cc(C(=O)NC[C@H]2CCC3(CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)O2)n(C)n1 11997255 MSGWIQIYXCSWLC-HBMCJLEFSA-N 426.605 3.464 0 50 IGAA CCn1nc(C)cc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 12750637 RGSLXHXWWYFNGO-UHFFFAOYSA-N 426.517 3.254 0 50 IGAA O=C(NCCCO)c1cn([C@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)nn1 14962837 HHTQQFOCIVRWCO-INIZCTEOSA-N 443.935 3.141 0 50 IGAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N1CCC(N3CCCCC3)CC1)CC2 19229106 LBMAVOPGWOTYJL-FQEVSTJZSA-N 439.604 3.093 0 50 IGAA CCCN1CCN(C(=O)c2cc3n(n2)C[C@@H](c2ccc(Br)cc2)OC3)CC1 169759605 LPWWVYHTIRSUHR-IBGZPJMESA-N 433.350 3.085 0 50 IGAA Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc(Br)c1Cl 239254577 YKSLJVDRWYFTOP-GQYKBVJTSA-N 449.732 3.403 0 50 IGAA CSCc1nc2ccccc2n1CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 252669520 HTCXTMUKEZEYGK-LVCYWYKZSA-N 434.565 3.173 0 50 IGAA O=C(Nc1cccc(CN2CCCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 952984471 WFUFHKFYUFBZPF-NRFANRHFSA-N 431.533 3.213 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1 1875262653 IEFULIABVCAAQW-HSZRJFAPSA-N 444.535 3.198 0 50 IGAA O=C(N[C@H]1C=CCN(C(=O)Cc2coc(C(F)F)n2)C1)c1cc(C(F)(F)F)cs1 1875330047 KRQCVNRZUGVIIG-JTQLQIEISA-N 435.374 3.432 0 50 IGAA CCCC1(C(=O)N[C@H]2CCOC3(CCS(=O)(=NC(=O)[C@H](CC)OC)CC3)C2)CCC1 2332238245 IWZYMICVAQNXFJ-WEVKGWRPSA-N 442.622 3.204 0 50 IGAA CC1(C)CC[C@@H](C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)C45CC(C4)C5)CC3)C2)C1 2332238286 KDPKGDJEBJINGL-KPSIRVKOSA-N 436.618 3.435 0 50 IGAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2Cl)CC1 1067271 WNRLRTDUFROFJF-UHFFFAOYSA-N 428.341 3.327 0 50 IGAA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 1088047 DIHDNBWYOPCAIC-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Br)c2)cc1Cl 2885193 IDSOKLOKPUIOGH-UHFFFAOYSA-N 447.738 3.370 0 50 IGAA CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cnccn3)C2)cc1 12078954 MSQCWBIFLJITBC-UHFFFAOYSA-N 433.537 3.030 0 50 IGAA Cc1cc(=O)c(C(=O)NC[C@H]2CCCO2)c(CCc2ccccc2)n1Cc1ccncc1 12152339 QYUKWPDUSDVJNP-JOCHJYFZSA-N 431.536 3.294 0 50 IGAA CN1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)CC1 20351939 KZVPUJNUONECOZ-MHZGPWMTSA-N 429.992 3.429 0 50 IGAA COC(=O)[C@H]1CCCCN1C(=O)CN1Cc2ccccc2O[C@H](c2ccccc2OC)C1 39355059 HUTSFSBINUYSEU-OFNKIYASSA-N 438.524 3.185 0 50 IGAA O=C1C[C@H](c2nc(Cc3nc(-c4ccccc4)n[nH]3)no2)CN1c1ccc2c(c1)CCC2 761931079 JZSPAFOJZXGJBP-SFHVURJKSA-N 426.480 3.455 0 50 IGAA CC(=O)N1C[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)C[C@]2(CCc2ccccc2)C1 1772808175 HSKQODJHUCHCLZ-UGKGYDQZSA-N 432.973 3.442 0 50 IGAA O=C(CN1CCC(OCCc2ccccc2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 1875341468 UPKXBGZIKLLLAS-UHFFFAOYSA-N 440.935 3.182 0 50 IGAA COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 824513 RXJUXRQUGPGNMO-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br)N1CCOCC1 1062017 OEQJLEYNVPDPOS-UHFFFAOYSA-N 445.195 3.243 0 50 IGAA Cn1c(CNC(=O)c2cccc(Cl)c2)nnc1SCC(=O)Nc1cccc(F)c1 2879731 RNNNJAYAIAPDST-UHFFFAOYSA-N 433.896 3.268 0 50 IGAA COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(Br)cc2)C3)cc1 8583721 KQASEMBDCMMFOT-GOSISDBHSA-N 428.286 3.455 0 50 IGAA COc1cccc(CCNC(=O)[C@@H]2CC23CCN(Cc2cccc(OCCO)c2)CC3)c1 12217579 BGXMRUSOSFWJNR-DEOSSOPVSA-N 438.568 3.027 0 50 IGAA Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1 20450835 LESRLQHBCTUQIP-CQSZACIVSA-N 431.512 3.476 0 50 IGAA O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(Cc2ccccc2)CC1 25329815 VWCOWPYLFULASR-UHFFFAOYSA-N 447.988 3.083 0 50 IGAA CC(C)CCn1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N2CCN(C3CCCC3)CC2)c1 55109312 DSIODCVCOPGVFS-UHFFFAOYSA-N 444.620 3.123 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 101064998 GIBBJOHGBGROMH-NXPNQGMMSA-N 425.710 3.462 0 50 IGAA C[C@H]1CN(S(=O)(=O)CCNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 229613031 KTCBIMAJHKRJCB-UEXGIBASSA-N 448.610 3.075 0 50 IGAA O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nn1 399961556 ZJYQECNWUKAAMP-UHFFFAOYSA-N 430.464 3.246 0 50 IGAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(C3CCC3)cc2)cc1C 427560434 TWNLQWRJEZDYPM-GMAHTHKFSA-N 442.581 3.011 0 50 IGAA CCc1cnccc1CNC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1 498696162 QIOFWXIARSQBNV-UHFFFAOYSA-N 425.489 3.042 0 50 IGAA CCOc1cccc2[nH]cc(CC(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)CCC4)c12 811212717 VIXSHXKVBAYXBR-UHFFFAOYSA-N 426.494 3.133 0 50 IGAA CS(=O)(=O)CC1(CN2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CC1 952895293 ZHBHXVNZULDYCQ-GOSISDBHSA-N 447.454 3.206 0 50 IGAA COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 815789 RSJGFOMRYAGZRN-OAHLLOKOSA-N 425.403 3.397 0 50 IGAA CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)c1 4198978 PONFXZVCBOUXAZ-LJQANCHMSA-N 436.537 3.149 0 50 IGAA CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 4412874 NIIBHVMPAIILLV-UHFFFAOYSA-N 427.501 3.023 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1F 9059301 ZXRAYHCCZCOSOC-UHFFFAOYSA-N 430.954 3.295 0 50 IGAA O=C(CN1CCCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12386234 MBDMKZBWKYZFQE-AREMUKBSSA-N 439.644 3.359 0 50 IGAA O=C(NCCCO)c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 12456856 OGTQEESYOKIXHN-UHFFFAOYSA-N 435.528 3.020 0 50 IGAA COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCC(N4CCCCC4)CC3)o2)c1 12459311 FLSNNLCXPMFZNW-UHFFFAOYSA-N 442.560 3.087 0 50 IGAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 14744633 AILQPKKEMMFWEP-UHFFFAOYSA-N 436.556 3.342 0 50 IGAA COC(=O)CCC(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 14974926 MLCSPLWYFIEDNY-UHFFFAOYSA-N 428.451 3.294 0 50 IGAA O=C(NCCc1cccc(Cl)c1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 14993171 OPFAXWZDZYKFBD-UHFFFAOYSA-N 449.938 3.415 0 50 IGAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c(OC)c1 19299916 HULOFEUDZZLKNS-INIZCTEOSA-N 431.558 3.092 0 50 IGAA Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 39383718 CAESLCPRTYPGHT-UHFFFAOYSA-N 445.571 3.098 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)c2)cc1 101887654 JXWPNABMPCXMNW-GNSUPJDDSA-N 433.460 3.437 0 50 IGAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)N[C@H](C)CCc3ccccc3)C3=C2C(=O)OC3)cc1 169757955 WERCKQBQWHLQCD-HXOBKFHXSA-N 433.508 3.010 0 50 IGAA Cc1ccc(-c2nn3ccn(CC(=O)N[C@H](C)CCc4ccccc4)c(=O)c3c2CO)cc1 263615535 CWGALVNPVNMYNW-LJQANCHMSA-N 444.535 3.101 0 50 IGAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCCc2nc(-c3ccncc3)no2)CC1 1775942349 CMJDDQPLAPEJCO-UAPYVXQJSA-N 445.523 3.253 0 50 IGAA C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 2325850346 VLPITJOGIKJFDV-AOMKIAJQSA-N 432.524 3.335 0 50 IGAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)c(OC)c(OC)c1 628501 UGZQFUHZVXZZMI-UHFFFAOYSA-N 440.290 3.047 0 50 IGAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1Cl)n2Cc1ccccc1Cl 1277670 NBLRFADVSYXAQE-UHFFFAOYSA-N 430.295 3.391 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NCCc3nc4ccccc4[nH]3)CCC(=O)N2)c(F)c1 11789341 SJBBCUQYQJVEPZ-DEOSSOPVSA-N 438.503 3.041 0 50 IGAA COc1ccc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)cc1O 11868224 XQGYKRFTMAJDDC-RUZDIDTESA-N 437.540 3.214 0 50 IGAA COC(=O)c1cc(CNC(=O)/C=C/c2c[nH]cn2)cc(NC(=O)c2ccccc2Cl)c1 12241972 FUPMOHSZTITPRK-VOTSOKGWSA-N 438.871 3.432 0 50 IGAA CN(C)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 13370748 CUBJUDWTXZYSGW-MVOHMCPASA-N 447.572 3.476 0 50 IGAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 19171207 QWMQBMFYQUXOQU-OTWHNJEPSA-N 426.314 3.293 0 50 IGAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCc2ccccc2)cc1 101479926 HGGGEFFCALPSTQ-IPJJNNNSSA-N 428.554 3.336 0 50 IGAA O=C(NCCc1csc(=O)[nH]1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 225699984 VJCUVKNVGZUEPP-RBBKRZOGSA-N 435.549 3.275 0 50 IGAA CCn1c(CN2CC[C@@H]3CCCC[C@H]3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 239310315 IIQAPTLAXKIVSR-OALUTQOASA-N 446.617 3.089 0 50 IGAA Cc1ccc(C)c([C@@H]2CN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@H](C)CO2)c1 461275191 CTDHRLBCNQNMOJ-JPYJTQIMSA-N 445.519 3.229 0 50 IGAA O=S(=O)(CCCF)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952892427 HFWCQNZRZLSNLV-HNNXBMFYSA-N 425.379 3.071 0 50 IGAA O=C(CCCc1cnn[nH]1)N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952894043 PFMQOMXMZRESGG-GOSISDBHSA-N 438.385 3.049 0 50 IGAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 952963883 LEJLIHLWKYVOQL-ZDUSSCGKSA-N 435.958 3.419 0 50 IGAA O=C(Nc1nc(-c2ccc(F)cc2)ns1)N1CCN(C(=O)c2ccccc2F)CC1 1875259868 MMEIMDMPFPXWIV-UHFFFAOYSA-N 429.452 3.473 0 50 IGAA CC[C@@H](NC[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C 2325722316 KKJMYWRMFBTNQA-JTHBVZDNSA-N 437.584 3.286 0 50 IGAA O=C(NS(=O)(=O)c1cnn(CC2CCC2)c1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819352 BWSJSVBREAKJEN-DLBZAZTESA-N 438.347 3.054 0 50 IGAA Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c1C 630783 CZUUFMRWUFVESW-OAQYLSRUSA-N 430.570 3.308 0 50 IGAA O=S(=O)(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1134914 WUSQPQJSCRQISD-UHFFFAOYSA-N 434.514 3.148 0 50 IGAA COc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1OC 2979406 RXXIKDIGVOXYRB-UHFFFAOYSA-N 442.278 3.435 0 50 IGAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C 11699225 BOKNBWYHIVHFHC-QHCPKHFHSA-N 448.567 3.224 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)NCc1nc(N2CCCC2)c2cccc(C)c2n1 12049636 DBERQJWZYGVDBF-UHFFFAOYSA-N 426.542 3.334 0 50 IGAA CN(C)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12306361 KBNCPJRYVGRRBZ-NRFANRHFSA-N 449.599 3.129 0 50 IGAA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(N)=O)cc2)cc1 13739282 HZNBRDMIQGJKAO-RCCKNPSSSA-N 436.489 3.019 0 50 IGAA O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(Cc1ccoc1)CC2 14532507 YKAOZBWZWISILG-UHFFFAOYSA-N 433.537 3.469 0 50 IGAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 14747252 LRMQSZNLOZOATH-UHFFFAOYSA-N 447.539 3.008 0 50 IGAA O=S(=O)(c1ccccc1)[C@H]1[C@@H]2C[C@H]([C@H]1S(=O)(=O)c1ccccc1)[C@@]13[C@H]4C[C@H]5[C@@H]([C@@H]41)[C@@]523 104300143 HGKSRZHCCKJCCV-IFSJSSBFSA-N 438.570 3.203 0 50 IGAA COc1cccc(CC(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 169750953 ARIXXXHMPBGJIQ-UHFFFAOYSA-N 430.508 3.147 0 50 IGAA O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 169758664 ZJLADEQKJONFED-FQEVSTJZSA-N 442.947 3.186 0 50 IGAA CC(C)c1ccc(N2C(=O)[C@H](CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)N=C2O)cc1 252488716 IXLFYPLDMWWGNU-LJFZDNNRSA-N 427.545 3.373 0 50 IGAA COc1ccccc1N1CCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 261451069 OXGGVAVIDHARPI-DENIHFKCSA-N 434.540 3.009 0 50 IGAA Cc1c(C)[n+]([O-])c([C@@H](c2ccsc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587570 IJIUNIAUSUNSMI-SFHVURJKSA-N 440.521 3.432 0 50 IGAA CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)cc2C1 1456443624 OHQDNIOYJWMZIV-UHFFFAOYSA-N 426.452 3.415 0 50 IGAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(OC)cc1C)C2 1857684137 AHAUIQGBQHIBOX-TZBSWOFLSA-N 430.589 3.260 0 50 IGAA O=C(c1cncc(F)c1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857707635 WWQRSRDXQDQDDX-NRFANRHFSA-N 425.504 3.459 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)(c2ccccc2)CC1 1875370354 LPNWMNVYQZINJU-VQTJNVASSA-N 441.572 3.295 0 50 IGAA CC1=C(C(N)=O)[C@@H](c2cccc(O)c2)N2NC(SCc3ccccc3Cl)=NC2=N1 958572 VHNFLVDMYRUBRO-QGZVFWFLSA-N 427.917 3.325 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 1057284 IZVGVKDFRVHDTP-KRWDZBQOSA-N 425.876 3.082 0 50 IGAA CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3ccc(O)cc3)C(C(=O)OC)=C2)cc1 1074879 TWCUGCAOCXAXCZ-UHFFFAOYSA-N 437.448 3.287 0 50 IGAA COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)C(F)(F)F)CC2 1576494 BXGLTIXFXLUVOH-CYBMUJFWSA-N 439.386 3.111 0 50 IGAA biogenic O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 11582383 MRJZHFXLXKCAMK-XPWALMASSA-N 445.475 3.167 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(Cl)cc1)C2 14742131 RQGRFBCMIGBMGX-LJQANCHMSA-N 430.980 3.312 0 50 IGAA COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cccc(Cn4cccn4)c2)C3)nn1 14960196 ZPNUNSWQAYKMFS-HXUWFJFHSA-N 441.491 3.131 0 50 IGAA CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 16345625 CBYCBKAPOXNGGK-JOCHJYFZSA-N 436.483 3.372 0 50 IGAA CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NCc2ccccc2)C1 17097001 MCYOCCRBIAUTCV-CQSZACIVSA-N 430.526 3.233 0 50 IGAA O=C(c1cccc(OC(F)(F)F)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169749842 PBEVDGALSIITAU-UHFFFAOYSA-N 432.402 3.479 0 50 IGAA CC(C)(C)OC(=O)NCCCOC(=O)Cc1cc2c(cc1Br)OCCO2 170609462 SAMMDZNFZCXJQR-UHFFFAOYSA-N 430.295 3.221 0 50 IGAA O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229895383 LOKZOBQZSBEFGP-BJESRGMDSA-N 436.471 3.204 0 50 IGAA CC(=O)Nc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 239038766 DWUJVSJNWCYYGP-HLVWDJEMSA-N 447.535 3.195 0 50 IGAA CC(=O)Nc1ccc(C(=O)N2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)cc1 299756730 DYAOFKWYWFSACY-QHCPKHFHSA-N 437.540 3.027 0 50 IGAA O=C1C[C@H](C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)C2(CCCCC2)O1 299763028 ZBVOYMOSGHBQKZ-NHCUHLMSSA-N 438.568 3.240 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1 437205277 GCDLOFHFNSGARN-LJQANCHMSA-N 447.626 3.051 0 50 IGAA CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2CC1)c1nnc2n1CCCCC2 489462906 YVMZEOGQJWZCRU-GOSISDBHSA-N 427.549 3.283 0 50 IGAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2)CC1 1565510528 OQEHLEZKEZPNKY-KIHHCIJBSA-N 433.596 3.172 0 50 IGAA O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1)c1cccc(N=c2cncc[nH]2)c1 1875258424 BQRLUBHFBMXJJN-UHFFFAOYSA-N 437.403 3.156 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)c12 1875318117 MXFMSNIPIRJHNS-IUODEOHRSA-N 431.370 3.462 0 50 IGAA O=C(NCCCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1 2995943 IKHJDCOZIGALCA-UHFFFAOYSA-N 434.084 3.338 0 50 IGAA COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 3154686 WRITVWKTAHBLTD-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 8853496 XUJSXIYVPVZCQY-GOSISDBHSA-N 432.307 3.083 0 50 IGAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 9442200 NQNCVKXSKPJQCX-HOTGVXAUSA-N 447.557 3.017 0 50 IGAA CC(C)CC[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O 12051654 ZCSCWWKGUNMBGR-XMMPIXPASA-N 426.561 3.347 0 50 IGAA COc1cc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(OC)c1OC 12112308 VYNORNWFEXOOBM-LJQANCHMSA-N 447.620 3.257 0 50 IGAA COc1cc(CN(C)CCn2ccnc2C)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12316700 JMOXQVBYBXXLFG-QHCPKHFHSA-N 444.620 3.336 0 50 IGAA CCN1C(=O)C[C@](CC(=O)N(C)C[C@H]2CCCCO2)(c2cccc(C(F)(F)F)c2)C1=O 14953499 BXAOBPRRDZRVID-DYESRHJHSA-N 440.462 3.140 0 50 IGAA O=S(=O)(c1ccccc1)[C@H]1[C@@H]2C[C@H]([C@H]1S(=O)(=O)c1ccccc1)[C@]13[C@H]4C[C@H]5[C@@H]([C@@H]41)[C@@]523 101053494 HGKSRZHCCKJCCV-VYEHMOPFSA-N 438.570 3.203 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 248252984 QMVTZHKRYFLFKP-YOEKFXIASA-N 434.529 3.133 0 50 IGAA biogenic O=C(Cc1ccc(I)cc1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 328591527 VYOIHUMBYSIMOI-DLBZAZTESA-N 425.241 3.307 0 50 IGAA COc1cccc(-c2n[nH]cc2C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1 1704337099 UXEAQQGIDKIZTC-WZONZLPQSA-N 428.492 3.309 0 50 IGAA COc1cccc([C@H](NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)c2cccnc2)c1 1875258178 WOFJANCZKCZGEN-ACRUOGEOSA-N 435.505 3.000 0 50 IGAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1cccc2c1CN(CC(F)(F)F)C2 2325700759 FLOIJOPWQLEMNR-HNNXBMFYSA-N 434.466 3.393 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 691984 VBFZGHHFPGPRDN-UHFFFAOYSA-N 446.550 3.317 0 50 IGAA COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccs1 1087776 ABELRIIRVNKAGM-UHFFFAOYSA-N 429.494 3.479 0 50 IGAA CCOc1ccc(CCNC(=O)CSc2nc(C)cc3c2C(=O)OC3)cc1OCC 1446040 KWQDIMNZTGTTID-UHFFFAOYSA-N 430.526 3.309 0 50 IGAA CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(=O)CC)cc2)c1 2830762 WNJWAYZRZNAHCO-UHFFFAOYSA-N 430.555 3.435 0 50 IGAA O=C(COc1ccc(Cl)cc1)NCCCCNC(=O)COc1ccc(Cl)cc1 8455696 OFVRVIMYHUERBQ-UHFFFAOYSA-N 425.312 3.464 0 50 IGAA CC(=O)c1cccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 12380198 YKJHEEMEUGKFKR-UHFFFAOYSA-N 440.974 3.217 0 50 IGAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC 13943324 FXKJNZCQZIPJDH-OAHLLOKOSA-N 429.336 3.382 0 50 IGAA CC(=O)c1cc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@H](OCC3CC3)C2)cs1 14536888 SCHJUEJHUOEEEX-FQEVSTJZSA-N 426.538 3.231 0 50 IGAA COc1ccc(Cl)cc1NC(=S)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 16345896 UVARDSVFJGRXEE-UHFFFAOYSA-N 441.962 3.178 0 50 IGAA O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 16648435 BRICEOXIBAARQQ-QGZVFWFLSA-N 441.553 3.148 0 50 IGAA CCCN1CCC(N2C[C@@H](NCc3ccc(OC)c(C)c3C)C[C@H]2C(=O)NC(C)C)CC1 23374118 LHWYQKQOIRVPNQ-UPVQGACJSA-N 444.664 3.244 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Cl)C2=C1C(=O)OC2 169758987 RRGAPMRTCRXOEC-FQEVSTJZSA-N 441.871 3.255 0 50 IGAA COC(=O)c1cn(CCn2c(Cc3ccccc3)nc3ccccc32)cc2c(=O)[nH]nc1-2 263588799 YKSGQNBGOTUVQW-UHFFFAOYSA-N 427.464 3.104 0 50 IGAA O=C1c2ccccc2[C@@H](N2CCCC2)N1CCN1C(=O)c2ccccc2[C@@H]1N1CCCC1 334163415 RGSFWTOSLCMGQX-PSWAGMNNSA-N 430.552 3.487 0 50 IGAA O=C(Nc1cccc(Oc2cnccn2)c1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 499847547 DVHAWGQMIJAQKT-SFHVURJKSA-N 432.436 3.032 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2csc3ccccc23)CC1=O 2325819536 HYJVYZITXSKFQR-GDBMZVCRSA-N 428.535 3.316 0 50 IGAA COCc1cc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)[C@H](C)c3ccccc3C)CC2)no1 2332238836 NQEABHHYPLHVQA-RKXCMPKHSA-N 447.557 3.162 0 50 IGAA COc1ccc(-c2c(=O)n(OCc3c(F)cccc3F)c3ccccc3[n+]2[O-])cc1OC 1109176 ICQZPCGLVUVMJC-UHFFFAOYSA-N 440.402 3.226 0 50 IGAA COC(=O)c1ccccc1NC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)o1 2694924 FZGGYCCQDNKOFC-UHFFFAOYSA-N 445.526 3.286 0 50 IGAA COc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1Br 2858601 ZKDACWCAOWYIJW-UHFFFAOYSA-N 435.384 3.054 0 50 IGAA COc1ccccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O 2988577 SUFNTJUZFBLGQW-UHFFFAOYSA-N 442.990 3.164 0 50 IGAA Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4ncc[nH]4)c3)c2)c1 11789683 PBICATQDXLLTIR-UHFFFAOYSA-N 428.496 3.357 0 50 IGAA Cc1nonc1CN1C(=O)c2cccc(N3CCN(C/C=C/c4ccccc4)CC3)c2C1=O 12338179 SRWPWBSYXATUAG-RMKNXTFCSA-N 443.507 3.010 0 50 IGAA COc1cccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)c1 12745039 SLVOAYANTSXUMY-XMMPIXPASA-N 431.536 3.198 0 50 IGAA O=C(NCCc1ccc(Cl)cc1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 14879817 QZLBXGKSSJILMM-UHFFFAOYSA-N 449.938 3.415 0 50 IGAA O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCc1cnn(-c2cccc(F)c2)c1 14979975 WZCKKIFGKORAEN-QFIPXVFZSA-N 426.517 3.361 0 50 IGAA COc1cc(-c2nc(CN3CCC(CN4CCCC4=O)CC3)c(C)o2)cc2c1OCO2 20205597 QRZWJHCQDGLMSW-UHFFFAOYSA-N 427.501 3.222 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccccc4Cl)CC3)n[nH]c2=O)cc1 169770598 ZKZGYBAMZVHDTI-UHFFFAOYSA-N 440.931 3.230 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 226932207 XNQZASOJZYJLNJ-FBAVSBLXSA-N 441.409 3.137 0 50 IGAA COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 230201479 CHQCIYDGSITZBR-XGMKGGNISA-N 427.926 3.080 0 50 IGAA O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)N1CCNCC1 237889217 VUZARPOMHJKYFD-UHFFFAOYSA-N 435.549 3.128 0 50 IGAA CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4CCCN4Cc4ccccc43)cc2C[C@H]1C 241124268 JGVCXIXACNVMLQ-OXQOHEQNSA-N 425.554 3.157 0 50 IGAA COc1ccc([C@H](NC(=O)C[C@H]2N=C(O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 252499805 SEUSXNVPJSGKIM-TZIWHRDSSA-N 425.485 3.237 0 50 IGAA Cc1cccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)n2)c1 263619490 YWZMLQMYRRBVSI-UHFFFAOYSA-N 431.427 3.201 0 50 IGAA CN1C[C@H](C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c2ccccc2C1=O 425926868 WQKVUVQPIVJGIU-UZLBHIALSA-N 434.471 3.451 0 50 IGAA O=C(c1n[nH]c2c1COCC2)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857702444 BMYNWLMKNBCTQB-HXUWFJFHSA-N 438.572 3.194 0 50 IGAA CCN1CCN(c2cc(CNC(=O)c3c[nH]nc3-c3ccc(F)c(Cl)c3)ccn2)CC1 2325744660 DEHGGPJQKMNGAW-UHFFFAOYSA-N 442.926 3.336 0 50 IGAA CCOc1nc(C(=O)N2CCC[S@](=O)(=NC(=O)CCc3ccc(C)cc3C)CC2)co1 2332238713 JFCSWLVYJKNNPV-WJOKGBTCSA-N 447.557 3.163 0 50 IGAA CO[C@@](C)(C(=O)N1CCC[S@](=O)(=NC(=O)c2ccc(C)o2)CC1)c1ccccc1F 2332238831 NOJBWLVAPWASJP-IIMAJNMQSA-N 436.505 3.129 0 50 IGAA O=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 674357 VNEXIRVSEATWLA-UHFFFAOYSA-N 439.331 3.251 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccccc1Cl 9339654 ANENLLUJFMXJCE-OXRZLYTFSA-N 442.899 3.201 0 50 IGAA COC(=O)c1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 9846607 GWPZKFSLGAERME-UHFFFAOYSA-N 430.526 3.435 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 10041721 HAMNCJRLHHLKDJ-UKTHLTGXSA-N 448.541 3.395 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCCN2CCCC2=O)C1 12021572 CJUVXEYERUPSKB-QHCPKHFHSA-N 436.499 3.082 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN([C@H](C)Cn3nc(C)cc3C)CC2)c(Cl)c1 12051928 QZGCTLFZWSPYJV-GOSISDBHSA-N 448.995 3.461 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCCc2ccccc2F)C4)cn1 12245616 YXCIKWRGPCJHRR-QGZVFWFLSA-N 437.544 3.069 0 50 IGAA CCOc1ccc(-n2c(-c3ccc(C)cc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12411991 SAAYRWSYLYYQCY-UHFFFAOYSA-N 443.507 3.358 0 50 IGAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)n1 13009100 GGCUCRLYEKEYBS-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1 14980536 SWGSMZOKDGPUKJ-IBGZPJMESA-N 434.544 3.189 0 50 IGAA CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C2CC2)CC1 14992380 DPJHWZYJOFYTQH-UHFFFAOYSA-N 446.555 3.383 0 50 IGAA CCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccn3)CC2)cc1 22910054 CONSYIBEVLCKSA-DEOSSOPVSA-N 442.563 3.334 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)c1csc(CN)n1)C(=O)N1CCC(Cc2ccccc2)CC1 236964992 ADQCFTFXOXSXEC-HRAATJIYSA-N 428.602 3.228 0 50 IGAA COc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1 239287452 CVAXXIZYLRVQGF-NJDAHSKKSA-N 439.487 3.115 0 50 IGAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc3c(c1)OCCCO3)C=C2 253412184 QDIXJCBEKSYESV-UHFFFAOYSA-N 438.480 3.249 0 50 IGAA biogenic Fc1ccc(-c2nc(Cn3nnc(Cc4cccc(Br)c4)n3)no2)c(F)c1 436038230 BCVCQNVGKZEVOY-UHFFFAOYSA-N 433.216 3.403 0 50 IGAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CCCC[C@H]1CCCc1ccccc1 443715400 BWOGGFLVWSZQBX-INIZCTEOSA-N 428.514 3.002 0 50 IGAA CC1CCN(C(=O)COc2ccccc2CN2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529100424 RSKGGKSARWTEDW-AOYPEHQESA-N 438.568 3.258 0 50 IGAA Cc1cccc(-n2nc3c(c2NC(=O)[C@@H](C)N2C(=O)NC4(CCCC4)C2=O)CSC3)c1 2325823498 VGGWWQBABXWFIE-CQSZACIVSA-N 439.541 3.119 0 50 IGAA CCc1c(-c2csc(N3CCNC[C@@H]3C(=O)NCC3CC(C)C3)n2)[nH]c(C)c1C(C)=O 2332239495 ZAAIMEGZRGMBSZ-NSRCDFIJSA-N 443.617 3.152 0 50 IGAA COc1cc(C(=O)Oc2ccc(OC[C@@H](O)CNC(C)C)c(C)c2C)cc(OC)c1OC 638665 SQVISWDYYIJRMB-SFHVURJKSA-N 447.528 3.286 0 50 IGAA Cc1cc(=O)c(C(=O)NCCc2ccccn2)c(CCc2ccccc2)n1C[C@H]1CCCO1 11910940 UVYBEXNXKPIFRP-HSZRJFAPSA-N 445.563 3.488 0 50 IGAA CN(Cc1cscn1)C(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccsc3)nc2C1 12037639 YJLCZDMCWYBZJN-LLVKDONJSA-N 432.552 3.317 0 50 IGAA COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4nc5ccccc5[nH]4)CC3)C2=O)cc1 14755715 RQOQZKKHFONVLT-UHFFFAOYSA-N 433.512 3.000 0 50 IGAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)c1=O 14983506 HHYDWMSEQIKREW-KRWDZBQOSA-N 449.555 3.477 0 50 IGAA O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32091781 HBUWIJPUGFUYIJ-CYBMUJFWSA-N 438.841 3.329 0 50 IGAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)CC1 55053249 WRJBSGAYMBQEOB-IBGZPJMESA-N 428.602 3.124 0 50 IGAA COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1OC 65365707 YNGNODYRTFYNMZ-QGZVFWFLSA-N 448.527 3.452 0 50 IGAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NC[C@H]2C(=O)Nc3ccccc32)c1C 102500143 APMMGLJUJZBYRD-HXUWFJFHSA-N 445.519 3.182 0 50 IGAA COC(=O)C[C@@]1(NC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)CCOC1 170596765 AMCMVXQJLNHCMH-JYSHFMIGSA-N 445.519 3.450 0 50 IGAA CN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)[C@H]1c1ccccc1 170607327 XZUDKYYJSBSKGJ-MBSDFSHPSA-N 434.521 3.492 0 50 IGAA C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)C1=O 225659223 JXOWIOSRGUPLSW-PKOBYXMFSA-N 433.508 3.142 0 50 IGAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 263617070 LXKJQXXOOBLIDT-OAQYLSRUSA-N 431.496 3.041 0 50 IGAA CCn1ccnc1CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccccc1)[C@@H]2O 299762348 ULJPEKXFGHWALX-RPWUZVMVSA-N 430.552 3.282 0 50 IGAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1ccc2nc[nH]c2c1F 1875288055 MBKNFVCPCYVNKC-ZDUSSCGKSA-N 442.458 3.424 0 50 IGAA Cc1cc(C(=O)N=[S@@]2(=O)CCCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)ns1 2332238628 FZAPZVBJWOBAHZ-SSEXGKCCSA-N 447.582 3.395 0 50 IGAA COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1Cl 983135 GWELTBNDBSUAHW-UHFFFAOYSA-N 439.342 3.199 0 50 IGAA O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C1CCCC1 1076042 HKRLGFPOUXDSGY-UHFFFAOYSA-N 429.567 3.441 0 50 IGAA COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 1170285 FLPOAIMLKSQBAB-UHFFFAOYSA-N 429.311 3.108 0 50 IGAA COC(=O)CCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 11878665 MIUVMODNNLOALX-XMMPIXPASA-N 442.600 3.217 0 50 IGAA COc1cccc(COc2nc3cc(F)ccc3cc2CNC[C@@H]2CCS(=O)(=O)C2)c1 15004518 MSQVLKXJFOUQKV-KRWDZBQOSA-N 444.528 3.486 0 50 IGAA Cc1ccc(S(=O)(=O)N2C/C=C\CN(S(=O)(=O)c3ccc(C)cc3)C/C=C\C2)cc1 43198599 FSTBXBPWUSNRKR-GLIMQPGKSA-N 446.594 3.111 0 50 IGAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 65362416 MFVRLKOMMGAAET-UHFFFAOYSA-N 437.569 3.049 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc5[nH]ccc45)ccn3n2)c1 169777100 QYAQWIXTBGUVOI-UHFFFAOYSA-N 427.464 3.083 0 50 IGAA CC(C)CCn1c(COc2ccccc2)nnc1SC[C@@H]1CCN(S(C)(=O)=O)C1 240551544 GUNQKEWIGMWJSX-QGZVFWFLSA-N 438.619 3.277 0 50 IGAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1 253394236 AJEZDHWBAVVFQI-WOJBJXKFSA-N 441.915 3.345 0 50 IGAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)Cc2noc(C3CCC3)n2)ccc1F 1772704851 QDQARPQWNBONCQ-UHFFFAOYSA-N 429.452 3.478 0 50 IGAA COc1cc(-c2nc(CNC(=O)[C@H]3CC(=O)Nc4ccc(F)cc43)c(C)o2)ccc1O 1857671233 RBHDIIJJHAPJJC-HNNXBMFYSA-N 425.416 3.246 0 50 IGAA O=C(O)c1ccc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1 2566401 PWOOQGJCRRKDBU-UHFFFAOYSA-N 436.077 3.448 0 50 IGAA COc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8768250 GLTXTKFSVSWEKF-IAGOWNOFSA-N 437.315 3.070 0 50 IGAA C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10510715 YNOVOYZYLHBTJP-OAHLLOKOSA-N 446.477 3.497 0 50 IGAA C[C@H](CCn1cccn1)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12202143 NPANEJSZEWJDFZ-GOSISDBHSA-N 448.011 3.150 0 50 IGAA COCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)COc2ccccc2)CC1 14987016 WJWBXSYYRRYFNO-QHCPKHFHSA-N 442.531 3.159 0 50 IGAA C[C@H](C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1)N1CCOCC1 20999819 FRLNPWPFEJCKSF-LJQANCHMSA-N 433.556 3.011 0 50 IGAA COc1cc(CNCC(C)(C)CN(C)C)ccc1OC[C@H](O)CN1CCCCCCC1 55109065 HARNPZNMGABZOU-JOCHJYFZSA-N 435.653 3.378 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 111009910 NNXCVFJBROOOJA-TUQDCPSNSA-N 438.553 3.369 0 50 IGAA Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 252486413 HLBHJZUJODONMW-UHFFFAOYSA-N 431.536 3.186 0 50 IGAA O=C(N[C@@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1)c1ccccc1 486185716 LRWYCFPKNQZOIH-RBBKRZOGSA-N 434.467 3.357 0 50 IGAA O=C(Cc1ccccn1)N1CCCN(C(=O)Nc2cccc(OCc3cccnc3)c2)CC1 1875262529 ZXQLIKFBKPJPMC-UHFFFAOYSA-N 445.523 3.365 0 50 IGAA CN1CC[C@H](c2nc(-c3ccc(OC(F)F)c(Cl)c3)nn2[C@@H]2CCCOC2)C1=O 2325827354 DBOGFWSBJFOOPE-CHWSQXEVSA-N 426.851 3.497 0 50 IGAA Cn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccc(F)cc1 9095970 ZJDDINZWZPBRSO-UHFFFAOYSA-N 429.496 3.201 0 50 IGAA CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)cc1 11783624 JHAJQWVRFWOSST-LJQANCHMSA-N 432.572 3.421 0 50 IGAA COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)C(C)(C)C)CC4)c3C2=O)c1 11881316 BZZNSKNUKKTAJH-UHFFFAOYSA-N 449.551 3.229 0 50 IGAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)CCC(=O)N(C)C)C3)c1 12283516 PYYVUGZNLAGTEL-SFHVURJKSA-N 426.488 3.292 0 50 IGAA COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4[nH]cnc4C)CC3)C2=O)cc1 19112940 DCQKVQXPBUACAP-UHFFFAOYSA-N 439.560 3.182 0 50 IGAA O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccc2nsnc2c1 22752089 VMPKQJXSGYQRGR-UHFFFAOYSA-N 435.475 3.466 0 50 IGAA CCNC(=S)N1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 54254411 MBGYVFWZYZSQRZ-UHFFFAOYSA-N 444.988 3.022 0 50 IGAA Cc1c(Br)ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239287457 CVRNLTZOADPACO-GCQCLRAASA-N 429.314 3.058 0 50 IGAA COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCSCC1)C3 299767629 IHNCIRVDGUNNNE-MRXNPFEDSA-N 427.595 3.421 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2csc(C(C)C)n2)C1 1857695974 GRYAMTYWUFQYTN-NHCICSSKSA-N 448.677 3.138 0 50 IGAA O=C(CN1Cc2cccnc2N2C[C@H](O)C[C@@H]2C1)N1c2ccccc2CCc2ccccc21 2325757651 BRYWGWDQTPLEFT-DHIUTWEWSA-N 440.547 3.300 0 50 IGAA COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2ccc(F)c3cnccc23)cc1OC 2325839663 APPDEYQMIRKHOT-CQSZACIVSA-N 426.444 3.295 0 50 IGAA C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccccc2F)n1C 1060428 ZBRFXVNQLQQROL-LBPRGKRZSA-N 431.468 3.315 0 50 IGAA COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC 2385764 XBRXTUGRUXGBPX-DLBZAZTESA-N 437.500 3.096 0 50 IGAA in-vivo COC(=O)[C@@H]1CC(=O)N(Cc2cccc(OC)c2)C12CCN(C[C@H]1CC=CCC1)CC2 12040493 DVRQRFXUOZKDSQ-UGKGYDQZSA-N 426.557 3.408 0 50 IGAA COC[C@@H](C)NC1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 12242901 SOFFQVLMYUUKAO-LJQANCHMSA-N 427.564 3.320 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 13427027 NLKVNDGDQNJNTK-RLFYNMQTSA-N 428.794 3.453 0 50 IGAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1sccc1Cl)C2 14968692 WTOKXDMOAJJKNJ-UHFFFAOYSA-N 427.979 3.133 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1ccc(Cl)cc1 23358397 YXIOPLUHODQDEL-UTKZUKDTSA-N 437.918 3.114 0 50 IGAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccccc1)Cc1scnc1C 67833343 FSEKJRYNJZNRNW-FQEVSTJZSA-N 426.586 3.137 0 50 IGAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4c(F)cccc4Cl)ccn3n2)cc1 169775837 PMGKEWLPVBDKFH-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA O=C(OCC(=O)c1cccs1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239165107 NLPBVTSDDKPGTC-KPARWEMLSA-N 433.485 3.345 0 50 IGAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 472007242 CSWOFNBFLCFAJR-WMZOPIPTSA-N 448.292 3.314 0 50 IGAA Cc1c(CNC(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@@H]2N3C(=O)CO)oc2ccccc12 1704343551 JFSSAIYENAHSEY-BLFHIAQRSA-N 432.520 3.342 0 50 IGAA COc1cccc(OC)c1OCc1nnn([C@@]2(C(=O)O)CC[C@H](Cc3ccccc3)C2)n1 1875323062 VFSXUAZZXUKQGT-HXOBKFHXSA-N 438.484 3.092 0 50 IGAA COCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 3005039 YPWIIYHCRQWUCX-UHFFFAOYSA-N 445.368 3.255 0 50 IGAA COCC(=O)Nc1cc(C(=O)NCCc2cccs2)c2c(c1)nc(-c1ccncc1)n2C 11789524 HJBFEHIZMWKAJT-UHFFFAOYSA-N 449.536 3.254 0 50 IGAA C[C@H](NC(=O)[C@H]1CC(=O)c2sc(NC(=O)Cc3ccccc3)nc2C1)c1nccs1 11965220 GPXCGRPDOAQXEF-GXTWGEPZSA-N 440.550 3.403 0 50 IGAA COc1ccc(-c2noc(CN3CCC[C@H](C(=O)c4cccnc4)C3)n2)c(OC)c1OC 12073816 MWLWQOWEEBIIQK-INIZCTEOSA-N 438.484 3.252 0 50 IGAA CC(=O)N1CCC[C@H]1C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 12459734 OQXNZUMSOVREOK-NRFANRHFSA-N 439.522 3.429 0 50 IGAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)C[C@H]2C(=O)NCCc1ccccn1 14980339 VEQKANZWEMTNNE-KNQAVFIVSA-N 435.568 3.450 0 50 IGAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)c1=O 14986601 KVCBDRVAPHXMQT-QGZVFWFLSA-N 449.555 3.477 0 50 IGAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O 14987176 HARUSIPXEJLURC-UHFFFAOYSA-N 439.434 3.083 0 50 IGAA CCCN1CCC(N2C[C@@H](NC/C(Cl)=C/c3ccccc3)C[C@H]2C(=O)NCC)CC1 20167462 GCOPMZCZXGDEHG-KFSNBYIWSA-N 433.040 3.309 0 50 IGAA Cc1cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Br 20327630 BDTUOOFKPBJGCP-UHFFFAOYSA-N 447.329 3.209 0 50 IGAA COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)c1 170617374 YZMRUTGCARVGDB-UHFFFAOYSA-N 442.266 3.132 0 50 IGAA CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@H]3CCCNC3)nc12 214266418 LSGRZENCFIIHNV-SFHVURJKSA-N 432.532 3.176 0 50 IGAA CC(=O)c1ccc(-c2ccc(C=c3sc4nc(=O)c(-c5ccccc5)nn4c3=O)o2)cc1 254295755 CWUNHPKSSJTQGC-UHFFFAOYSA-N 441.468 3.189 0 50 IGAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CN1Cc1cccnc1 2356168785 NRTKWGVBKDAMHC-IBGZPJMESA-N 444.535 3.002 0 50 IGAA CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 9457503 YTJCYWFKGYUNQX-UHFFFAOYSA-N 439.519 3.272 0 50 IGAA COCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccn2)CC1 12190298 DHSYZMJCTBADJY-YSESTWPTSA-N 439.531 3.189 0 50 IGAA COCCCN1C(=O)c2cccc(N3CCN([C@@H](C)Cc4ccc(F)cc4)CC3)c2C1=O 12217276 ZYZJZCBPSQGWNV-SFHVURJKSA-N 439.531 3.211 0 50 IGAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C(C)=C/c1ccccc1)CC2 14532517 BLTAKZHCLZKQJF-HEHNFIMWSA-N 448.567 3.430 0 50 IGAA O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CC[C@@H](Nc2ccccc2)C1 110554828 YNTSNKRIABTJHU-QGZVFWFLSA-N 441.329 3.262 0 50 IGAA Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)cc1Br 239046294 FMZGCDSOPNJRQI-DPXVYKJRSA-N 429.314 3.058 0 50 IGAA COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c2)cc1 239309904 HXPJLVBBCSIKNM-KKFDQILXSA-N 443.455 3.250 0 50 IGAA CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)[C@@H]2CCCC[C@@H]21 247962353 RCTJTKDCQITONR-ZLIFDBKOSA-N 448.416 3.236 0 50 IGAA CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(sc(=Cc3ccc(C)o3)c2=O)=N1 254312786 REZQQCBIQOFDHD-IBGZPJMESA-N 442.562 3.397 0 50 IGAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2cccc(Cl)c2)CC1 263615354 BYQFXHSJVZOMNU-FQEVSTJZSA-N 441.894 3.305 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)C1=O 768308891 GLFLSFLCIYPSPA-FQUWXVCBSA-N 439.515 3.309 0 50 IGAA O=C(CCCc1cnn[nH]1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893184 LGPIBFRJERZTBF-SFHVURJKSA-N 438.385 3.049 0 50 IGAA COc1c(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)ccc(Cl)c1Cl 1704311643 OKRNQHLREUUCEC-SFHVURJKSA-N 443.356 3.043 0 50 IGAA O=C(NCC1(c2ccccc2F)CCCC1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857687675 YYQRCTJLURXQBF-IPVFLDMMSA-N 443.607 3.234 0 50 IGAA Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC(=O)Cc3ccc(C)cc3)c2)cc1 1875326553 LEIUAFPTYVSARZ-UHFFFAOYSA-N 436.533 3.281 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccccc1 653663 XQXZMRTZYFKKRF-WLJFKGHSSA-N 443.528 3.280 0 50 IGAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)nc(C)n1 702678 PAAJOCQNIBDJBA-AWEZNQCLSA-N 444.488 3.439 0 50 IGAA O=C(Nc1ccccc1F)c1cc(Cl)c(Cl)c(S(=O)(=O)N2CCOCC2)c1 1158994 ZYKHOVWZIOVKSR-UHFFFAOYSA-N 433.288 3.406 0 50 IGAA CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 3796262 KSNUCNRMDYJBKT-UHFFFAOYSA-N 449.551 3.176 0 50 IGAA in-vivo COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cc(CC(C)C)[nH]n2)CC1 12317432 OSSUVUJNYKFHNX-UHFFFAOYSA-N 444.576 3.036 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12468277 HNKNQVCKVLXJRU-NRFANRHFSA-N 437.540 3.406 0 50 IGAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 13152789 YWULDGBAPHDBFO-UHFFFAOYSA-N 436.961 3.108 0 50 IGAA biogenic NC(=O)[C@H]1CCCN(C2CCN(c3ccc(NC(=O)Cc4cccc(F)c4)cc3)CC2)C1 20599283 WHDNTRNYCZHPSQ-IBGZPJMESA-N 438.547 3.173 0 50 IGAA O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(Cc2ccccc2Cl)CC1 218541218 MELRZSKTCUBKOH-UHFFFAOYSA-N 431.964 3.303 0 50 IGAA COc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239305916 GEJAJLKIQWMXGS-WXDXSDFVSA-N 442.515 3.298 0 50 IGAA CCn1c(CN2CC[C@H]3CCCC[C@H]3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 239310314 IIQAPTLAXKIVSR-MOPGFXCFSA-N 446.617 3.089 0 50 IGAA C[C@@]1(O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@@]2(C)O)C(=O)O[C@]1(C)Cc1ccccc1 245255023 DQGRJAZMPUBWTA-YCAMKHIRSA-N 440.496 3.226 0 50 IGAA Cc1ccc(CCCC(=O)N2CCC[C@H](c3ccc4c(O)nc(=O)n(C)c4n3)C2)cc1F 2080318033 WFZBMHXDYZNLIU-KRWDZBQOSA-N 438.503 3.211 0 50 IGAA COc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)CCC2 2325732659 YDFGCUAZACBGGG-SFTDATJTSA-N 429.948 3.261 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(C(F)(F)F)nn1C)CC[C@H](C)C3 2779064 CFWDGYSWWCQHLI-QMMMGPOBSA-N 425.436 3.027 0 50 IGAA COc1cc(CO[C@@H]2CN(Cc3ccc(O)cc3)CC(=O)N(C(C)C)C2)cc(OC)c1 14537454 SKCCDFMFQWNZDH-HSZRJFAPSA-N 428.529 3.047 0 50 IGAA O=C1CN(Cc2cccc(O)c2)C[C@H](OCc2ccncc2)CN1CCc1ccccc1 14741724 BDEJUNGGDVSWQJ-VWLOTQADSA-N 431.536 3.260 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1 14991197 JYPQBQOQLXEMEW-IBGZPJMESA-N 448.527 3.219 0 50 IGAA CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)OCC)CC3)C2=O)cc1 18115600 KKQBYIZPDKJKCN-HXUWFJFHSA-N 431.533 3.052 0 50 IGAA Cn1cc(C(=O)O)c(C(=O)N(CCc2c[nH]c3ccc(Cl)cc23)Cc2cccn2C)n1 20616441 JROGPKCYMQFOTE-UHFFFAOYSA-N 439.903 3.477 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)CCC3 20617743 WSIQTPZHDSPJJP-UHFFFAOYSA-N 429.889 3.130 0 50 IGAA COc1cc(CN(C)Cc2nc3ccccc3[nH]2)ccc1OC[C@@H](O)CN(C)C(C)C 53537563 NFYQEBWOQHGZQG-IBGZPJMESA-N 426.561 3.283 0 50 IGAA O=C(N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)C1(O)CCCC1 72145299 DMMDTKRZQIAOIL-IBGZPJMESA-N 425.495 3.124 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1Cl 72441700 CTXPBWIUBCUWLX-UHFFFAOYSA-N 430.940 3.483 0 50 IGAA CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccccc2=O)[C@@H](c2ccccc2Cl)C1 225741517 XUBJLCOZRJIARO-GOSISDBHSA-N 431.920 3.322 0 50 IGAA CN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 241401095 NBDHYAPMBUPPHN-SFHVURJKSA-N 438.496 3.385 0 50 IGAA COc1ccnc(N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1 252584425 AJNNWLJFALCNSV-WOJBJXKFSA-N 448.489 3.049 0 50 IGAA CC(C)Cn1cc(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c2ccccc21 886025209 DBTBSQASKYDIJN-JOCHJYFZSA-N 446.551 3.487 0 50 IGAA O=C(Cc1cccnc1)N1CCC[C@H]([C@H]2CCN(C(=O)C3=Cc4cc(F)ccc4OC3)C2)C1 1875360167 AKFURJBSFCSSRU-PMACEKPBSA-N 449.526 3.326 0 50 IGAA O=C(NC[C@H](Cc1cccc(F)c1)C(=O)O)c1c[nH]c2ccc(Br)cc2c1=O 2325877432 RDZYQOSOTAJPFI-LBPRGKRZSA-N 447.260 3.103 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1ccco1 1065589 CNZGEPOSBXMMDF-UHFFFAOYSA-N 426.922 3.239 0 50 IGAA CCOc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)cc1 8768144 NWUAOLGTSRGYBI-INIZCTEOSA-N 427.931 3.245 0 50 IGAA COc1ccc(CNCCc2cccnc2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 11937656 JDEZKHVRPFEFJQ-DEOSSOPVSA-N 435.568 3.294 0 50 IGAA CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 17100719 YAYHZIQFYQPENK-UHFFFAOYSA-N 436.599 3.033 0 50 IGAA O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 19892044 DOYRSIYTQFVMGZ-QHCPKHFHSA-N 446.503 3.384 0 50 IGAA Cc1nc2cc(OCc3cc(C(=O)NCC(C)(C)N4CCOCC4)no3)ccc2s1 67650522 BQWHMLWDTCJUEX-UHFFFAOYSA-N 430.530 3.012 0 50 IGAA COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1O 100742070 LEBSQAFYDAPXJL-ZRBLBEILSA-N 430.460 3.448 0 50 IGAA O=C(O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 170610021 JADQBERBBKTCFD-QQUYBBDPSA-N 442.487 3.435 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C[C@@H](C)O)c2)cc1 225745661 NPPRGNOFYOVZAG-APWZRJJASA-N 432.542 3.262 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)[C@H](C)C2)c(C)c1 231430939 XJMFGTGZBRQZAJ-LJQANCHMSA-N 436.599 3.004 0 50 IGAA CN(C)Cc1ccc(N2CCN(C(=O)NC3CCN(CC4CCCCC4)CC3)CC2)nc1 734067550 QJLMXIWRPQIIFJ-UHFFFAOYSA-N 442.652 3.020 0 50 IGAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)N1CCN2C(=O)OCC[C@H]2C1 764260751 QRSCWURAFZOOKR-KNTRFNDTSA-N 445.947 3.166 0 50 IGAA CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(N)=O)c1cccc(F)c1 1875317855 KPWXQIIKYWQQSS-TZIWHRDSSA-N 441.503 3.393 0 50 IGAA C[C@H]1NC(=O)O[C@]12CCN(c1nnc(-c3n[nH]c4ccccc34)n1Cc1cccs1)C2 1875322584 XQBHIXPCXSTHMZ-ASSNKEHSSA-N 435.513 3.008 0 50 IGAA C[C@@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1cccc(N2CCCS2(=O)=O)c1 1875334656 XZYRYXVBWGRGPI-QGZVFWFLSA-N 431.558 3.296 0 50 IGAA Cc1ccccc1C(=O)N[C@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl 808675 AFCMACVHVWBXKM-HNNXBMFYSA-N 436.748 3.181 0 50 IGAA COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1OC 919828 PYAAODFFUMGGDG-UHFFFAOYSA-N 443.447 3.131 0 50 IGAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 1049416 IKWGNWSOCNCPHA-UHFFFAOYSA-N 428.869 3.061 0 50 IGAA COCc1c(C(=O)NCc2cccc(OC)c2OC)cnn1-c1nccc(-c2ccco2)n1 11869993 SFOPXYICRNISBF-UHFFFAOYSA-N 449.467 3.016 0 50 IGAA Cc1cccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)N(CCN(C)C)C3=O)CC2)c1 12034740 IJZJKDQMWKZDFB-VWLOTQADSA-N 442.604 3.136 0 50 IGAA CCc1c(C(=O)N2CCN(c3ccccn3)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 12035540 AVJFJKIEZSFZRM-UHFFFAOYSA-N 446.551 3.133 0 50 IGAA COCCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)c2C1=O 12242829 VXZOMIYEOGOZDO-FQEVSTJZSA-N 449.551 3.194 0 50 IGAA CC[C@@H](NC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1)c1ccncc1 12448107 AUWHJWBLCCKUBS-JOCHJYFZSA-N 425.529 3.369 0 50 IGAA O=CN1CCCN([C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)CC1 14981907 YSSUDJJNWTXJMD-GOSISDBHSA-N 428.602 3.060 0 50 IGAA O=C(c1cn(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)nn1)N1CCCC1 15007010 RSHQHNZBGYVKDW-UHFFFAOYSA-N 441.963 3.453 0 50 IGAA CCN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 20351436 WXFLFIPDWYRPIZ-UHFFFAOYSA-N 435.634 3.099 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)C1 170605702 KFPIZXGAXGSXDU-PNCHPQGNSA-N 445.585 3.093 0 50 IGAA COC[C@H](c1cccc(C(F)(F)F)c1)N(C)CCC(=O)NC(=O)NCC(F)(F)F 170656151 CBLQYQXEVLGGOG-CYBMUJFWSA-N 429.361 3.103 0 50 IGAA O=C1CCc2ccc(O)c(c2)Oc2cccc(c2)[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2N1 1875240186 KZUMCERFFOSYRU-PZJWPPBQSA-N 429.476 3.250 0 50 IGAA CC1(C)Cc2ccccc2N(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325901487 IFWURUWBNIFRPI-FQEVSTJZSA-N 446.507 3.068 0 50 IGAA CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 1174450 SDLTWTQMLHKRIR-UHFFFAOYSA-N 425.348 3.359 0 50 IGAA CCOC(=O)c1sc(NC(=O)CCn2c(=O)oc3ccccc32)c(C(=O)OCC)c1C 9226880 SHPZVUJHTIPTET-UHFFFAOYSA-N 446.481 3.347 0 50 IGAA C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc2NC1=O 9441086 LIRJVZHYBJVAIF-LBPRGKRZSA-N 438.958 3.253 0 50 IGAA CC(C)NC(=O)C1CCN(C2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)CC1 11817097 BWINIPOHONNDTE-UHFFFAOYSA-N 431.552 3.016 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(F)cc1 13590925 NBTVFKLAHFLNPU-GTENMVSRSA-N 442.899 3.201 0 50 IGAA O[C@H](COc1ccccc1CNCCc1c[nH]c2ccccc12)CN1CCSCC1 14975380 MRQVMTXPTCNFSH-NRFANRHFSA-N 425.598 3.289 0 50 IGAA COCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)CCc2ccco2)CC1 14993932 UHXAWHAVOBXOEF-JOCHJYFZSA-N 430.520 3.306 0 50 IGAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)[C@H]2CCOC(C)(C)C2)C3)nn1 14994938 WFMQCYUMZBURCF-HNNXBMFYSA-N 427.501 3.087 0 50 IGAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 15919210 LSPORSJYLUNKMN-UHFFFAOYSA-N 428.554 3.071 0 50 IGAA CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 15919325 LGUJWGCOWJSHHS-UHFFFAOYSA-N 445.560 3.209 0 50 IGAA O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)c1ccc(Cl)cc1Cl 16184081 UTGJRGKOBWPWMV-UHFFFAOYSA-N 433.342 3.048 0 50 IGAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)n1 67622763 CEPLOPNAAOSBKD-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA C[C@H](C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468658702 LKMVRSGMWCLISE-XTSSOZKMSA-N 430.504 3.006 0 50 IGAA COc1ccc(C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)c(OCC2CC2)c1 472451839 KYLHXNOOBGRCJF-UHFFFAOYSA-N 431.492 3.483 0 50 IGAA CC[C@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1OC 1471279057 DBAUGUHZXZOFMT-CVAIRZPRSA-N 427.419 3.082 0 50 IGAA COc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)ccn1 1857705594 NQDVDDAYJXZBND-NRFANRHFSA-N 437.540 3.329 0 50 IGAA C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cnc(-c3cnccn3)s2)C1 1875256903 SMZMNTXHIQPFCS-CVEARBPZSA-N 429.546 3.463 0 50 IGAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(N3CCNC3=O)c2C)c(C)c1CC(=O)O 1875264843 FCLHDFOTIOJUDZ-UHFFFAOYSA-N 449.504 3.017 0 50 IGAA CCOC(CNC(=O)c1ccc2c(c1)[C@@H](C)CO2)CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 2325716901 WVXVCIZTPLVHQE-HOTGVXAUSA-N 438.524 3.243 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 871671 JWCHRPMABBPIQX-SJLPKXTDSA-N 433.302 3.468 0 50 IGAA CCSc1nnc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)O)cc4)cc3C2=O)s1 8417477 GMWVRNOUXHNKPN-UHFFFAOYSA-N 439.474 3.380 0 50 IGAA COc1cccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccco3)C2)c1OC 11973776 BQYTYFZTCTXYJF-UHFFFAOYSA-N 435.480 3.129 0 50 IGAA O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)N1 12204988 WWLVLQGCNFFQGB-DEOSSOPVSA-N 441.478 3.418 0 50 IGAA CCOc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)cc1 14886173 DOVLLYIZFWEZCO-NRFANRHFSA-N 426.561 3.071 0 50 IGAA O=C1NC(=S)N(Cc2ccccc2)C(=O)C1(CCc1ccncc1)CCc1ccncc1 16474740 RZQSOBSPTUVOOB-UHFFFAOYSA-N 444.560 3.472 0 50 IGAA CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cccs2)CCO3)CC1 19839906 OGYKWSQVVMFXJR-UHFFFAOYSA-N 429.542 3.057 0 50 IGAA COc1ccc(-c2nc(CN3CCN(CC(=O)NC(C)C)CC3)c(C)o2)c2ccccc12 20917155 BFYZYABUSZGSRU-UHFFFAOYSA-N 436.556 3.454 0 50 IGAA CC[C@@H](C(=O)N[C@H](O)C(Br)(Br)Br)c1ccccc1 71769936 LZWBNLDBCJFZAX-MWLCHTKSSA-N 443.961 3.453 0 50 IGAA CCNc1cc(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)nc(C)n1 72441616 WJIVNKHEQNEYOV-UHFFFAOYSA-N 433.516 3.070 0 50 IGAA CC(C)c1nc(N2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)no1 82087641 SJEUQTXFSFAQJS-HXUWFJFHSA-N 425.577 3.233 0 50 IGAA O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 253396903 BHVXARYKSAECHO-RTWAWAEBSA-N 430.508 3.215 0 50 IGAA biogenic COc1ccc(N2C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C2=NC(=O)N3C)cc1 253471227 OFYBIZNUENRYNQ-JXFKEZNVSA-N 439.468 3.074 0 50 IGAA O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)N1CCN(c2ccncc2)CC1 299767804 URZDIDGRMBRQRF-HSZRJFAPSA-N 434.565 3.428 0 50 IGAA CCn1nc(C)c(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)c1C 1350295522 LZMMXWIZSSYKCA-UHFFFAOYSA-N 447.586 3.075 0 50 IGAA O=C(NCCC(=O)N1CC[C@@H](n2cc3ccccc3n2)C1)NC12CC3CC(CC(C3)C1)C2 1875258473 MDZIPKOXGOKTIJ-YVXFQLMNSA-N 435.572 3.468 0 50 IGAA Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCC[C@H](Cc2nnc3ccccn23)C1 1875261314 FZJMCAMEJAWJTE-LJQANCHMSA-N 444.539 3.009 0 50 IGAA CCOC(=O)c1nc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c2ccccn12 2325820456 XLXXKPCNCOKWAB-KOMQPUFPSA-N 433.917 3.389 0 50 IGAA COc1cc(Br)c(S(=O)(=O)NCc2conc2C(C)(C)C)cc1OC 2325825041 AWWBPFWXQZAHQZ-UHFFFAOYSA-N 433.324 3.230 0 50 IGAA C[C@@H](C(=O)N=[S@]1(=O)CCCN(c2cncc(Cl)n2)CC1)c1ccc(F)c(F)c1 2332238202 FQSABHUAHJULHF-YASQENCXSA-N 428.892 3.417 0 50 IGAA COc1ccccc1N1C(=O)C[C@H](SCC(=O)Nc2ccc(Br)cc2)C1=O 3082348 RHBYBACCKRIKCX-INIZCTEOSA-N 449.326 3.462 0 50 IGAA O=C(NC1CC1)c1cn(Cc2ccccc2)cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1=O 12282985 JWXATGWBNBWHGT-PMACEKPBSA-N 433.552 3.441 0 50 IGAA CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H](O)c1ccccc1 13576746 LCBKVJMDADCWJU-XZOQPEGZSA-N 437.517 3.201 0 50 IGAA COc1cc(CNCCc2cscn2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 14958317 CRPWSSWAVMRXGO-NRFANRHFSA-N 433.618 3.488 0 50 IGAA CSc1cccc(NC(=O)[C@@H]2C[C@H](n3cnnn3)CN2C2C3CC4CC(C3)CC2C4)c1 14962669 MJIWJTGLBQNEAW-DKLNVJEHSA-N 438.601 3.474 0 50 IGAA COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 15822768 YEDLKXZFOYMZKU-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C(C)=O)cc4)CC3)c2c1 20213145 MUGMKJDGCXSWPX-UHFFFAOYSA-N 447.535 3.314 0 50 IGAA O=C(C1CCN([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1)N1CCCCC1 100176611 PKIODWNMVSOAFL-SFHVURJKSA-N 437.462 3.062 0 50 IGAA COc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c(Cl)c1OC 104352880 FAHXAPQKVCRWHE-HXUWFJFHSA-N 440.028 3.099 0 50 IGAA Cn1cc([C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@@H]3C(=O)NC(=O)[C@H]32)c2ccccc21 238923638 PDJBKKIFEUERCR-BZSNNMDCSA-N 447.541 3.270 0 50 IGAA Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCCN21 245326872 MUMJPYAKIGAADK-ORQYLMBXSA-N 439.874 3.219 0 50 IGAA O=C(CC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263616764 KKQASXDMMJJNHD-QHCPKHFHSA-N 441.551 3.350 0 50 IGAA COc1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(OC)c1 263618406 SWPFAGHNPKKUHT-GOSISDBHSA-N 449.555 3.158 0 50 IGAA COc1cc(CN2CC[C@@H](NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)C2)cc(OC)c1 446598975 IHVHHOKWUXHPJP-GOSISDBHSA-N 449.555 3.176 0 50 IGAA C[C@H](CO)N1CCCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 470086324 ICABHTJUWCOFPC-DSBYRVASSA-N 449.595 3.082 0 50 IGAA CC(=O)Nc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)N2CC(=O)Nc3ccccc32)cc1 888088702 MPNXLZQFIIYCEF-IBGZPJMESA-N 437.500 3.167 0 50 IGAA Cn1ccn2ncc(C(=O)N3C[C@H](c4ccc5c(c4)OCO5)O[C@H](c4ccccc4)C3)c12 1857739917 YZKVKBQNPDHSTK-FCHUYYIVSA-N 430.464 3.357 0 50 IGAA CC(C)Oc1ccc(C(=O)N2CCC3(CC(NC(=O)c4nc(Cl)ccc4F)C3)C2)cn1 1875383506 WWQQWLAPXDTOHX-UHFFFAOYSA-N 446.910 3.481 0 50 IGAA C[C@@H](c1nc(-c2cccnc2)no1)N1CCN([C@@H](C)c2nc(-c3cccnc3)no2)CC1 2325728609 VEGYJAQHSHHMEI-HOTGVXAUSA-N 432.488 3.016 0 50 IGAA Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 8609381 IBGRQPVGRPZIDP-UHFFFAOYSA-N 441.484 3.326 0 50 IGAA CCOC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)Cc1ccccc1 9601954 MIEVDMREBROWDE-UHFFFAOYSA-N 425.510 3.387 0 50 IGAA CC(=O)N1CCC(N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)CC1 11933991 RUFCTCGOIPSUNP-MHZLTWQESA-N 439.644 3.358 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)N[C@H]2CCc3ccccc32)(c2ccccc2C)C1=O 12098437 JMPJLPZNUMUWRC-BKMJKUGQSA-N 434.536 3.222 0 50 IGAA Cn1c(=O)c2c(-c3ccc(Br)cc3)n(-c3ccccc3N)cc2n(C)c1=O 12428137 XZOUDYLXLAMKBI-UHFFFAOYSA-N 425.286 3.040 0 50 IGAA CC[C@@H]1CN(CCNC(=O)CCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 12454437 BJFLRWFONQLPFZ-LJQANCHMSA-N 426.513 3.146 0 50 IGAA COCc1c(C(=O)NCc2ccc(OC)cc2)cnn1-c1nccc(-c2cccs2)n1 14879838 XQRQGRKNYLDUTB-UHFFFAOYSA-N 435.509 3.476 0 50 IGAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCn1ccc2ccccc21 14887634 GBSVMHPAQSTBPO-RUZDIDTESA-N 433.508 3.158 0 50 IGAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCc4csc(C)n4)CC3)CC2)n1 19218466 ZKFCGKWWOKHURI-UHFFFAOYSA-N 427.618 3.148 0 50 IGAA COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1C 20455166 CFAZGBDMBIJCOF-UHFFFAOYSA-N 439.604 3.201 0 50 IGAA COc1cc(CN(C)Cc2nc3ccccc3[nH]2)ccc1OC[C@H](O)CN(C)C(C)C 53537567 NFYQEBWOQHGZQG-LJQANCHMSA-N 426.561 3.283 0 50 IGAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c1 65365562 YTECIOMXHKPSQE-KRWDZBQOSA-N 434.500 3.062 0 50 IGAA COc1ccc([C@H](NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)C(C)C)cc1OC 252570648 XBPHKMZVJKOMJZ-DYESRHJHSA-N 425.485 3.307 0 50 IGAA CC(C)[C@H]1[C@@H](C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)CCN1C(=O)OC(C)(C)C 390832878 LNUCBRHHZZNTOS-UXPWSPDFSA-N 442.560 3.183 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 409413603 CNERGUVGRNBIAY-FCEUIQTBSA-N 440.588 3.348 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409415052 SAHUXLQJUMGPKJ-UGKGYDQZSA-N 440.588 3.398 0 50 IGAA biogenic CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(Cc3ccccc3)CC2)C1 1857686084 HCJSFUBZUZPPHG-MVERNJQCSA-N 425.617 3.091 0 50 IGAA COC(=O)c1c(CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1C 1875257465 DCAMFJLHPVNAFD-MSOLQXFVSA-N 445.519 3.339 0 50 IGAA COc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)cc1 1115000 VRPRBSLSQIQDQB-OAHLLOKOSA-N 439.541 3.354 0 50 IGAA COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc(OC)c1OC 1794937 BSMBPFBSKIWBHC-OAQYLSRUSA-N 440.496 3.434 0 50 IGAA CCOc1ccccc1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21 9276314 WZSKXDKAEDZJRS-UHFFFAOYSA-N 441.553 3.141 0 50 IGAA CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccccc1Cl 12413254 RDLZXWCRQQTCFJ-QGZVFWFLSA-N 448.310 3.458 0 50 IGAA O=C(NC1CCCC1)c1cn(C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)nn1 12457098 IBSODEQGPUBURI-UHFFFAOYSA-N 433.915 3.149 0 50 IGAA Cc1ccsc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1 15067868 HAZZFPANCUZRHN-HSZRJFAPSA-N 448.633 3.197 0 50 IGAA CCOC(=O)[C@@](C)(CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C)c1ccccc1 170605688 MYYMKIFHQALILQ-BWKNWUBXSA-N 440.540 3.087 0 50 IGAA COc1ccc(C(=O)NC[C@@H](CO)CC2CCCCC2)cc1S(=O)(=O)NC(C)(C)C 170611744 GVPAEUHISUIEIP-KRWDZBQOSA-N 440.606 3.081 0 50 IGAA CC(C)c1noc([C@@]2(O)CCN(C(=O)c3nn(-c4ccccc4)c4c3CCCCC4)C2)n1 225532839 GOKPNWJUTUELCW-XMMPIXPASA-N 435.528 3.381 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 239165036 NIWXLWVLEUZYGR-NRULLWLTSA-N 435.705 3.094 0 50 IGAA CS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3Br)CC2)Cc2ccccc21 475823376 BJEURXRHVWWYLM-UHFFFAOYSA-N 449.370 3.289 0 50 IGAA Cc1sc2nc(-c3cccnc3)nc(N3CCN(c4ncccc4C(N)=O)CC3)c2c1C 1875252313 NROHADVEYQUAAW-UHFFFAOYSA-N 445.552 3.191 0 50 IGAA CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3c(C(N)=O)cnc(O)c3c1)O[C@H](C)C2 1875261299 FNNRAJPWPIXCTA-WXJAXGNASA-N 433.464 3.413 0 50 IGAA O=c1c(-c2nc(-c3nc[nH]n3)nn2[C@H]2CCCc3ccccc32)cccn1[C@H]1CCSC1 1875340467 CRWFYSHHLHISQO-LPHOPBHVSA-N 445.552 3.496 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(N3CCNC3=O)c2)(c2ccccc2)CC1 1875370587 UXCBGDACKOVFOU-IBGZPJMESA-N 446.551 3.140 0 50 IGAA Cc1cc(I)ccc1NC(=S)NC(=O)c1c(Cl)cnn1C 650630 PKWNXYSDHGCWOP-UHFFFAOYSA-N 434.690 3.113 0 50 IGAA CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)Nc4ccccc4)CC3)cc21 795280 LKXUOBKQXAYQOV-UHFFFAOYSA-N 438.459 3.213 0 50 IGAA COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 947829 OWBAIJHXJULMDF-FQEVSTJZSA-N 442.562 3.189 0 50 IGAA biogenic,in-vitro Cc1cc(C)c2oc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 8612337 DYGSJKOALGBGHG-GOSISDBHSA-N 443.496 3.378 0 50 IGAA Cc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(Br)c1 12404216 KBGIGUXTXVNQSJ-UHFFFAOYSA-N 433.302 3.247 0 50 IGAA COCc1c(C(=O)NCCc2ccccc2)cnn1-c1nccc(-c2ccccc2OC)n1 15067473 JRDTZVJRIOFLKK-UHFFFAOYSA-N 443.507 3.457 0 50 IGAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(C(F)(F)F)ccc2F)cc1 20905971 PMRGSMXOHLJZQO-LJQANCHMSA-N 437.437 3.160 0 50 IGAA O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 115619896 VRFMWZBYDIDMFL-QGZVFWFLSA-N 448.527 3.186 0 50 IGAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](CN(C)C)c3ccccc3)cc2)C1 240569331 GZQCLGVCFDRLAR-XMSQKQJNSA-N 429.586 3.140 0 50 IGAA CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253429120 SGJZEQWBGCVAEK-QGZVFWFLSA-N 443.352 3.042 0 50 IGAA C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C1=O 836797844 CFUPQDTTYPYTGX-VWLOTQADSA-N 428.492 3.251 0 50 IGAA CC1(C)CC[C@H](C(=O)N[C@H]2CCOC3(CCS(=O)(=NC(=O)C45CC(C4)C5)CC3)C2)C1 2332238288 KDPKGDJEBJINGL-WJIPVOGJSA-N 436.618 3.435 0 50 IGAA COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1 887003 RMVRLZXTBOFUKS-UHFFFAOYSA-N 441.509 3.241 0 50 IGAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1OC 1166063 VVCZJTICMGHIIA-ZWOKBUDYSA-N 438.402 3.116 0 50 IGAA COc1ccc(OC)c2c(C)cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc12 6174335 IQBZYOIIDGJABF-UHFFFAOYSA-N 441.553 3.380 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 11957785 VLSQWANASOMQAB-QFIPXVFZSA-N 433.936 3.101 0 50 IGAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12072596 LDKWFUDMMPKWAL-JOCHJYFZSA-N 434.515 3.168 0 50 IGAA O=C(c1cnn2cccnc12)N(Cc1ccncc1)Cc1cccc(O[C@H]2CCOC2)c1 12217422 GQKMKGUJVZIMOT-NRFANRHFSA-N 429.480 3.135 0 50 IGAA Cc1cc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)cc(C)c1Cl 20352287 IYDZREXXCDHOIZ-UHFFFAOYSA-N 434.924 3.313 0 50 IGAA COc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)NC[C@H]2CCCO2)cc1OC 33932248 NNUVRORHIJKYAL-LSCADSNKSA-N 444.915 3.423 0 50 IGAA Cc1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1N(C)S(=O)(=O)c1ccccc1 65363072 DEWOWPHFQFGBMO-UHFFFAOYSA-N 435.505 3.419 0 50 IGAA CCOc1ccccc1NC(=O)CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O 169780807 ONEKDIWDPPQWMB-FQEVSTJZSA-N 441.871 3.255 0 50 IGAA CCOC(=O)[C@](C)(CNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C)c1ccccc1 170605689 MYYMKIFHQALILQ-PXDATVDWSA-N 440.540 3.087 0 50 IGAA O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4N=NN(c5ccc(Br)cc5)[C@@H]34)[C@H]2C(=O)N1c1ccccn1 238899734 HDCGBPKOWHLDLJ-RVGSUECLSA-N 438.285 3.224 0 50 IGAA COc1cc2c3c(c1)C(CN1CCN(c4ccccc4OC)CC1)=CC(C)(C)N3C(=O)C2=O 334161136 USDCTJRMZLONCI-UHFFFAOYSA-N 447.535 3.231 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCn4c(O)nnc4C3)c12 438446895 NJNHRIGHOWRLDJ-UHFFFAOYSA-N 444.373 3.170 0 50 IGAA O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CCC(O)(c2ccccc2Cl)CC1 765534823 BPEUTJZWOHCNMG-GOSISDBHSA-N 449.885 3.417 0 50 IGAA COC(=O)c1ccc(/C=C/C(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1 1875258083 HBAHVDJADGUANG-RUDMXATFSA-N 431.492 3.473 0 50 IGAA Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCc2c(-c3ccccc3)cccc21 1875260730 GKXXIJNHTKHUOK-UHFFFAOYSA-N 425.510 3.216 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)NC(=O)Cc3cccc(Br)c3)cc2)co1 1875261765 ARFCQNZSHFJGOJ-UHFFFAOYSA-N 435.299 3.460 0 50 IGAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197986 GFPVAOKUZJJFCE-WIOPSUGQSA-N 433.508 3.173 0 50 IGAA COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 1133103 PTSYCHMXXOHBQE-UHFFFAOYSA-N 439.541 3.101 0 50 IGAA CCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCCc2ccccc2)cc1 4691029 QPIIMZZWVIHUQS-FQEVSTJZSA-N 425.554 3.474 0 50 IGAA Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1n[nH]cc1I 9703092 ZSKHTGPCFHFCCU-UHFFFAOYSA-N 439.232 3.267 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nc(C)sc3C)cc2)CC1 11934028 WUJJBHOPWIYDJO-CQSZACIVSA-N 431.558 3.267 0 50 IGAA CCc1cc(C(=O)NCc2cc(NC(=O)c3ccccc3F)cc(C(=O)OC)c2)n(C)n1 12127329 IVRREWKPTCPBIO-UHFFFAOYSA-N 438.459 3.091 0 50 IGAA CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 12382269 YJCPQXOFKPKJKS-INIZCTEOSA-N 443.931 3.483 0 50 IGAA O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cc(C(=O)O)cc(C(=O)O)c1 13341876 ASSMKHRUOZTGDO-UHFFFAOYSA-N 429.479 3.307 0 50 IGAA O=C(NC[C@@H]1CCCO1)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14753372 IVRVLRVKLLZKTP-MZKRTTBSSA-N 439.531 3.198 0 50 IGAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 14886610 HXSJKOWKWWVJBX-STIKNRRDSA-N 445.995 3.266 0 50 IGAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c(OC)c1OC 22018312 VQFDWMBORORTDE-QFBILLFUSA-N 437.521 3.267 0 50 IGAA O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)SC[C@@H]2N1 253410025 MSZOZNMULIEBGL-DMUMMCEESA-N 427.574 3.342 0 50 IGAA biogenic O=C(CCCCc1cccnc1)N1CCC2(CC1)CN(Cc1nccs1)C(=O)CCO2 1857710273 OLBJOFFCFGSDRW-UHFFFAOYSA-N 442.585 3.061 0 50 IGAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)ccc1O 641458 IAFGHSJJAGUNAI-FQEVSTJZSA-N 443.525 3.240 0 50 IGAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC 899768 AHAVSUBVKGRNKU-UHFFFAOYSA-N 440.521 3.004 0 50 IGAA O=C1N(c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 8768126 YKCOBHAFBJCQHI-HZPDHXFCSA-N 425.279 3.200 0 50 IGAA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 9010436 YSKFCPWHZYMGTO-UHFFFAOYSA-N 429.904 3.422 0 50 IGAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 11662704 WFURYAAQCULXPC-HXUWFJFHSA-N 427.589 3.221 0 50 IGAA COc1cc(CN(C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12595154 WKHVKHPPQHZWPR-QHCPKHFHSA-N 444.620 3.373 0 50 IGAA O=C(CSc1nc2ccc(I)cc2c(=O)[nH]1)Nc1ccccc1 16399726 KOXRZCUBTWPZOK-UHFFFAOYSA-N 437.262 3.259 0 50 IGAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 18156631 KVICWFDVPRKYGH-UHFFFAOYSA-N 447.513 3.222 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NC2C3CC4CC(C3)CC2C4)CN1Cc1ccccc1Cl 19800042 MJJMIOMJFHRERP-ZJIFGNEKSA-N 446.035 3.460 0 50 IGAA Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cccc1N(C)S(C)(=O)=O 67612818 QYCHGCSKYHQSQP-UHFFFAOYSA-N 429.542 3.269 0 50 IGAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(Cc1ccccc1)Cc1scnc1C 67833342 FSEKJRYNJZNRNW-HXUWFJFHSA-N 426.586 3.137 0 50 IGAA C[C@H]1CN(c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)C[C@@H](C)O1 229832561 NMXWROZLTYVJFJ-NMNFXAFOSA-N 440.588 3.333 0 50 IGAA Cn1c([C@@H]2CCCCN2C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 253404040 HPXLZEMJUJSBGD-CTNGQTDRSA-N 445.523 3.158 0 50 IGAA biogenic O=C(Cn1cccn1)NC[C@@H](NC(=O)c1cncc2[nH]ccc12)c1ccc2ccccc2c1 1875360651 KXMBJKCBNFSDHD-JOCHJYFZSA-N 438.491 3.200 0 50 IGAA COC(=O)c1ccc(Oc2nc(Nc3ccc(F)cc3F)nc(N3CCOCC3)n2)cc1 1419192 PGEGIXXMOWBZSR-UHFFFAOYSA-N 443.410 3.309 0 50 IGAA COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 2946572 ZLRJWVRWMNBYNH-UHFFFAOYSA-N 445.368 3.337 0 50 IGAA CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1 4196556 RYVQRYUXUQZUPT-UHFFFAOYSA-N 435.981 3.075 0 50 IGAA CCn1c(=O)n(-c2ccc3c(c2)OCO3)c2nc(-c3ccc(C(C)C)cc3)nc(C(N)=O)c21 8598955 POHDTJAEAKTBTC-UHFFFAOYSA-N 445.479 3.220 0 50 IGAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 12596113 OYWQYNNWHCBJSJ-VXFXUCHBSA-N 425.529 3.308 0 50 IGAA CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)CCc1ccccn1)CC2 14732918 XJQVOWGCQCWHJV-UHFFFAOYSA-N 448.523 3.029 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 15065412 RODKYDHJIMIOLR-XMMPIXPASA-N 449.595 3.429 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc(Cl)cc3)CC2)cc1C 17101852 IKGGTZPQSPVDGK-UHFFFAOYSA-N 438.018 3.338 0 50 IGAA CCc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(F)cc1 40391760 KUOWZDZRVRFUQA-UHFFFAOYSA-N 428.427 3.192 0 50 IGAA Cc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)s1 55133411 GPDWQCYTRGWVEL-QGZVFWFLSA-N 425.476 3.082 0 50 IGAA COc1ccc(CCNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)[C@H](C)CC4)cc1OC 100663107 DWYJUBJMEBUPKT-CYBMUJFWSA-N 440.471 3.343 0 50 IGAA CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 169693802 DDFQFNJRRUYFJF-HCUGBHTRSA-N 434.330 3.491 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1OC 169775811 LGEXDBDMNSCCOJ-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA CCOCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 170593374 DDUOTOQNPKEJGE-UHFFFAOYSA-N 444.303 3.363 0 50 IGAA N=C1C(c2nc(-c3ccc(Br)cc3)cs2)=C(O)CN1CCN1CCOCC1 252570643 XBDBCCZJVBZFFK-UHFFFAOYSA-N 449.374 3.467 0 50 IGAA CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c[nH]c2c1 263585552 JYPBLKIHIMJNOK-CKNGIIGNSA-N 448.523 3.169 0 50 IGAA biogenic Cc1cccc(S(=O)(=O)CCCN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)c1 463427343 GCPDWIQDRFWUFW-GOSISDBHSA-N 426.947 3.341 0 50 IGAA COc1ccc(NC(=S)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cn1 726906352 SBFUNCFQNSYYQY-KRWDZBQOSA-N 440.491 3.469 0 50 IGAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3C[C@@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)c12 888088485 BSEVFPJBGSQGED-JLMWRMLUSA-N 443.551 3.417 0 50 IGAA C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cnc(-c3cnccn3)s2)C1 1875256906 SMZMNTXHIQPFCS-JKSUJKDBSA-N 429.546 3.463 0 50 IGAA C[C@@H](Cn1cnnc1)NC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1875261940 QUHQOYPSDSYTDI-PGRDOPGGSA-N 438.963 3.437 0 50 IGAA CC1(C)CC(Nc2ncc(Br)cc2S(=O)(=O)NC[C@H](CO)C(C)(C)C)C1 1875350368 JTHJPSJVEYOSLJ-GFCCVEGCSA-N 448.427 3.378 0 50 IGAA CCN(Cc1cn([C@H](Cc2ccc(Cl)cc2)C(=O)O)nn1)C(=O)CC1(OC)CCC1 1875356724 VSSOZBHKUQCHPF-GOSISDBHSA-N 434.924 3.108 0 50 IGAA CCOc1cccc(Cc2noc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)n1 2325737521 UNENRMXTUXSSBI-UHFFFAOYSA-N 440.481 3.193 0 50 IGAA NS(=O)(=O)c1cc(F)cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c1Br 2325741446 JOGRIDKYETZYOD-AWEZNQCLSA-N 445.285 3.182 0 50 IGAA C[C@@H](C(=O)N=[S@@]1(=O)CCCN(c2cncc(Cl)n2)CC1)c1ccc(F)c(F)c1 2332238199 FQSABHUAHJULHF-BODITIBLSA-N 428.892 3.417 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 692051 FYBZCFNBTZTAQS-KRWDZBQOSA-N 429.542 3.017 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1C 786170 PVFTXYAAOYNZQD-UHFFFAOYSA-N 436.599 3.006 0 50 IGAA CCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cc1 1052032 CZUOWHVERHAASU-UHFFFAOYSA-N 426.498 3.491 0 50 IGAA COCc1c(C(=O)NCc2cccc(C)n2)cnn1-c1nccc(-c2ccccc2F)n1 11912650 WEBZYHKTNASOJX-UHFFFAOYSA-N 432.459 3.248 0 50 IGAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN(c3ccccn3)CC2)c1C 12218423 VRIBXCTZGSBIKB-UHFFFAOYSA-N 446.551 3.074 0 50 IGAA COCCn1c(CN(C)Cc2nc(C)cs2)cnc1S(=O)(=O)C1CCCCCC1 12305352 JATYFNSFYCRKTF-UHFFFAOYSA-N 440.635 3.423 0 50 IGAA CN(C[C@H](O)COc1ccc(OC[C@H](O)CN(C)c2ccccc2)cc1)c1ccccc1 13575269 KVPLOYFYOOGJGC-PSWAGMNNSA-N 436.552 3.439 0 50 IGAA CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 19858066 OQBQRPQBDKAKHS-UHFFFAOYSA-N 447.866 3.467 0 50 IGAA CCn1ccc(-c2cc(C(=O)OC)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)n1 20604174 GEWQVFRARJQKOY-UHFFFAOYSA-N 437.481 3.122 0 50 IGAA COCc1nn2c(nnc3c(=O)n(Cc4ccc(OC)cc4)ccc32)c1-c1ccc(F)cc1 40392122 DPVYYJLGVGUMBZ-UHFFFAOYSA-N 445.454 3.449 0 50 IGAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 67724406 SIHWKKJZUQVJLM-QFIPXVFZSA-N 433.531 3.438 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 239231222 VDVLSQODWKNBDX-BTHOMQSPSA-N 449.732 3.484 0 50 IGAA O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239347357 MTXMAXMAULKZDK-HXWZHSPTSA-N 430.479 3.429 0 50 IGAA CN1C(=O)N(CC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)C(=O)C12CCCCC2 499962621 KWQMSYHJSZTNPA-KRWDZBQOSA-N 435.471 3.379 0 50 IGAA CN(C)C(=O)[C@@H]1CC[C@H](Cn2c(-c3cnccn3)cs/c2=N\c2ccc(F)cc2F)O1 1875255762 BFAIOMGQECLLFL-SKMYMIJTSA-N 445.495 3.153 0 50 IGAA Cn1cc(NC(=O)c2csc(-c3cnn(-c4ccccc4)n3)n2)c(-c2ccccn2)n1 1875261964 GGHNQQZLCPQFDO-UHFFFAOYSA-N 428.481 3.439 0 50 IGAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(Br)cc1 2979617 JHDXIPGOEOZFBX-UHFFFAOYSA-N 431.739 3.185 0 50 IGAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN=C1c1ccccc1 4163267 DZHDHAJSPBXVPP-FKBYEOEOSA-N 429.520 3.062 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 6013455 WXIMCVYJDICSJO-UHFFFAOYSA-N 439.537 3.219 0 50 IGAA COC(=O)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(=O)OC)cc2)cc1 8398558 LHGLSJWYQRHIIP-UHFFFAOYSA-N 426.469 3.061 0 50 IGAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)c1 11843468 FTHUNERPBAZVQC-SFHVURJKSA-N 438.572 3.256 0 50 IGAA O=C(CSc1ccccc1)Nc1cnn(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)c1 12246959 MWFNNKYNPJYPOP-IBGZPJMESA-N 449.458 3.429 0 50 IGAA COCCCC1CCN(Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)CC1 12297493 LDMWFDNCKVNBNZ-CALCHBBNSA-N 434.606 3.284 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 12374515 KMVDGLCFSARJAA-RQXXJAGISA-N 442.302 3.425 0 50 IGAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)cc1 12466344 MBCGJBDEDNSMBM-JOCHJYFZSA-N 432.568 3.376 0 50 IGAA COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CCc2c(C)n[nH]c2C)CCO3)C1 15070695 OGCITWRVCYKFND-OAQYLSRUSA-N 440.588 3.239 0 50 IGAA CCn1c(CNC(=O)c2ccc(F)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 16361438 QDIHBGYSTGHNNJ-YOEHRIQHSA-N 433.553 3.154 0 50 IGAA CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)s1 20453495 WBCYDNHQJLDDQT-ZDUSSCGKSA-N 427.935 3.039 0 50 IGAA CCCN1CCN(C(=O)c2c(COC)n(CCCc3ccccc3)c(C)cc2=O)CC1 64120794 PXDYAJSNFQEYQT-UHFFFAOYSA-N 425.573 3.104 0 50 IGAA CCOCc1cnc(C)nc1NC(=O)c1nnn(-c2ccccc2F)c1-c1ccncc1 206646747 MSOHPAOAMUGZPP-UHFFFAOYSA-N 433.447 3.356 0 50 IGAA COC(=O)[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 215834735 HUTSFSBINUYSEU-NZQKXSOJSA-N 438.524 3.185 0 50 IGAA CCN(C(=O)CN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 248234475 DBXBRKMXIWGCOG-ROUUACIJSA-N 432.508 3.268 0 50 IGAA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254399114 DDNFNZMFXRMHIQ-UHXZJVTMSA-N 432.557 3.290 0 50 IGAA C[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccc(OCC2CC2)c(F)c1 468713862 IIKXWTYQVGVQPS-HNNXBMFYSA-N 447.532 3.053 0 50 IGAA NS(=O)(=O)c1ccc(C/N=c2/scc(-c3cccc(F)c3)n2[C@H]2CCCOC2)cc1 1875256207 KBRANYXVBIMOMM-QAYQYMSWSA-N 447.557 3.456 0 50 IGAA O=C(NC1C[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc34)C[C@H]2C1)c1cc[nH]n1 1875360343 GDPXECSPSGXRFF-IAGOWNOFSA-N 425.496 3.060 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)(c2cccc(F)c2)C1=O 11782375 WXSBYQCFCYZNON-CPJLOUKISA-N 449.482 3.390 0 50 IGAA O=C(CCn1c(CO)nc2ccccc21)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 11819397 PTGYBHKEOCKVSB-LJQANCHMSA-N 426.948 3.353 0 50 IGAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC 12072771 HABHMJWZKNFKIZ-LJQANCHMSA-N 445.604 3.115 0 50 IGAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN1CCC[C@@H](CO)C1 14972006 FMBFTDRIBYNWDX-OAHLLOKOSA-N 428.920 3.455 0 50 IGAA C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 14987263 HJDNDSLUUJQPRS-SFHVURJKSA-N 449.555 3.200 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@H]1C(=O)N2c1ccc(F)c(F)c1 14997914 HRNLLUMXGHVDMS-AVRDEDQJSA-N 436.462 3.326 0 50 IGAA O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 16345335 NWUOOAYCXGGZKR-UHFFFAOYSA-N 448.500 3.432 0 50 IGAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc2c(c1)OCO2 39393740 MGTUTWHRNCGJJN-NHCUHLMSSA-N 447.535 3.039 0 50 IGAA COCc1nn2c(nnc3c(=O)n(Cc4ccc(OC)cc4)ccc32)c1-c1ccccc1 40391139 OZQMHDQSAHBHAO-UHFFFAOYSA-N 427.464 3.310 0 50 IGAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c(OC)c1OC 55060476 UGUSTDIJCNGEDP-HXUWFJFHSA-N 439.556 3.139 0 50 IGAA O=C1c2ccccc2C(=O)N1CCc1nnc2n1-c1ccccc1C(c1ccccc1)=NC2 71770451 ZCAAXXILVYGMRZ-UHFFFAOYSA-N 433.471 3.457 0 50 IGAA CC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100563809 SCWKJNHVCPSDBA-FUHWJXTLSA-N 426.270 3.081 0 50 IGAA COc1cccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)c1OC 169775781 JVKOJEVPTCRZNH-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[C@@H](n2cc(C(=O)NC(C)C)nn2)CC1 243885817 ACMNCUJJDGPOHP-HDICACEKSA-N 436.516 3.293 0 50 IGAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]12C 257349667 QAQQLQSWRWRRJU-RWYATLGGSA-N 448.556 3.471 0 50 IGAA O=C(Cc1ccccc1Br)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 263617701 PEDOWYROKYHNBG-UHFFFAOYSA-N 441.329 3.272 0 50 IGAA O=C(NCc1cccc(Br)c1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263617708 PGGWTOKPNQSQBH-QGZVFWFLSA-N 431.265 3.381 0 50 IGAA CC[C@@H](C)CC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2OC)CC1 299770205 NVNWLGQVLLUTEO-IRLDBZIGSA-N 441.616 3.404 0 50 IGAA O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCN(C[C@H]2CCOC2)CC1 488793623 CJCPMPQEJRLAIZ-CQSZACIVSA-N 437.327 3.370 0 50 IGAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)NCCOc1ccc(Cl)cc1)C=C2 888090646 MJDBAWFCFXHTJC-UHFFFAOYSA-N 444.915 3.298 0 50 IGAA CCN(Cc1cn(C)nn1)C(=O)c1cccc(Cn2cc(-c3cccc(Cl)c3)nn2)c1 1875336516 GXNJMRZNEUDZLL-UHFFFAOYSA-N 435.919 3.438 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C2CCCCC2)cc1 1018499 SDOKMYRTPQACSJ-UHFFFAOYSA-N 429.542 3.056 0 50 IGAA COc1cccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)c1 1209223 PYZKJUDHBFUFPJ-MRXNPFEDSA-N 449.326 3.462 0 50 IGAA CCn1cc(CNCc2ccc(OC[C@H](O)CN(C)C3CCCCC3)c(OC)c2)cn1 12056863 FYXHLLARMYNRDY-JOCHJYFZSA-N 430.593 3.206 0 50 IGAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(Cc4ccccn4)C3)c2)n1 12448042 DPKWALFCYUOKSU-OAQYLSRUSA-N 431.540 3.281 0 50 IGAA COc1ccc(CN(C)Cc2ccon2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 14981345 ACZAKFCSSSVARA-QFIPXVFZSA-N 425.529 3.187 0 50 IGAA CCCCOc1ccccc1/C=c1\sc2nc([C@H]3COc4ccccc4O3)nn2c1=O 16213094 ACZLHPMWLQDTPF-PQDCBLBRSA-N 435.505 3.390 0 50 IGAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@@H](C)Cn3ccc(C(F)(F)F)n3)c2n1 20601995 XBTUYZYPSKNUFN-JTQLQIEISA-N 448.371 3.487 0 50 IGAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 55308814 CKISHJRMPJXBMA-JOCHJYFZSA-N 425.504 3.039 0 50 IGAA O=C1c2cccc(N3CCN(Cc4ccc(F)cc4F)CC3)c2C(=O)N1C[C@H]1CCCO1 64103145 WWTYHEYCSKCMAG-GOSISDBHSA-N 441.478 3.062 0 50 IGAA CCOc1ccc(N2C(=O)C[C@H](N3CCC(NC(=O)Nc4ccccc4)CC3)C2=O)cc1 95483187 WQWDKVAAXRGMOR-NRFANRHFSA-N 436.512 3.003 0 50 IGAA COc1cccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)c1 169754947 QMFKRTBTNQQYTK-UHFFFAOYSA-N 430.302 3.372 0 50 IGAA COc1ccccc1C(=O)N1[C@H](CC(=O)Nc2ccccc2C)C(=O)N[C@@H]2CCCC[C@H]21 239302474 FIGDOCNLWXUSOK-NJDAHSKKSA-N 435.524 3.284 0 50 IGAA Cc1cccn2cc(-c3cccc(NC(=O)N=c4ccn(CCCC(=O)N(C)C)[nH]4)c3)nc12 1875350812 BASLPYSOHAOREB-UHFFFAOYSA-N 445.527 3.441 0 50 IGAA CCc1c(-c2csc(N3CCNC[C@H]3C(=O)NCC3CC(C)C3)n2)[nH]c(C)c1C(C)=O 2332239496 ZAAIMEGZRGMBSZ-ZVYVSMAVSA-N 443.617 3.152 0 50 IGAA Cc1ccc(CN(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1 920759 VDAHKONWHCYYRE-IBGZPJMESA-N 436.961 3.135 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(Cc1c(C)nc3sccn13)CC2 14533977 ZWMZRAUWRBCDDZ-UHFFFAOYSA-N 436.541 3.079 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 14889554 HSGKXJIZZHHFAS-YKSBVNFPSA-N 434.625 3.236 0 50 IGAA CCOc1ccccc1CN1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1 23337418 SMKXUACUFKKAHB-QFIPXVFZSA-N 437.544 3.455 0 50 IGAA O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CC(=O)N(C2CC2)C1 225741325 RXFJSHSCGGVMAK-UHFFFAOYSA-N 447.442 3.419 0 50 IGAA Cc1ccc([C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)[C@H](C)S(C)(=O)=O)cc1 241124211 JGLDUGMXUNUHLW-HRAATJIYSA-N 426.542 3.376 0 50 IGAA C[S@](=O)c1ccc(C(=O)O[C@H]2CCCC[C@H]2OC(=O)c2ccc([S@](C)=O)cc2)cc1 252502979 UWHJCVZOGAXNFA-CIGLBZRHSA-N 448.562 3.486 0 50 IGAA Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)n[nH]2)c1 436189476 UFRVNEBMXWOPGY-UHFFFAOYSA-N 426.473 3.160 0 50 IGAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H](NC(=O)c4cc5ccccc5o4)C3)ccc2N1C 446621792 XPKIKBMPSFJIRB-YJBOKZPZSA-N 446.507 3.244 0 50 IGAA COc1ccccc1/C=C(/C(=O)N1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 778326737 QRTJHFBNQKJYDT-VZQSHRDHSA-N 436.552 3.186 0 50 IGAA O=C(NCC1(n2cc(Br)cn2)CC1)c1cccn2cc(C(F)(F)F)nc12 1303399563 RIAKWOJLJKJJAH-UHFFFAOYSA-N 428.212 3.231 0 50 IGAA CC[C@H](C)c1ccc(-c2csc(NC(=O)CN3Cc4nc(O)nc(O)c4C3)n2)cc1 2325866287 GVEWUPYVJQJFAP-LBPRGKRZSA-N 425.514 3.479 0 50 IGAA CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccncc1 1077443 QWJKKUPKEABLPI-UHFFFAOYSA-N 426.502 3.058 0 50 IGAA COc1cc(-c2n[nH]cc2CN2CCC([C@H](C)N3CCOCC3)CC2)cc(OC)c1OC 12447453 GACIKYIPLDDIFT-KRWDZBQOSA-N 444.576 3.035 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1cccc(OC)c1 12462766 SULIHANPOAPQBY-UHFFFAOYSA-N 445.475 3.008 0 50 IGAA CCC[C@@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 15068969 MFMJSAISMJCGFH-YKSBVNFPSA-N 430.593 3.375 0 50 IGAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCCN2CCOCC2)cc1 33397027 WXJDNAZUIHSNBZ-OQKWZONESA-N 441.959 3.258 0 50 IGAA COc1ccc(C(=O)Nn2ccc3c(cnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 40396322 FUNVTDWCMCFUAY-UHFFFAOYSA-N 425.448 3.412 0 50 IGAA O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@H]1CCCc2cc(OC(F)F)ccc21 475716551 QSCZMMOGVMUXCH-IBGZPJMESA-N 435.475 3.016 0 50 IGAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCC(C)(C)N5[O] 1772491707 XFSSIDMMBOJNER-NLJGXWHYSA-N 434.597 3.473 0 50 IGAA Cc1cc(F)c(S(=O)(=O)N=[S@@]2(=O)CCCN(C(=O)[C@@H]3CCC3(C)C)CC2)cc1F 2332238729 JNTKNAFWXPZGRI-HJFSHJIFSA-N 448.557 3.098 0 50 IGAA CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 1123739 GJGCADOOMXERAZ-FQEVSTJZSA-N 427.432 3.034 0 50 IGAA O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)N1CCN(c2ncccn2)CC1 2772273 XXUFXCOPTJPFIX-UHFFFAOYSA-N 439.475 3.383 0 50 IGAA CCn1ncc(Cl)c1C(=O)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2 2779897 JQCBTRIMDFUROK-UHFFFAOYSA-N 426.951 3.410 0 50 IGAA OCCOc1cccc(CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)c1 12281032 NXNMOUBPTJCYBR-OAQYLSRUSA-N 442.629 3.415 0 50 IGAA CCCCN(C)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 14977017 PIWMIOJKCDYJNQ-IBGZPJMESA-N 434.540 3.353 0 50 IGAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 14985019 KYLPBXWSYLHHQO-UHFFFAOYSA-N 425.510 3.416 0 50 IGAA CCc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3nonc3C)C4=O)CC2)cc1 200582519 JKNFUCQNJJQFCX-UHFFFAOYSA-N 445.523 3.059 0 50 IGAA CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3S[C@@H](C)C(N)=O)CC2)cc1 225749197 NKYZGKFZMLDPKR-KRWDZBQOSA-N 439.581 3.374 0 50 IGAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2)C(C)C)cc1 627615 JAWMRJQIEPUDBW-NRFANRHFSA-N 429.494 3.318 0 50 IGAA biogenic CCc1c(O)nc(SCC(=O)Nc2nnc(CC(C)C)s2)n(-c2ccccc2)c1=O 10034988 RYLLVOPICVHDRX-UHFFFAOYSA-N 445.570 3.281 0 50 IGAA COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccccn2)cc1 11839809 SPRHOIBKQCBDFO-UHFFFAOYSA-N 428.510 3.499 0 50 IGAA COc1ccc(C2(CNC(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)CCCC2)cc1 11937168 XEEYWVRMLMELDZ-HXUWFJFHSA-N 435.568 3.500 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 14988899 GBMWQKUSEJXJMT-UHFFFAOYSA-N 431.577 3.354 0 50 IGAA O=C(NCCc1cccnc1)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2 169760316 QZWNSNRXSKQJJV-IBGZPJMESA-N 427.302 3.285 0 50 IGAA O=C(c1cccc(Cl)c1F)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593340 MBAWPIMSUUTDDS-HXUWFJFHSA-N 429.923 3.428 0 50 IGAA Cc1nc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)nn1-c1ccccc1C(C)C 170601444 SPJMWKZMHKXNQA-AREMUKBSSA-N 447.583 3.408 0 50 IGAA CC[C@H](C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)O)C(C)C 253488036 VUXYGWVIHPLBTM-UDTPNQRGSA-N 446.548 3.469 0 50 IGAA Cc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)n2)cc1 263617683 PBENODFMWUMPST-UHFFFAOYSA-N 431.427 3.201 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)NC[C@H]2CC23CCCCC3)(c2ccccc2)C1=O 299779520 UKXLLFLYZWUNDA-CJFMBICVSA-N 426.557 3.197 0 50 IGAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 756020102 VTUMQHQMNUXCAL-OAQYLSRUSA-N 427.451 3.343 0 50 IGAA CC(C)N1CC[C@H](C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 1327420594 DMIXHEMFCNJHIK-FJIJXJHWSA-N 449.599 3.209 0 50 IGAA CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 1470145960 GAOVKYXJGDRRBQ-JPYJTQIMSA-N 441.915 3.387 0 50 IGAA O=C([C@@H](O)CNCC1CCCCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308530 JWELHTDUYPCLGC-VWLOTQADSA-N 433.596 3.431 0 50 IGAA COc1ccc2c(c1)C(=O)N(CC(=O)N1c3ccccc3CCc3ccccc31)S2(=O)=O 2325724057 LXTYJPQTMQUWGT-UHFFFAOYSA-N 448.500 3.303 0 50 IGAA O=C(Cn1nnc(-c2ccccc2)n1)N1NC(=S)SC=C1c1ccc(Cl)cc1 639511 BSQLVKCDWVGMFT-UHFFFAOYSA-N 428.930 3.357 0 50 IGAA Cc1cc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)ccc1Br 1065663 QUEKHOKPOUEOSF-UHFFFAOYSA-N 425.348 3.148 0 50 IGAA CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12C(=O)Nc1ccc(CC)cc12 1075256 KWGOFDLXIYAVKZ-VWLOTQADSA-N 444.491 3.107 0 50 IGAA O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1ccccc1F 1115426 ACXQMGLHARMJAO-UHFFFAOYSA-N 447.513 3.222 0 50 IGAA CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 8829097 IGCAJRSSHQTDQO-UHFFFAOYSA-N 428.558 3.402 0 50 IGAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(S(=O)(=O)c2cccs2)C3)n1 11839622 WCZQWXKWFATBPX-UHFFFAOYSA-N 432.523 3.411 0 50 IGAA C[C@H]1CN(CCC(=O)NCC2(N3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 12099246 RIHLYNIGOXVKLM-SFHVURJKSA-N 435.996 3.074 0 50 IGAA COc1cc(CN2C(=O)CC[C@H]2CCNCCOc2ccc(F)cc2)cc(OC)c1OC 12338192 BVTOQLLDSLOHQR-IBGZPJMESA-N 446.519 3.401 0 50 IGAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CCC(=O)N(CCc4ccccn4)C3)c2)n1 12447979 RZEIGHKETLVLPK-QFIPXVFZSA-N 445.567 3.324 0 50 IGAA Cn1c(SC[C@H]2CCCO2)nnc1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 15069932 XGAOXAGXPYFUJL-GOSISDBHSA-N 430.574 3.237 0 50 IGAA COc1ccccc1OCc1ccc(-c2nnc(S)n2CCCN2CCOCC2)o1 20028590 GRUVAYIWDZGYBW-UHFFFAOYSA-N 430.530 3.137 0 50 IGAA Cc1ncc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)s1 20541066 CPAPAOHOHMZNND-UHFFFAOYSA-N 425.514 3.466 0 50 IGAA C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 229383638 FBGGSYIIUULKIN-IIBYNOLFSA-N 426.513 3.414 0 50 IGAA CC(C)n1c(CCNC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)nc2ccccc21 252539670 OHNQQZUMMVUFMZ-HXUWFJFHSA-N 447.539 3.034 0 50 IGAA COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@]3(CC=C(C)C)C(=O)NCCc2cnc[nH]2)cc1 1704305113 ULWDUTFWVGXRLV-KJWPAHLWSA-N 436.556 3.497 0 50 IGAA Cc1nc([C@@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1 1875260080 PJAWRJAZFIKEFX-DYVFJYSZSA-N 435.406 3.250 0 50 IGAA Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1C(=O)Nc1ccc2ncnc(O)c2c1 2325740412 JZQYNKJNOWNZIR-UHFFFAOYSA-N 426.376 3.158 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 625951 DKCQYVXOGBSUNP-NRFANRHFSA-N 428.444 3.319 0 50 IGAA COc1ccc(C)cc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 972344 DDDNQIQHNKYZTD-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 1059846 LARXSPFVHNXHLX-CYBMUJFWSA-N 443.504 3.185 0 50 IGAA COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1cccc(Br)c1 1102591 OQXRCHJEJRQYBP-HNNXBMFYSA-N 436.302 3.141 0 50 IGAA COc1ccc(OC)c(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)c2)c1 9525739 HXOZSKZMRXEFMR-LSVMVFPXSA-N 436.464 3.092 0 50 IGAA COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CN(Cc1coc3ccccc3c1=O)CCO2 12029468 WXFSLMAAONXVND-QFIPXVFZSA-N 448.519 3.325 0 50 IGAA COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)cc(OC)c1 12053235 SNIAQUAQEBXCPO-SFHVURJKSA-N 449.555 3.153 0 50 IGAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1(c2ccccc2)CC1 12457638 CRLZOSNQHIPWHP-DEOSSOPVSA-N 427.633 3.390 0 50 IGAA COc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)c1 13517824 YUTAKWLAZXVDPV-UHFFFAOYSA-N 445.932 3.389 0 50 IGAA CC[C@H](Sc1nnc(CNC(=O)c2ccccc2F)n1CC)C(=O)NC1CCCC1 13956489 LVBITZCZYMDDHN-KRWDZBQOSA-N 433.553 3.297 0 50 IGAA C=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)NCc2cccc(Cl)c2)c1=O 14990384 RDRSZACOJFIJOQ-UHFFFAOYSA-N 439.899 3.297 0 50 IGAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)c1 14999505 MNUGSYWWCFENAY-GOSISDBHSA-N 444.915 3.082 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1 15441618 QOQJXUANFYMOKF-UHFFFAOYSA-N 445.560 3.209 0 50 IGAA CCN(CC)C[C@@H](O)COc1cc(CN2CCN(C3CCCCC3)CC2)ccc1OC 20406554 PGQPGJXJRHKVNV-HSZRJFAPSA-N 433.637 3.227 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)cc2)CC1 102394674 HGWORTXUIVHPGN-FSOBSUSHSA-N 426.557 3.354 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc(F)c(F)c1 169757913 UYCZEPSUMKTCSQ-GOSISDBHSA-N 433.798 3.134 0 50 IGAA CCc1ccc2c(c1)[C@@H](CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N2 1875252940 JNYZQTPXTOQQAJ-NWMKHYTJSA-N 435.524 3.018 0 50 IGAA O=C(N[C@@H]1CCOC2(CCS(=O)(=NC(=O)[C@H]3CCC[C@@H](F)C3)CC2)C1)c1ccco1 2332238193 FNQKOWAGJTXEBH-PIPFGBDQSA-N 440.537 3.244 0 50 IGAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1157431 ZMXRDQAERBCZNS-UHFFFAOYSA-N 436.917 3.166 0 50 IGAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 12058292 GRJPCPWDQJHBJU-QHCPKHFHSA-N 448.611 3.480 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1)NCc1ccccc1F 12585431 VYFONSCAYZQUTM-KRWDZBQOSA-N 439.531 3.342 0 50 IGAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cccc(Cl)c2F)CCO3)CC1 15001289 LWUNEZJBGLYJMG-UHFFFAOYSA-N 445.922 3.178 0 50 IGAA COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@H](O)CN1CCSCC1 15073696 BBARJSILGIFZAM-HXUWFJFHSA-N 437.005 3.427 0 50 IGAA Cc1ccc(OC(F)F)c(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1 20607367 RSQKHSGOTMIEKQ-UHFFFAOYSA-N 425.395 3.131 0 50 IGAA COC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)cc1 239235746 WPTCZOHWTAYUNS-KKFDQILXSA-N 443.455 3.250 0 50 IGAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 827758365 XXHOMIYFFDJTEP-LJQANCHMSA-N 439.537 3.332 0 50 IGAA CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H](n1cc(C(C)(C)N(C)C)nn1)C(C)(C)C 1875362917 YUTHBXNIJMFLJS-IBGZPJMESA-N 448.999 3.413 0 50 IGAA Cc1ccccc1C[C@@H](CO)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 2325740031 FVPXYZDHNZLBRM-RDGATRHJSA-N 430.548 3.304 0 50 IGAA O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 824449 ZLDVGYMUPSXKGU-UHFFFAOYSA-N 429.325 3.048 0 50 IGAA CN(C)C(=O)c1cc(CNCc2ccc3c(c2)OCCO3)cc(NC(=O)c2ccccn2)c1 12027824 NTXMARQSAJZUEP-UHFFFAOYSA-N 446.507 3.097 0 50 IGAA COCc1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)o1 14981910 VNYYYIXDJINBND-GOSISDBHSA-N 441.505 3.230 0 50 IGAA CCc1nn2c(nnc3c(=O)n(-c4ccc5c(c4)OCCO5)ccc32)c1-c1ccccc1 19818966 GJHUYUDQZKRFNE-UHFFFAOYSA-N 425.448 3.429 0 50 IGAA CCOc1ccccc1CN1CCN(CC2=Cc3cc(OC)ccc3OC2)C[C@@H]1CCO 20455753 ODDAUEGZSNPDPQ-QHCPKHFHSA-N 438.568 3.439 0 50 IGAA COc1ccc([C@H]2[C@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1OC 40282786 FBWNJICUXGRPQF-PKTZIBPZSA-N 431.492 3.326 0 50 IGAA CC(=O)Nc1cccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778001 RPALEQYYUGZIEV-IBGZPJMESA-N 443.467 3.041 0 50 IGAA O=C(c1n[nH]c2c1CCCC2)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169780693 XCXJUOTWUQYVER-UHFFFAOYSA-N 444.499 3.074 0 50 IGAA Cc1ccc(-c2csc3ncn(CCC(=O)N4CCC([C@H](C)O)CC4)c(=O)c23)cc1 170631771 SBQANMOGFOAKLB-INIZCTEOSA-N 425.554 3.443 0 50 IGAA CC(=O)c1cn(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)c2ccccc12 253535975 ZWGNPSHIQSNQIA-HXUWFJFHSA-N 432.480 3.141 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 409414608 NIIYAGOWCIKFTN-NNWRFLSQSA-N 440.588 3.396 0 50 IGAA Cc1ccn2c(NC(=O)c3cccn(Cc4c(Cl)cccc4Cl)c3=O)nnc2n1 1529154182 ZGTKTMOWAIUTNZ-UHFFFAOYSA-N 429.267 3.202 0 50 IGAA Cc1ccc(C(=O)N[C@]2(C(=O)O)C[C@H](O)C2(C)C)cc1-c1cn(CC2CCCCC2)nn1 1875353742 FGGVJLUKUMBZMW-RDPSFJRHSA-N 440.544 3.178 0 50 IGAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3n2)cc1 815400 OTTXTXCDQWKBEW-OAHLLOKOSA-N 427.455 3.263 0 50 IGAA C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1 1141467 DUXYEUVGOIUEFF-LJQANCHMSA-N 438.549 3.464 0 50 IGAA CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1 3022201 ZHPQQCJGCLEGMJ-UHFFFAOYSA-N 448.516 3.168 0 50 IGAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)c1C 9184861 SZWRVNFLTWEBLA-UHFFFAOYSA-N 439.449 3.451 0 50 IGAA CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cn3ccc(C)cc3n2)c1=O 11784610 RVZYNRZTRGDCCL-UHFFFAOYSA-N 449.555 3.332 0 50 IGAA CCc1nc2cc(N)cc(C(=O)NCc3cnn(Cc4ccccc4)c3)c2n1CCCOC 11911545 SYMCEZMHHYFCBX-UHFFFAOYSA-N 446.555 3.392 0 50 IGAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 12155816 IUVHPKKFSHHVJN-UHFFFAOYSA-N 448.527 3.007 0 50 IGAA CCC(=O)N(Cc1ccc(OCCc2scnc2C)c(OC)c1)[C@H]1CCCCNC1=O 12167261 CQBGKVRKKLQDPJ-SFHVURJKSA-N 445.585 3.489 0 50 IGAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccn1-c1cccnc1)CC2 14749427 GHKIXRAVWGBKGC-UHFFFAOYSA-N 443.551 3.344 0 50 IGAA Cc1c(C(=O)N(CCO)Cc2ccccc2)sc2ncnc(NC[C@H]3CCCO3)c12 14878578 JNWXTRSSFJGPRD-QGZVFWFLSA-N 426.542 3.225 0 50 IGAA COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1ccc(OC(C)C)cc1)CC2 19838311 HUWIVHFSGJSCIV-UHFFFAOYSA-N 449.555 3.062 0 50 IGAA O=C(c1cccc(Br)c1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169777525 ZPKWOWZTRMSCSI-UHFFFAOYSA-N 443.305 3.445 0 50 IGAA O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cccc(CN2CCOCC2)c1 225485731 HOKUNKCUCQJRFZ-UHFFFAOYSA-N 429.948 3.257 0 50 IGAA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239203135 RULHJIWGGRSOFJ-LQJXHGKSSA-N 442.515 3.298 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 886025648 PSQROBAOCYRKDI-NHCUHLMSSA-N 446.507 3.201 0 50 IGAA O=C([C@H]1CCCCN1Cc1cn(-c2ccccc2)nn1)N1CCCC[C@@H]1c1nncs1 1875358265 PFHVMUCMWBAKIZ-WOJBJXKFSA-N 437.573 3.227 0 50 IGAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N(CCO)CCOc1ccccn1 2325727188 CDFKRPSTPOHSOC-UHFFFAOYSA-N 437.378 3.056 0 50 IGAA Cc1cccc(C(=O)N[C@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)c1 1452606 TXERAAAMMMMLNF-HNNXBMFYSA-N 436.748 3.181 0 50 IGAA CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nccs2)n1C 2835793 CTHYHHKEZHSLAV-HNNXBMFYSA-N 430.559 3.130 0 50 IGAA COc1ccc(OC)c(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)c1 2854994 FCMSFOHSRDKTCL-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 2986856 XBSPFXQSUXBRGF-UHFFFAOYSA-N 428.963 3.023 0 50 IGAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 8590006 CFVMPUVCNVDIGT-UHFFFAOYSA-N 444.322 3.401 0 50 IGAA biogenic Cc1cc(C)n(CC(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)n1 12299144 PWBQANIMJZDYFR-UHFFFAOYSA-N 439.495 3.343 0 50 IGAA O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(I)cc1 14162060 CSLJNWLFBYKDPS-UHFFFAOYSA-N 438.250 3.467 0 50 IGAA Cn1cc(CN2C[C@@H](OCc3cccnc3)CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2=O)cn1 14542580 WZABRRALEBBZSG-HJOGWXRNSA-N 449.599 3.037 0 50 IGAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)[C@@H]3CC=CCC3)CC2=O)cc1 14749828 XRZIKHZTBZOZCG-ISKFKSNPSA-N 449.551 3.203 0 50 IGAA COC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3C)CC2)sc2c1CCCC2 19634753 BBJGXXBARILHKZ-UHFFFAOYSA-N 441.597 3.478 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3coc4ccc(Cl)cc4c3=O)C2)CC1 20600861 FOUVDCKSASSKIO-GOSISDBHSA-N 433.936 3.185 0 50 IGAA CC(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 169758632 HHRRFCLBVFXHLL-IBGZPJMESA-N 430.936 3.185 0 50 IGAA CC(C)(C)OC(=O)NC1CCN(CCCC(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1 170595796 YQHLLWFXHQLQPF-OAQYLSRUSA-N 430.593 3.469 0 50 IGAA CC(=O)N[C@](C)(C(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 225477267 XGNGGESYVQMALG-FYSMJZIKSA-N 438.549 3.472 0 50 IGAA CCc1cc(Br)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239254602 YMADUIMTEXLGIQ-AQPSJQEXSA-N 429.314 3.003 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O)c1nc2ccccc2[nH]1 252538417 NATJFQFPHWOFRI-LHSJRXKWSA-N 449.511 3.194 0 50 IGAA Cc1cc(N2CCC(NC(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)CC2)nc(C)n1 488867467 XLLHUWPVYITVFW-HNNXBMFYSA-N 445.564 3.078 0 50 IGAA CC(C)Cn1ccc2c(C(=O)NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cccc21 774186040 JVEGBWVVDSALHA-UHFFFAOYSA-N 427.526 3.118 0 50 IGAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCCc2nc(C)no2)cc1 824692086 GXSHMLOXIHDJTF-UHFFFAOYSA-N 437.452 3.353 0 50 IGAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 952974580 JSVSYWZPDNKCKF-INIZCTEOSA-N 437.525 3.326 0 50 IGAA COc1cc(CC(=O)N[C@@H](C)c2ccc(Br)cc2OCCCO)ccc1O 1450444679 IADIZOOLNBJDAO-ZDUSSCGKSA-N 438.318 3.344 0 50 IGAA COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2ccc(=O)oc12 1848443169 YCLWAHRUEXNAHS-KRWDZBQOSA-N 431.444 3.455 0 50 IGAA O=C(CCc1cnccn1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857699595 VKDXBTDEIOMPGE-JOCHJYFZSA-N 436.556 3.034 0 50 IGAA CC(C)c1ncsc1C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)CC1 2332238426 UNHYMTLOWVULOJ-MOSXAGAJSA-N 441.619 3.167 0 50 IGAA Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC[C@@H]1CCCO1 1113843 FFUPEBAGSCAYGA-KRWDZBQOSA-N 437.525 3.019 0 50 IGAA COc1ccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)cc1 2873819 OYJLVHDYWQCWSM-ZDUSSCGKSA-N 428.489 3.429 0 50 IGAA CCOc1ccccc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O 2982858 HGLRURMVDKPKAW-UHFFFAOYSA-N 442.990 3.413 0 50 IGAA COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)o1 11882123 XFHRXNGFXJDDEG-LJQANCHMSA-N 431.581 3.439 0 50 IGAA COC(=O)c1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 12099326 KBJILLMFKZGJKD-HSZRJFAPSA-N 441.553 3.257 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N[C@@H]4CCOC4)c(C)c23)c1OC 12124271 PDAROKKTXQOPAK-CQSZACIVSA-N 428.514 3.148 0 50 IGAA CCC(=O)Nc1cc(C(=O)N(C)Cc2nonc2C)c2c(c1)nc(Cc1ccccc1)n2C 12149373 NAMRHDHDMGGBRD-UHFFFAOYSA-N 446.511 3.476 0 50 IGAA C[C@@H](Cc1cccnc1)N1CCC2(CC1)C[C@H]2C(=O)NCCc1nc2ccccc2n1C 12151134 BJHGOCISGGDAHP-FPOVZHCZSA-N 431.584 3.360 0 50 IGAA COc1ccc(OCc2cc(C(=O)N3CCC[C@H](CN4CCCC4=O)C3)no2)c(Cl)c1 12206498 CVFKBESIJARMNV-OAHLLOKOSA-N 447.919 3.390 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)cc1 59308193 WTGLYITXMIPIIT-OAQYLSRUSA-N 431.939 3.391 0 50 IGAA Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)c(C)c1 169757848 FQPWTRIDXQYRCY-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA NC(=O)CSc1ccccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 170617453 WRLOKZKEDMPXSZ-UHFFFAOYSA-N 426.519 3.296 0 50 IGAA C[C@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 225414262 YZAQNCAVJAWNLG-DLBZAZTESA-N 448.583 3.258 0 50 IGAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@H](c1ccc2c(c1)OCO2)CC(=O)O3 253412134 PZOCAZXIMUAEOP-KRWDZBQOSA-N 449.459 3.203 0 50 IGAA biogenic Cc1cc(N2CCC(NC(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)CC2)nc(C)n1 488867469 XLLHUWPVYITVFW-OAHLLOKOSA-N 445.564 3.078 0 50 IGAA O=C(c1ncccc1O)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857702034 XDNKFHWQAYLASI-HXUWFJFHSA-N 437.540 3.416 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccccc1F 625782 KZKOOAVZNINLFH-SQWSFHKJSA-N 440.471 3.077 0 50 IGAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1OC 715110 AVEHUTJBJBJPJY-NRFANRHFSA-N 440.452 3.194 0 50 IGAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2 12041737 FPPWDGODKIFUAN-NRFANRHFSA-N 427.593 3.310 0 50 IGAA COc1ccc(NC(=O)CC[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(C)c1 12111939 QVBUNWXZMIVTAW-QGZVFWFLSA-N 434.562 3.163 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)cc1 12282905 UYUBASWUBAPJQD-UNMCSNQZSA-N 449.599 3.110 0 50 IGAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)N2CCOc3ccc(Cl)cc3C2)c1=O 14879705 SCWADIUWBPHYGC-CQSZACIVSA-N 431.920 3.257 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)s3)cc(-n3cnnn3)c2)C1 14998841 ZIBBXXHEMQENOP-OAHLLOKOSA-N 425.514 3.115 0 50 IGAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cccn3-c3ncccn3)C2)cc1OC 20322404 CMQGASSUSPJRPI-OAQYLSRUSA-N 435.572 3.423 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1cccc(F)c1 55089147 HHWUYJVERRKZKR-VWLOTQADSA-N 445.538 3.465 0 50 IGAA O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 169764004 GZHBUITXXAKEGM-IAGOWNOFSA-N 438.553 3.163 0 50 IGAA Cc1cc(C)c(-c2cc(NC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)n[nH]2)cc1C 918388378 DNMPKXXISDIPAJ-VWLOTQADSA-N 443.507 3.334 0 50 IGAA C[C@@H](NC(=O)c1c[nH]c2ncc(Br)cc12)c1cccc(N2CCNC2=O)c1 1875308303 ZGWAPVJZFWQNMR-LLVKDONJSA-N 428.290 3.346 0 50 IGAA C[C@H](OC1CCCCCC1)C(=O)NC[C@@H]1CCC[C@H](c2cn(C3(C(=O)O)CC3)nn2)C1 1875357024 YGJAGOKPHPJEBV-KSZLIROESA-N 432.565 3.370 0 50 IGAA CCC1(C)CCC(NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 2325826043 MURBSSMDJXEKAO-UHFFFAOYSA-N 444.395 3.277 0 50 IGAA Cc1nc(SCC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)n[nH]1 2356153358 COUOIYIZWJGXGI-ANULTFPQSA-N 425.602 3.149 0 50 IGAA O=C(c1cccc(N2CCNC2=O)c1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356155633 KOUPVAUVMRKWJY-UHFFFAOYSA-N 430.508 3.402 0 50 IGAA Cc1nn(C)c(C(=O)NC(=S)Nc2ccccc2Br)c1Br 2797427 KSUYNKOKVHHMQO-UHFFFAOYSA-N 432.141 3.380 0 50 IGAA C[C@@H]1CCCCN1C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 11787342 REPQHNCEOCGGGC-GOSISDBHSA-N 446.551 3.495 0 50 IGAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)CC1 12209631 FQZSZUKJBCQSBM-LJQANCHMSA-N 444.572 3.170 0 50 IGAA COc1ccc(-n2ccnc2CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1 12317060 IZVAMMKNYHAMLO-JOCHJYFZSA-N 426.561 3.168 0 50 IGAA COc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc(OC)c1 12509490 DGGFRAUEOWUJCT-FQEVSTJZSA-N 425.529 3.042 0 50 IGAA C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)C[C@@H](C)O1 13471018 WAZJBJXJSXYLOL-BZUAXINKSA-N 436.505 3.030 0 50 IGAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1cccc(OC)c1OC)C2 14748707 ZQNOWMMGTLQTAY-GOSISDBHSA-N 426.561 3.193 0 50 IGAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 14754657 HZIWDVRXYLOCSU-UHFFFAOYSA-N 448.523 3.273 0 50 IGAA COC(=O)c1cc(C)sc1NC(=S)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1 19634762 YGKSEUJWKDEMRJ-UHFFFAOYSA-N 441.600 3.321 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)CC1 22920363 MSJOHWDGNQEBSF-HXUWFJFHSA-N 425.533 3.007 0 50 IGAA O=C1N[C@@H](C(F)(F)F)CC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 225408704 KJLKZUONPNCEJU-WSOZGMELSA-N 448.445 3.074 0 50 IGAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 242305010 YUAAPMQCVYTONT-RANZSIQMSA-N 426.542 3.137 0 50 IGAA CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 261490109 ZNSYKAPBCWLIAY-KDOFPFPSSA-N 437.393 3.492 0 50 IGAA CC(C)Cn1nc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c2ccccc2c1=O 410117288 RQXHPXIDNPRHPQ-NRFANRHFSA-N 432.524 3.146 0 50 IGAA C[C@@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc2ccccc2c1 753203962 NEPLYFPDLOBHQQ-QGZVFWFLSA-N 433.533 3.237 0 50 IGAA CN1C(=O)CCc2cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)ccc21 753754723 NRLNADVKMMQPGI-SANMLTNESA-N 441.487 3.399 0 50 IGAA O=C(N[C@@H](C(=O)O)c1ccc(F)c(F)c1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 1875257279 XEBQGHUGEPLLEG-OAHLLOKOSA-N 426.301 3.120 0 50 IGAA CC(C)(C)c1nc(CN2CCC[C@@H](CNC(=O)c3cc(F)c(F)c(O)c3F)C2)no1 1875261246 MWCYBBILCKHQOW-NSHDSACASA-N 426.439 3.132 0 50 IGAA CC[C@@](C)(O)c1cn(C2CCC(NC(=O)c3cnn(C)c3Cc3ccccc3)CC2)nn1 1875358183 MNKKZVFLAZQOCO-RGELYXPASA-N 436.560 3.134 0 50 IGAA CNC(=O)c1cccc(NC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)c1 1875390179 VFRSCMOGTDGUTE-UHFFFAOYSA-N 425.872 3.193 0 50 IGAA Cc1ccc(OCC(=O)N2CCN(C(=O)c3cnc(COC(C)(C)C)s3)CC2)cc1 2325828112 ZDDWFDWRVTYFIA-UHFFFAOYSA-N 431.558 3.130 0 50 IGAA Cc1cc(Cl)c(S(=O)(=O)Nc2ccon2)cc1OCC(=O)NC1CCCCC1 2850323 SMLBGJZOGTWCAW-UHFFFAOYSA-N 427.910 3.265 0 50 IGAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 13427353 PGCKAJIVIJLFNR-RKVPGOIHSA-N 442.777 3.173 0 50 IGAA COC(=O)[C@@H](NC(=O)C1CCN(c2nc(C)c3ccc(C)cc3n2)CC1)c1ccccc1 14981967 VVTZILKKFXWNIY-QFIPXVFZSA-N 432.524 3.494 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2Cl)cc1 16266909 DJMKJWQVZPMILY-GOSISDBHSA-N 436.961 3.135 0 50 IGAA O=S(=O)(c1ccccc1)N1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 19638620 HFGUZIILZRQTHQ-UHFFFAOYSA-N 443.550 3.045 0 50 IGAA O=C(Cc1ccccc1Cl)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169770343 ZIPRHDXCAKYLLS-UHFFFAOYSA-N 428.895 3.361 0 50 IGAA CC1([C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC6(CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]32CO)OCCO6)OCCO1 253604728 SPRGBCQVWWNTQI-NGVJSUCYSA-N 436.589 3.095 0 50 IGAA Cc1ccc(Cc2noc(Cn3ccn4nc(-c5ccc(C)cc5)c(CO)c4c3=O)n2)cc1 263618313 SFWNLBWRNKVUPW-UHFFFAOYSA-N 441.491 3.294 0 50 IGAA COCCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2c(Br)cccn12 328594107 QAWAQWWSIICAPA-UHFFFAOYSA-N 444.282 3.062 0 50 IGAA CN1CCN(CCOc2ccccc2NC(=O)c2csc(Nc3ccccn3)n2)CC1 1875259358 QHCGSTONMQACTG-UHFFFAOYSA-N 438.557 3.160 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 1197250 PFVGTGGBWYOTON-FBHQFGEZSA-N 448.544 3.115 0 50 IGAA COc1ccc(CCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 2994731 JIQPFVWSXLGBEM-UHFFFAOYSA-N 431.341 3.127 0 50 IGAA Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 9211072 JGZVJYDJXMOIAT-HXUWFJFHSA-N 432.572 3.436 0 50 IGAA CCN(CC)C[C@@H](O)COc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)cc1OC 11820058 QSHMEYYZCQKNEA-LJQANCHMSA-N 430.593 3.011 0 50 IGAA O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC(c2ccncc2)CC1 12320321 UCRBTMOCGSNFIM-UHFFFAOYSA-N 430.468 3.249 0 50 IGAA Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)n1 12710489 FYMKJRKKOBIHMF-JOCHJYFZSA-N 434.544 3.322 0 50 IGAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)CC(C)(C)C)C2 14534327 YDOPXUAUVIGBLQ-UHFFFAOYSA-N 437.588 3.186 0 50 IGAA COCc1c(C(=O)NCCCc2ccncc2)cnn1-c1nccc(-c2ccccc2F)n1 14995952 JCSNEQKCXNBLDA-UHFFFAOYSA-N 446.486 3.372 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccc(-n4nc(C)cc4C)c3)C2)CC1 20455886 XWJCSOSIORSQHH-HSZRJFAPSA-N 425.577 3.228 0 50 IGAA Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21 38460704 ACWZRVQXLIRSDF-UHFFFAOYSA-N 441.232 3.011 0 50 IGAA world COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 206253381 LCHLVKNPNPCPQD-HXUWFJFHSA-N 448.479 3.091 0 50 IGAA O=C(NC[C@H]1Cc2ccccc21)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 222247849 BWBDJDYIJNZFIW-TZIWHRDSSA-N 438.574 3.320 0 50 IGAA CC(C)[C@@H](NC(=O)CN1CC[C@H](OCc2ccncc2)C1)c1ccc2c(c1)OCCCO2 225519030 ILPYHXFLCNKSQV-SQJMNOBHSA-N 439.556 3.347 0 50 IGAA Cc1ccc(-n2nc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c3c2CCC3)c(F)c1 409829242 PCZXGNNEZUYFRZ-DEOSSOPVSA-N 447.470 3.115 0 50 IGAA CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4ccnc4O)c3)cc2)CC1 917403917 ZLZATZVFSYLMEN-UHFFFAOYSA-N 440.525 3.251 0 50 IGAA CN1C[C@@H](NC(=O)c2ccc(N3CCCC3)c(Cl)c2)c2sccc2S1(=O)=O 952863539 ULKLIQMOZHSATF-CQSZACIVSA-N 425.963 3.107 0 50 IGAA CC[C@](C)(CC(=O)N[C@H]1CCN([C@H](C(=O)O)C(C)C)C1=O)Cc1nc2ccccc2s1 1875262397 QXHADNKZLROPHB-ITSWEJNFSA-N 445.585 3.472 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 2325723333 LLSIRJCCUVJWMJ-UHFFFAOYSA-N 448.570 3.012 0 50 IGAA CCc1c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CSc4ccccc4O3)C2)cnn1C(C)(C)C 2325827377 DQKJXSDCMRZBPM-BEFAXECRSA-N 442.585 3.085 0 50 IGAA COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccco2)n3C)cc1 8606527 JMYWDVNRKGTIRR-UHFFFAOYSA-N 448.479 3.165 0 50 IGAA COc1ccc(NC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(C)c1 12111938 QVBUNWXZMIVTAW-KRWDZBQOSA-N 434.562 3.163 0 50 IGAA O=C(/C=C/c1cccc(F)c1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 12201840 WDZOVUGNXAWGLX-DORXLWPQSA-N 448.542 3.211 0 50 IGAA CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)[C@H]2CCCC[C@@H]21 12416730 RCTJTKDCQITONR-DQYPLSBCSA-N 448.416 3.236 0 50 IGAA Cc1nn(C)c(C)c1CN(Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1)C1CC1 12593900 HVYHOCJGOTWXTH-HSZRJFAPSA-N 426.605 3.427 0 50 IGAA COc1ccc(CN2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)cc1 14533491 VVYSBPJSWFWVFO-UHFFFAOYSA-N 437.569 3.247 0 50 IGAA CCn1cc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)CC2)c(C)n1 20616198 GWVVUHOHLLOALX-UHFFFAOYSA-N 440.495 3.136 0 50 IGAA O=C(/C=C/c1cccnc1)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 23144766 DEAKOTSJUWQLGD-DWOOMVRVSA-N 446.595 3.458 0 50 IGAA O=C(CCNC(=O)c1ccsc1)NCc1ccc(I)c(Cl)c1 225718267 DWOXEPOXEMESLS-UHFFFAOYSA-N 448.713 3.442 0 50 IGAA C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1NCC1CCN(C(=O)c2ccccc2)CC1 252571509 YBVPPAKNYCYABQ-YUXAGFNASA-N 445.604 3.447 0 50 IGAA O=C(NC[C@@H]1CC[C@H](c2ccccc2)C1)NS(=O)(=O)c1ccn(CC(F)(F)F)n1 2325841369 REZWVQGSLRJERI-HIFRSBDPSA-N 430.452 3.017 0 50 IGAA O=C(O)c1ccc2cc(C(=O)N[C@H]3CCc4nnc(Cc5ccccc5)n4C3)ccc2c1 2325853605 WKJIQWVCOWIRNU-NRFANRHFSA-N 426.476 3.465 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)cc1OC 835396 ZKEVKARKLSZYCN-UHFFFAOYSA-N 432.542 3.220 0 50 IGAA COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCCc4ccncc4)c3C)nc1-2 11963327 PWOMDNVFRCZUBZ-UHFFFAOYSA-N 440.507 3.112 0 50 IGAA COc1cccc(CN2C[C@@H](OCc3c(C)noc3C)CN(C(=O)C(C)(C)C)CC2=O)c1 14750179 VIODATMJVAXPFZ-HXUWFJFHSA-N 443.544 3.102 0 50 IGAA COC(=O)[C@@H]1C[C@@H](NC(=O)CCc2ccc(C)cc2)CN1Cc1cc(C)c(OC)cc1C 14882139 VLLKWHIKXFOPDN-PKTZIBPZSA-N 438.568 3.485 0 50 IGAA O=C(c1cnccn1)N1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 14998887 ASTAFGIOVLAMMJ-UHFFFAOYSA-N 447.539 3.148 0 50 IGAA O=C1CN(Cc2ccc(O)cc2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 20854792 SMFBLYUZBQGLIW-RUZDIDTESA-N 431.536 3.260 0 50 IGAA O=C(O[C@@H]1CS(=O)(=O)C[C@H]1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 25577924 HFDZPMWEYOOGJM-FGZHOGPDSA-N 435.501 3.356 0 50 IGAA CN(C(=O)c1ccccc1Oc1cnn(C)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 225752882 CDVBTZSMFHSMDS-QGZVFWFLSA-N 431.901 3.466 0 50 IGAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3ccccc3)CC2)[nH]n1 299772446 XZOYAGZTAMAYJZ-QFIPXVFZSA-N 449.599 3.199 0 50 IGAA COc1ccc(-n2nc(C(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)cc2-c2ccccc2)cc1 1857668775 UIJDPKQUTVUDNX-UQBPGWFLSA-N 433.508 3.019 0 50 IGAA Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)c1ccccc1)n2Cc1ccccc1Cl 628017 SYHKTLVHUYOHOA-UHFFFAOYSA-N 440.912 3.100 0 50 IGAA COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 634857 ZDEQWGQSDCMXEC-UHFFFAOYSA-N 442.512 3.342 0 50 IGAA O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 1157000 ARNGBSRPBQXTBD-QFIPXVFZSA-N 432.501 3.271 0 50 IGAA COc1cccc(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1 8425746 ZSFCWJIKBMITLM-UHFFFAOYSA-N 444.491 3.320 0 50 IGAA COc1cccc2c(C)nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc12 8584488 SQUGJJIRURMMSN-UHFFFAOYSA-N 427.515 3.226 0 50 IGAA COc1cccc(-n2c(CNC(=O)/C=C/c3cccs3)nnc2SCCN(C)C)c1 11790777 MFQOZOGXHBSJPI-MDZDMXLPSA-N 443.598 3.321 0 50 IGAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 12048951 REEHSJVHPZVRAT-AWEZNQCLSA-N 449.433 3.319 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)COc2ccccc2OC)C1 12581604 MBVVLLQFSZZQBA-VWLOTQADSA-N 441.524 3.497 0 50 IGAA CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 14978657 UAPVMAUUAIGUTI-HXUWFJFHSA-N 449.551 3.183 0 50 IGAA CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccccc3OC)s2)CC1 59759613 MWCWGFIZMVRLLG-UHFFFAOYSA-N 431.562 3.250 0 50 IGAA CCc1noc(-c2cn(C3CCN(C(=O)[C@H](C)Oc4cccc(Cl)c4)CC3)nn2)n1 169778629 CXOQOMCDUUHPHC-ZDUSSCGKSA-N 430.896 3.175 0 50 IGAA CCOC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)c1 238924105 RAKVISILOXPROI-QAQDUYKDSA-N 434.496 3.413 0 50 IGAA C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C1 1875260351 PLHQIBLNUKKQDB-XXBNENTESA-N 428.598 3.191 0 50 IGAA CC[C@](C)(CC(=O)N[C@@H]1CCN([C@H](C(=O)O)C(C)C)C1=O)Cc1nc2ccccc2s1 1875262399 QXHADNKZLROPHB-NIJIEXERSA-N 445.585 3.472 0 50 IGAA Cn1ncc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)c1Cc1ccccc1 1875358486 XWSOFTQHHSUHJJ-NRFANRHFSA-N 446.507 3.343 0 50 IGAA COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 6181882 ZXUIHBQNPSDKNZ-FOCLMDBBSA-N 431.297 3.299 0 50 IGAA O=C(NCc1cccnc1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 8846285 PGYSIESHTQVFOB-GOSISDBHSA-N 435.505 3.340 0 50 IGAA O=C(Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1Br 9028850 GLHSVBHNNCSJNU-ZDUSSCGKSA-N 429.270 3.476 0 50 IGAA COc1ccc(CN(C)CCn2ccnc2)cc1OC[C@@H](O)CN1CCCCCCC1 11936138 YTUHGGQRTZAYLE-QFIPXVFZSA-N 430.593 3.030 0 50 IGAA COc1cc(C[C@]2(CCC(=O)NCc3cn4c(C)cccc4n3)CCC(=O)N2)ccc1F 12241300 LQDRLCPSPAFOQV-DEOSSOPVSA-N 438.503 3.078 0 50 IGAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 12303093 GKWUVVYKPBBMCZ-HXUWFJFHSA-N 436.556 3.071 0 50 IGAA Cn1cnnc1Sc1ccc(CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 12442142 ORONMJNMAGDYNC-OAHLLOKOSA-N 426.498 3.383 0 50 IGAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2 14745212 VUKHQEUNPIRZOK-UHFFFAOYSA-N 443.551 3.491 0 50 IGAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCC1(c3ccccc3)CCCC1)C2 14751467 XHCZSESUUWJIMF-NRFANRHFSA-N 436.600 3.334 0 50 IGAA CCCOc1c(Br)cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 16361555 NIZPZCWLAFSGGJ-OAHLLOKOSA-N 427.295 3.438 0 50 IGAA O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 170625634 NCPOEFLGKRURGH-KRWDZBQOSA-N 435.509 3.087 0 50 IGAA O=C(c1cnc2cccnn12)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857716708 FACLBDYDICJDTP-UHFFFAOYSA-N 426.480 3.012 0 50 IGAA CN(Cc1nc(O)c2ccccc2n1)C(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857732054 ZYYUDUURFFITPV-OAHLLOKOSA-N 432.484 3.137 0 50 IGAA Cc1cc(OC(=O)c2cc(S(=O)(=O)N(C)Cc3cccnc3)cn2C)ccc1Cl 2325731151 RJEKBNKUONGAIA-UHFFFAOYSA-N 433.917 3.422 0 50 IGAA COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc(OC)c1OC 1130114 RCLDYBHNUNRDTF-IBGZPJMESA-N 428.510 3.249 0 50 IGAA COc1ccc(CCN(C(C)=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 8694683 ODQVUDWKAMOMAW-SFHVURJKSA-N 430.888 3.080 0 50 IGAA COCCNC(=O)c1ccc(OC2CCN(Cc3cccc4c3OCO4)CC2)c(Cl)c1 12207045 JUJPLXDEJSDOHT-UHFFFAOYSA-N 446.931 3.488 0 50 IGAA O=C(NC1Cc2ccccc2C1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 12283132 NIDMPUAQTXFNON-UHFFFAOYSA-N 433.552 3.487 0 50 IGAA Cc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)n1 12304210 AKLBNSLVRRJYRE-DEOSSOPVSA-N 444.535 3.189 0 50 IGAA COCC(=O)NCCCOc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1 55283609 GOZDXAAVUHIZMN-UHFFFAOYSA-N 425.573 3.157 0 50 IGAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nc(-c3ccncc3)cs2)n1 61721051 LRNLSFLZZQATQD-UHFFFAOYSA-N 437.456 3.215 0 50 IGAA CC(C)n1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2ccccc2c1=O 225461618 AAGNYGIHPKZWRN-MAUKXSAKSA-N 428.533 3.353 0 50 IGAA O=C(N[C@@H](CCO)Cc1ccccc1)c1cccc(NS(=O)(=O)c2cccs2)c1 239882344 DBFXRAFINQOJEG-SFHVURJKSA-N 430.551 3.272 0 50 IGAA C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 252444013 PHCBHOTWWSPYPF-BBRMVZONSA-N 441.553 3.271 0 50 IGAA O=C1N[C@@H](Cc2cccc(Cl)c2)C(=O)N1Cc1ccc(OCCN2CCCC2)cc1 804164168 RYZRQWAXIDKXPE-NRFANRHFSA-N 427.932 3.478 0 50 IGAA COCCn1ccnc1CN(Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccn1 824466121 KYTPZJAPEQXPMA-UHFFFAOYSA-N 426.517 3.153 0 50 IGAA COC(=O)c1cccc(-c2nc(-c3cn([C@H](Cc4ccccc4)C(N)=O)nn3)cs2)c1 1875315041 GBTGTULSCYWIPW-LJQANCHMSA-N 433.493 3.124 0 50 IGAA COc1cc(NC(=O)N2CCn3cc(C(F)(F)F)nc3C2)ccc1N1CCCCC1=O 1875316549 YOARJFXCVVUOGC-UHFFFAOYSA-N 437.422 3.475 0 50 IGAA CN(C1CCN(CCc2ccncc2)CC1)S(=O)(=O)c1cccc(Br)c1 2325729080 GZJPYZZDLJROGL-UHFFFAOYSA-N 438.391 3.172 0 50 IGAA COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1cccc(Br)c1 1102590 OQXRCHJEJRQYBP-OAHLLOKOSA-N 436.302 3.141 0 50 IGAA CN(CC[C@@H](O)c1ccccc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 12198056 RPJDYWZPNDNRMF-HSZRJFAPSA-N 441.597 3.475 0 50 IGAA Cc1ccc(-n2c(SCC(=O)N3CCOc4ccc(C)cc43)nc3c(=O)[nH]cnc32)cc1 12462110 FHRYOKXCAQIRCV-UHFFFAOYSA-N 447.520 3.243 0 50 IGAA biogenic,in-vitro OC1CCN(C[C@H](O)COc2cccc(CNCc3ccccc3C(F)(F)F)c2)CC1 15068772 VHBXJQCAKXDYCR-FQEVSTJZSA-N 438.490 3.192 0 50 IGAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 16648778 QEQVQUXOOMPDGW-UHFFFAOYSA-N 442.368 3.247 0 50 IGAA CCCN1CCC(N2C[C@H](NC3C4CC5CC(C4)CC3C5)C[C@H]2C(=O)NC(C)C)CC1 19740617 DPIZDBCVPFFKFU-MUSRSHQJSA-N 430.681 3.243 0 50 IGAA COc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cc1OC 20995138 MWXUSEVBZSBWRX-QFIPXVFZSA-N 428.573 3.398 0 50 IGAA Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O 169757851 ZWFITNAUUJBEAS-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA CC(C)ON1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3[C@@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 254747379 BLWMJVQUOBWFHN-XUJOQLRTSA-N 427.111 3.003 0 50 IGAA Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)cc1 727392127 ZGPMAFFPKIBBJG-JOCHJYFZSA-N 445.563 3.258 0 50 IGAA Cc1cc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)cc2)n[nH]1 759086372 UWUKILPBKUHRLT-QUCCMNQESA-N 436.468 3.221 0 50 IGAA O=C(CCn1cnnc1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705798 WHXXKCAHLLWOHH-JOCHJYFZSA-N 425.577 3.157 0 50 IGAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(I)c1 1088218 QNSPSOOAHZRIOG-UHFFFAOYSA-N 436.249 3.016 0 50 IGAA CCOC(=O)Cc1csc(NC(=O)[C@@]2(C)CC2(Br)Br)n1 2091104 JRVAFYWVSBUKBD-LLVKDONJSA-N 426.130 3.083 0 50 IGAA CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 2828406 FICXIFXMEHEXIU-UHFFFAOYSA-N 425.348 3.166 0 50 IGAA CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 4107664 NWHHIAUWHCNOGL-JOCHJYFZSA-N 436.556 3.495 0 50 IGAA COC(=O)c1sc(NC(=S)N2CCN(C3CCCCC3)CC2)c(C(=O)OC)c1C 4482030 BQXUSOUIVRUZKS-UHFFFAOYSA-N 439.603 3.277 0 50 IGAA O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 9416311 AHHGZKPZEQEKJY-UHFFFAOYSA-N 429.358 3.120 0 50 IGAA CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(CCCOC)C3=O)C1 12149163 CHFYYIZSCJPHSM-RBUKOAKNSA-N 441.572 3.327 0 50 IGAA CCN(CC)C[C@@H](O)COc1cc(CN2CCC(Oc3cccnc3)CC2)ccc1OC 12320442 KZKFHIDXJIJLNW-OAQYLSRUSA-N 443.588 3.215 0 50 IGAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cccnc3)C2)c(OC)c1 12434720 QTNGJPSTFSYTAE-HXUWFJFHSA-N 439.556 3.367 0 50 IGAA Cc1ccc(C2(c3noc(CN4CCC(C(=O)N5CCOCC5)CC4)n3)CCCC2)cc1 12478734 OZUBYEDCRIURFQ-UHFFFAOYSA-N 438.572 3.309 0 50 IGAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 13483811 KFQHZSHCUPUYLP-ROUUACIJSA-N 441.553 3.241 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(Cl)s1)C2 14539390 ISRMEKZBLAFEIW-HNNXBMFYSA-N 437.009 3.374 0 50 IGAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)N1CCCC1 65361896 GQAMKWJJASMKKN-UHFFFAOYSA-N 447.988 3.395 0 50 IGAA Cc1ccc(CCNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)s1 91746462 RWRFBFINURODJQ-OAQYLSRUSA-N 426.630 3.487 0 50 IGAA O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 101301073 AZVWOTWGCYDHKK-BIPCEHGGSA-N 440.908 3.449 0 50 IGAA COC(=O)C[C@@H](c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O)C(C)C 263586418 UGGLVIWBAJXPTC-GOSISDBHSA-N 445.512 3.224 0 50 IGAA biogenic Cc1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)ccc1S(N)(=O)=O 447156347 JILSXGHVTJYGLN-UHFFFAOYSA-N 444.538 3.278 0 50 IGAA C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccnc3)c2)c1 468873573 GSFKZBWORBKQRT-MRXNPFEDSA-N 436.491 3.472 0 50 IGAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 486039913 SPZJWOGKUSTZSD-SFHVURJKSA-N 426.270 3.459 0 50 IGAA COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)cnc1O 2325824312 XXFIQMOYWGLDON-OLMNPRSZSA-N 437.496 3.297 0 50 IGAA CN(C)c1ccc(Br)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 2325860818 WBDWBXCUFWVIPA-FQEVSTJZSA-N 442.357 3.361 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 871672 JWCHRPMABBPIQX-AEFFLSMTSA-N 433.302 3.468 0 50 IGAA Cc1ccc(C)c(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 1170266 DIIIDLFHGXRGBD-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA CCOC(=O)C(=O)N1c2ccccc2[C@H](N(C(=O)C(=O)OCC)c2ccccc2)C[C@@H]1C 2266601 XMQNTLAVAJKJAH-OXJNMPFZSA-N 438.480 3.012 0 50 IGAA CCOC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3 2366723 IATHRGVCQPIDKT-UHFFFAOYSA-N 448.928 3.282 0 50 IGAA Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 8915273 DREFQHSVTNTKNV-GOSISDBHSA-N 425.506 3.239 0 50 IGAA Cc1cc(NC(=O)c2cc(-c3ccccc3F)no2)nn1CC(=O)N1CCC(C)CC1 9432322 MFGAQWYNSQXNAB-UHFFFAOYSA-N 425.464 3.496 0 50 IGAA O=C(NCc1ccco1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 11881757 FIIGBDBGACECKP-GOSISDBHSA-N 444.491 3.004 0 50 IGAA C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 12217670 RHNYYUFHMNEFNN-QUCCMNQESA-N 446.551 3.495 0 50 IGAA COc1ccc(-n2ccnc2CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc1 12317059 IZVAMMKNYHAMLO-QFIPXVFZSA-N 426.561 3.168 0 50 IGAA COc1ccc(C2(CNC(=O)c3cn(C[C@H]4COc5ccccc5O4)nn3)CCCC2)cc1 12570713 ZDHMRGSWFVJRGJ-FQEVSTJZSA-N 448.523 3.369 0 50 IGAA COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)CN1CCOCC1 13956478 DBHGYCKYMYGDPM-UHFFFAOYSA-N 427.545 3.121 0 50 IGAA Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)CN(Cc3ccccc3)C2)c1 14751127 MOLFIRFHQDMVLG-CLJLJLNGSA-N 435.612 3.390 0 50 IGAA CCOc1ccc2nc(N3CCC[C@@H]3C(=O)NCc3ccc4c(c3)OCO4)nc(C)c2c1 14998272 OXPQPZQENCXKHN-HXUWFJFHSA-N 434.496 3.351 0 50 IGAA C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccc(F)cc2)C[C@H]1C 241157240 JWAPOVIXOLWCAB-UXHICEINSA-N 440.563 3.196 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1 253410425 NIIYAGOWCIKFTN-ILWGZMRPSA-N 440.588 3.396 0 50 IGAA biogenic O=C(CCc1nc(-c2ccncc2)no1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 253414168 WQOFROOHJBTXFK-VMIIQTFKSA-N 433.556 3.486 0 50 IGAA biogenic Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C 253418064 WTJPDAHXGPIMSK-DNVCBOLYSA-N 448.543 3.104 0 50 IGAA CCN(CC)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263616418 INNVRZKLKRSYRK-HXUWFJFHSA-N 428.508 3.014 0 50 IGAA CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)C1 328589358 YHCMACFGQLFBSA-PXNSSMCTSA-N 428.554 3.468 0 50 IGAA C[C@H](c1nc(-c2cccnc2)no1)N1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 2325728610 VEGYJAQHSHHMEI-HZPDHXFCSA-N 432.488 3.016 0 50 IGAA COCc1cc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@H](C)c3ccccc3C)CC2)no1 2332238835 NQEABHHYPLHVQA-MKTHODDLSA-N 447.557 3.162 0 50 IGAA COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 816964 XYSJSKMWVIELIU-UHFFFAOYSA-N 432.542 3.348 0 50 IGAA O=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 4075066 GAPUQWVSPPGFPQ-UHFFFAOYSA-N 434.584 3.244 0 50 IGAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)cc2)cc1 6064728 AUVUEHGQNMHNPW-UHFFFAOYSA-N 439.537 3.300 0 50 IGAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCCN1CCCC1=O 11874277 RCYKJJYOPUAXJD-UHFFFAOYSA-N 430.936 3.254 0 50 IGAA Cc1cc(C)n2nc(C(=O)NC[C@H](C)Oc3cccc(CN4CCSCC4)c3)cc2n1 12181859 XQNZXPJNMCQAJC-SFHVURJKSA-N 439.585 3.092 0 50 IGAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)c1ccc(N3CCCCC3)cc1)C2 14748930 AXTNNLSTIGBZKH-UHFFFAOYSA-N 435.572 3.281 0 50 IGAA Cc1[nH]cnc1CN1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 14752270 WOASHOVZKZEHQA-QHCPKHFHSA-N 436.531 3.330 0 50 IGAA CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)Nc3ccccc3OCC(F)F)[C@@H]2C1 239672488 BTGTVHSVCMCDRF-ZBFHGGJFSA-N 427.448 3.183 0 50 IGAA O=C(c1ccc(N2CCC(NCCc3cccc(F)c3)CC2)cc1)N1CCC[C@H](CO)C1 299755333 HQZSSQBZBBZALV-NRFANRHFSA-N 439.575 3.471 0 50 IGAA O=C(NCC1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 1875252144 LWOALMMZNQMITP-QFIPXVFZSA-N 428.554 3.050 0 50 IGAA COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4cccnc4)c3C)nc1-2 11783677 HZUGFDRNTAZCHG-UHFFFAOYSA-N 426.480 3.070 0 50 IGAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H]1CCSC1)CC2 14539427 HJRBOLRIPVRINV-FQEVSTJZSA-N 430.618 3.275 0 50 IGAA CCn1cc(CN2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)c(C)n1 14746752 UKRONSLBULHGQC-DEOSSOPVSA-N 433.556 3.036 0 50 IGAA CCNC(=O)c1cn(Cc2cccc(OC)c2)cc(C(=O)N2CCCC[C@H]2CC)c1=O 14959354 GPEZRBSXOURSTF-GOSISDBHSA-N 425.529 3.060 0 50 IGAA CCOC(=O)CCN[C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 14984883 JVCQNMBFXIHBMB-QGZVFWFLSA-N 425.554 3.215 0 50 IGAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@H](C)CCn3cccn3)CC2)c1 23620129 BXDJXPOXPJUELL-LJQANCHMSA-N 426.561 3.450 0 50 IGAA CC1=C(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)OCCO1 55308771 ZJGVZQOHKVLVAG-IBGZPJMESA-N 439.478 3.097 0 50 IGAA O=C1NC(=O)C2(CCC(C(=O)Nc3ccc4[nH]c(-c5cc(F)ccc5F)nc4c3)CC2)N1 110678357 JMBVXVZECHFHGH-UHFFFAOYSA-N 439.422 3.215 0 50 IGAA Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1ccc(Sc2ccccn2)cc1 225497029 KBKMECHPHFNZBQ-UHFFFAOYSA-N 436.493 3.367 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 334160583 HXEIHKHFFOBEJW-WMZHIEFXSA-N 426.561 3.438 0 50 IGAA biogenic NC(=O)c1cccc(Oc2ccc(NC(=O)CCNC(=O)c3cc4ccccc4[nH]3)cn2)c1 1352404671 MAJSQARAIQLNIM-UHFFFAOYSA-N 443.463 3.213 0 50 IGAA CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)C2=O)cc1 1447203500 RUDHRTXUAAJRAL-QHCPKHFHSA-N 449.551 3.399 0 50 IGAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cs2)n1 1704357347 QINOUPMCKHSNDJ-ZIAGYGMSSA-N 437.447 3.039 0 50 IGAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCC[C@H](OC(F)F)C1 1875258460 KVGVYWBJSZSJDV-KBPBESRZSA-N 437.365 3.104 0 50 IGAA COc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc(Cc4ccno4)no3)c2)cc1 2325735934 BFPPOIHEIADLDT-UHFFFAOYSA-N 426.454 3.149 0 50 IGAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1C 2880009 ZPDLIYNGCJZZQC-SFHVURJKSA-N 443.569 3.333 0 50 IGAA Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4F)C3)ccc21 8609561 CNSHLZHANGRFAE-GOSISDBHSA-N 429.517 3.035 0 50 IGAA aggregator O=C(NC[C@@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)c1cc(F)cc(F)c1 12100034 VCTAFVLDARLDET-NRFANRHFSA-N 428.479 3.478 0 50 IGAA CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1 12411045 ZXQJDSKNYVPRNR-FQEVSTJZSA-N 440.496 3.190 0 50 IGAA C/C=C(\C)C(=O)N1CCC([C@]2(Cc3ccccc3Cl)NC(=O)N(CCOC)C2=O)CC1 14878646 MNXBUXJSUUZLHN-CGTUSXLRSA-N 447.963 3.024 0 50 IGAA CC[C@@H](C)CC(=O)N1CCC([C@@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1 14879177 PTSNDHCTHTXKMK-IVZQSRNASA-N 434.606 3.369 0 50 IGAA CCOC(=O)N1CCN([C@@H]2CCCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)CC1 20538748 FTMWWCLVAOJTSB-RUZDIDTESA-N 440.632 3.383 0 50 IGAA Cc1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1C 169757898 SIMNRZLQSOYFSB-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2COc3ccc(Br)cc32)c(F)c1 225393657 YTHYVGHAAGFQID-AWEZNQCLSA-N 428.279 3.019 0 50 IGAA O=C1CC(C(=O)NC2CCN(c3ccccn3)CC2)(c2cccc(Br)c2)C1 225503432 MANWSNKNHOMOBW-UHFFFAOYSA-N 428.330 3.230 0 50 IGAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1)c1ccc(-n2cncn2)c(F)c1 229896635 OKETZCHOUHTASJ-KLDKWKSESA-N 434.471 3.294 0 50 IGAA COC(=O)c1cc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)cc2[nH]ccc12 239351944 AAVULQUWRGFDEL-IBGZPJMESA-N 447.488 3.035 0 50 IGAA COc1ccc2cc([C@H](C)C(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc2c1 241171068 KDYZPHXASCSUQK-XUEUYAKLSA-N 431.554 3.147 0 50 IGAA COc1ccc(CCNC(=O)[C@H]2CC[C@H](Cn3c(O)nc4ccccc4c3=O)CC2)cc1 245256354 PNDPWIKYVHSQSW-WGSAOQKQSA-N 435.524 3.276 0 50 IGAA COC(=O)[C@](C)(CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 429090537 BAMZHTFUUGTJLU-NYQDVAGCSA-N 427.520 3.391 0 50 IGAA C[C@@H](O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 444383296 OLGUFYREQZLDFW-GOSISDBHSA-N 438.959 3.260 0 50 IGAA O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)Nc1cc([C@@H]2CCCOC2)[nH]n1 471250061 LJMGUAGEQDMKEB-MRXNPFEDSA-N 429.546 3.066 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1OC 1136973 IIDGLAWZCKQDLW-UHFFFAOYSA-N 440.468 3.021 0 50 IGAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cnccn3)c2)s1 11698478 GBCYHIDWRBLOBY-IBGZPJMESA-N 436.541 3.256 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1C(F)(F)F)C2 14733530 YBPCPQRFHPZDSR-OAHLLOKOSA-N 438.519 3.275 0 50 IGAA C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2cnccn2)c1 14981878 XINHLDOXECLEDP-QGZVFWFLSA-N 434.496 3.035 0 50 IGAA COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 65362697 NQZISOBAGGPGLO-UHFFFAOYSA-N 440.548 3.147 0 50 IGAA CCCN1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Br)cc2)OC3)CC1 169759606 LPWWVYHTIRSUHR-LJQANCHMSA-N 433.350 3.085 0 50 IGAA COc1ccccc1CNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760225 RPPAWSKMGAXLSP-UHFFFAOYSA-N 442.519 3.362 0 50 IGAA CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c[nH]1 170614486 APYZTZWUXWAACO-ZDUSSCGKSA-N 425.272 3.137 0 50 IGAA Cc1c(Br)ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239231234 VENFRQYFYMXZHF-GFODJXLSSA-N 443.341 3.448 0 50 IGAA CO[C@H]1CCOc2c(NS(=O)(=O)c3ccc(OCC(=O)O)c(Cl)c3)cccc21 447790009 YDSAEOAGVCRBFZ-HNNXBMFYSA-N 427.862 3.074 0 50 IGAA CCN1Cc2nc(OC)c(CNC(=O)c3ccc(N4CCCC4)c(Cl)c3)cc2C1=O 952968649 HUJMRBGQEJJMFE-UHFFFAOYSA-N 428.920 3.250 0 50 IGAA Cc1ncc(CN(CCN(C)C)C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)[nH]1 1704309210 OEROCVPEYQSPFX-UHFFFAOYSA-N 431.584 3.480 0 50 IGAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3ccc(OCC(=O)N4CCCC4)cc3)C1)CC2 1704315328 ZYBZAEIXJXSOEQ-AREMUKBSSA-N 449.599 3.024 0 50 IGAA COc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)o3)ncn2)cc1 1875357210 XDWNPZBJBRWPTQ-UHFFFAOYSA-N 430.486 3.074 0 50 IGAA CC1(C)Oc2cc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3C(F)(F)F)ccc2NC1=O 2325824075 OKLOEBJVOPXNLD-KRWDZBQOSA-N 447.413 3.128 0 50 IGAA Cc1nn(CC(F)(F)F)cc1C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1conc1C1CCC1 2325827683 NHLJEZCBTMDKDZ-HZPDHXFCSA-N 439.438 3.090 0 50 IGAA Cc1c(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 846495 XNUJOLWSNBYUIF-UHFFFAOYSA-N 448.552 3.091 0 50 IGAA CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 2838263 CPQIKAYWKNXAFC-UHFFFAOYSA-N 437.949 3.131 0 50 IGAA CC(C)n1c([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886024553 AATHGXKEJZESCG-PZJWPPBQSA-N 445.523 3.422 0 50 IGAA CS(=O)(=O)CC1(CN2CC[C@@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)CC1 952894161 QEJJDAXUXCCRFM-GOSISDBHSA-N 447.454 3.206 0 50 IGAA CN(C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H](CO)Cc1ccccc1 1310276479 OAUUQCDTJGDDSB-LEWJYISDSA-N 426.517 3.054 0 50 IGAA CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(OC)cc1)c1ccc2cccnc2c1O)C(N)=O 1848443347 JMHSLWRPAFRVMB-LVWPNOBMSA-N 435.524 3.487 0 50 IGAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)Cc4ccccn4)C3)c3cccc(=O)n32)c1 2356146321 AXHYARVCUUQQFK-NMMYMHLASA-N 429.520 3.224 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 674364 URNGOYAHBOVVLK-UHFFFAOYSA-N 441.347 3.497 0 50 IGAA COCc1c(C(=O)NCCc2cccnc2)cnn1-c1ncc(C)c(-c2cccs2)n1 11913583 YSTROCSXKIRNPD-UHFFFAOYSA-N 434.525 3.213 0 50 IGAA Cc1oc(-c2ccccc2NC(=O)C2CCC2)nc1CNC(=O)Cn1nc2ccccc2n1 14995440 CIDXJWSWQGEOEM-UHFFFAOYSA-N 444.495 3.450 0 50 IGAA O=S1(=O)C[C@H]2CN[C@H]1[C@@H]1[C@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 216547031 FEFYYVWOHFNCLG-OBSUMQDQSA-N 429.541 3.424 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)C1=O 768308892 GLFLSFLCIYPSPA-FVBVUHMPSA-N 439.515 3.309 0 50 IGAA COc1ccc([C@H](O)[C@@H]2CCCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 1875264784 UWDPSDFTIMEFDA-ICSRJNTNSA-N 433.434 3.388 0 50 IGAA CCc1ccc(C(=O)OC)cc1NS(=O)(=O)c1c[nH]c2ncc(Br)cc12 1875336085 ROXUSNIBGRYUPO-UHFFFAOYSA-N 438.303 3.475 0 50 IGAA CN1CCN(c2ccc(F)cc2NC(=O)C(=O)NCc2cc3ccccc3s2)CC1 2325711039 MZTJUOPAAUFABR-UHFFFAOYSA-N 426.517 3.047 0 50 IGAA O=C(O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 2864593 OJCXQTMETLHCIQ-UHFFFAOYSA-N 440.433 3.136 0 50 IGAA CN1CCC(CCNCc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)CC1 12314770 VBDXXWFJXUCULH-VWLOTQADSA-N 425.617 3.380 0 50 IGAA COc1ccc(CCNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC3CC3)c2=O)cc1 14955518 IHMRLCBANVWGAU-UHFFFAOYSA-N 437.540 3.227 0 50 IGAA COC(=O)c1c(NC(=O)CSc2nnc(-c3ccccn3)n2C)sc2c1CCCC2 19638674 FKZBXUZIGKCTAU-UHFFFAOYSA-N 443.554 3.335 0 50 IGAA O=c1c(CN2CCN(CCO)CC2)cc2ccc(F)cc2n1CCSc1ccccc1 20999223 DMPOSVZVRIPRCX-UHFFFAOYSA-N 441.572 3.043 0 50 IGAA CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 225453413 OSXSYJVRGAVTDW-FPOVZHCZSA-N 439.560 3.229 0 50 IGAA COc1ccc(CN2CCOc3ccc(C4(O)CCN(C)CC4)cc3C2)c(OC)c1C 299766625 FLLDDNGTDCICGQ-UHFFFAOYSA-N 426.557 3.320 0 50 IGAA CC(=O)NCCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1)[C@@H]1CCSC1 1875252585 MKTOBLVSSNJJID-CYBMUJFWSA-N 426.464 3.179 0 50 IGAA COc1ccc(-c2nc(C[C@H]3COCCO3)n(-c3cncc(Br)c3)n2)cc1 1875341433 SRFFGPVMYXCWAL-KRWDZBQOSA-N 431.290 3.058 0 50 IGAA C[C@H](CCCO)CNc1ccc(S(=O)(=O)NCc2cccc3c2cnn3C)cc1F 1875342813 IJVOILKHBXWOQP-OAHLLOKOSA-N 434.537 3.011 0 50 IGAA CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1nc2ccccc2s1 1875362867 XFAZLLYUIWTQIV-HNNXBMFYSA-N 447.567 3.243 0 50 IGAA CCCC1(C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)[C@H](CC)OC)CC3)C2)CCC1 2332238244 IWZYMICVAQNXFJ-RJYNNWORSA-N 442.622 3.204 0 50 IGAA O=C(/C=C/c1c[nH]cn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 11664329 OTEAHNKXPMBITC-VQKOGROQSA-N 426.536 3.482 0 50 IGAA O=C(NCc1cccc(F)c1F)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1 12041091 OMLMJNMBXWYHQH-UHFFFAOYSA-N 440.450 3.446 0 50 IGAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)ccc1O 12377915 MJZCHUYGOTXWQZ-RLFYNMQTSA-N 444.793 3.158 0 50 IGAA Cc1noc(C)c1CCC(=O)N1CC(=O)N(C(C)C)C[C@@H](OCc2ccc(F)cc2)C1 14532876 ITAWGBDGSHJQLN-FQEVSTJZSA-N 431.508 3.028 0 50 IGAA O=C(NCCc1cn2c(n1)SCC2)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 170596869 GYGAMGONVCGEMV-UHFFFAOYSA-N 440.529 3.410 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCc2ccc3[nH]ccc3c2)C1=O 225686703 JENVFXGBGHVYBB-AREMUKBSSA-N 440.503 3.447 0 50 IGAA OC[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccn2-c2ccccn2)CCO3)C1 299781587 DRAZNAPLQZSIDF-JOCHJYFZSA-N 432.568 3.471 0 50 IGAA O=C(OCCCn1c(O)nc2ccccc2c1=O)c1ccc(-c2noc(C(F)F)n2)cc1 328596684 PQMDLDOBKADQMG-UHFFFAOYSA-N 442.378 3.337 0 50 IGAA O=C(CCc1nc(-c2ccncc2)no1)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942400 IDSYNCZHSNENCK-IRJFHVNHSA-N 445.523 3.395 0 50 IGAA O=C(CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 1875341284 NPVMHJWFHXZFMM-AWEZNQCLSA-N 442.882 3.193 0 50 IGAA CN(Cc1cnc(-c2ccc(Cl)cc2)nc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 2325718822 LYZSGFUWRRQHOW-UHFFFAOYSA-N 448.914 3.326 0 50 IGAA Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CNC(=O)c1cc2c(s1)CCC2 2325721580 UKPWQBQMQMSRGO-UHFFFAOYSA-N 443.594 3.103 0 50 IGAA CCN(CCCC1CCN(c2ncnc3c(C)[nH]nc23)CC1)c1ncnc2c(C)[nH]nc12 2325723881 GROLCGVQSDKQGX-UHFFFAOYSA-N 434.552 3.159 0 50 IGAA COc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3cccc(C)c3)n2C)cc1 1119313 SBGRWHGHSRUCFF-OAHLLOKOSA-N 439.541 3.354 0 50 IGAA CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 11812755 RUQRXOHAZDDRRH-HSZRJFAPSA-N 437.540 3.406 0 50 IGAA CCn1cc(CNC(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)cn1 12225197 LANKBWLYQXSCRZ-FQEVSTJZSA-N 430.556 3.382 0 50 IGAA Cc1cnc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)cn1 14970037 RWJZDEZFQHFWOJ-NRFANRHFSA-N 426.536 3.458 0 50 IGAA COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3cccc(Cl)c3C)n2)CC1 54274354 SZQAAOXKWXLBOM-UHFFFAOYSA-N 439.951 3.490 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100552476 VCCWHHGUULHSED-KLDKWKSESA-N 431.444 3.046 0 50 IGAA O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169778128 BOUSWEHODXERKH-CYBMUJFWSA-N 434.378 3.191 0 50 IGAA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4C(=O)O)N(c4ccccc4)O[C@H]3C2=O)cc1 230036400 IJYVDSXEAORJEH-BHDDXSALSA-N 444.443 3.445 0 50 IGAA CCOC(=O)C1=C(CN(Cc2cccs2)C[C@H]2CCCO2)NC(=O)N[C@H]1c1ccco1 240668539 HNFLNDNMXUHNJQ-QRWLVFNGSA-N 445.541 3.193 0 50 IGAA C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 241653372 PUODMZKEKAFXMY-WCVJEAGWSA-N 448.054 3.037 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4cc(OC)ccc4OC)ccn3n2)cc1 263617134 MENZKCFPTVZMPI-JOCHJYFZSA-N 435.480 3.313 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)C1(N2CCCC2)CCCC1 299786437 UFFPJXRCRBXLRX-JOCHJYFZSA-N 426.605 3.120 0 50 IGAA O=C(Cc1ccc(Cl)cc1)N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1 334159180 VOAIQWDNTFUIJV-GOSISDBHSA-N 429.929 3.166 0 50 IGAA C[C@H](NS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1)c1ccccc1-n1cccn1 822273957 DOURQPZVECKUQT-ZDUSSCGKSA-N 425.470 3.432 0 50 IGAA CC(C)NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2C(=O)c1cccc(-n2cnnc2)c1 1704312858 CZVWMIAVZWOJCD-UMFSSWHCSA-N 443.551 3.398 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)nc4ccc(Cl)cc34)CC2)cc1 1875257382 RRGSFKCNKAKFKV-UHFFFAOYSA-N 445.928 3.049 0 50 IGAA O=C(NC[C@@H]1CCCC2(CCC2)O1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301658 OMMYRYSETUVFPU-IRXDYDNUSA-N 441.450 3.482 0 50 IGAA CNC(=O)CN(C)c1nc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cc2[nH]1 2325744292 LFGLQCBHRLXQDY-UHFFFAOYSA-N 430.468 3.185 0 50 IGAA O=C(Nc1ccc(C(=O)N[C@@H]2c3cccc(O)c3C[C@H]2C(=O)O)c(Cl)c1)NC1CC1 2325898456 DCWUYIIPJAIWML-CRAIPNDOSA-N 429.860 3.058 0 50 IGAA COC(=O)c1c(NC(=O)CSc2nnc(Cn3nccc3C)o2)sc2c1CCCC2 2731493 PPTXFUITQKSLOI-UHFFFAOYSA-N 447.542 3.081 0 50 IGAA CCCOc1ccc(N2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 4572945 WVRRFCXQNRRNBM-GOSISDBHSA-N 426.513 3.204 0 50 IGAA COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccccc3OC)c(C)o2)cc1 8597433 JPIYQEVPBNTRMI-PMERELPUSA-N 428.510 3.232 0 50 IGAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cc3c(cc2Br)OCO3)CC(=O)N1 8671487 WTSUEUPXYJYEDM-CYBMUJFWSA-N 440.290 3.024 0 50 IGAA Cc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)CCCC(=O)O 9673739 VIUWCMGPLWOSBP-FQEVSTJZSA-N 443.525 3.299 0 50 IGAA COc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c(C)c1C 12022511 JGFRGZBXKXOSDJ-OAQYLSRUSA-N 440.588 3.298 0 50 IGAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(Cl)cc1 169755602 ZISAQNOJPZFHAP-UHFFFAOYSA-N 426.835 3.087 0 50 IGAA COc1ccc(-c2noc(CCCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)n2)cc1OC 230207737 GEMVQONVDFUQKH-OALUTQOASA-N 442.560 3.457 0 50 IGAA biogenic COc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 239339288 LYODWEBUBQTHHF-BECHRVIWSA-N 428.488 3.353 0 50 IGAA CC[C@H](C)[C@@H](NC(=O)C[C@H]1N=C(O)N(c2ccc(OC)cc2)C1=O)c1nc2ccccc2[nH]1 252505080 VNXLDEXLSCWKGS-UQIDSAAFSA-N 449.511 3.494 0 50 IGAA Brc1ccc([C@H](NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1 252510625 AUXAODPUCOYIMH-DSKINZAPSA-N 435.362 3.458 0 50 IGAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1875249614 JFKJQUUUTGWXRQ-KNQAVFIVSA-N 426.476 3.474 0 50 IGAA NC(=O)Cc1ccc(CNC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 1875260642 KGPNNSOVFRYNHV-UHFFFAOYSA-N 435.524 3.023 0 50 IGAA O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 653483 ZASWVYOACYDFNT-MRXNPFEDSA-N 449.202 3.115 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 1151166 JLSRWPYUPRCYRM-UHFFFAOYSA-N 436.486 3.436 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1/C=c1\sc2n(c1=O)[C@H]1C[C@@](C)(N=2)Oc2ccccc21 2800096 ZJHMWQDOOHFRHJ-NMVVOVCYSA-N 442.544 3.262 0 50 IGAA COC(=O)CCC(=O)NC[C@@H]1Cc2cc(-c3cc(OC)ccc3OC)cc(Cl)c2O1 11788550 WYUMWRCSHJMKOP-INIZCTEOSA-N 433.888 3.397 0 50 IGAA COc1ccc(CNC(=O)CC[C@@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)c(OC)c1 11814383 MKFAKYBVLKIGTR-DEOSSOPVSA-N 444.503 3.139 0 50 IGAA Cc1ccccc1[C@@]1(CC(=O)N(C)C[C@H]2CCCCO2)CC(=O)N(Cc2ccncc2)C1=O 14881716 SFACVPRSKNLMHC-QFQXNSOFSA-N 449.551 3.005 0 50 IGAA O=C(COc1ccc(Cl)cc1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 169770363 JCQFVTLEOAOGRK-UHFFFAOYSA-N 444.894 3.197 0 50 IGAA Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)c1C 229575041 LSARCXOTFHRBAO-RQNQAMLKSA-N 440.632 3.191 0 50 IGAA COCCn1ccc2c(OCC(=O)Nc3cccc(-c4nc(COC)n[nH]4)c3)cccc21 263588604 WCMZXPZFFUGOOU-UHFFFAOYSA-N 435.484 3.237 0 50 IGAA O=C1c2ccccc2[C@H](N2CCCC2)N1CCN1C(=O)c2ccccc2[C@@H]1N1CCCC1 334163414 RGSFWTOSLCMGQX-DNQXCXABSA-N 430.552 3.487 0 50 IGAA O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCOc2c(Cl)cc(Br)cc21 464661558 FINFGDITEMLFBM-NSHDSACASA-N 434.739 3.043 0 50 IGAA O=C1CCc2cc(NC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)ccc2N1 468763805 AKRDWUZIMORFOI-LJQANCHMSA-N 428.439 3.162 0 50 IGAA CC(C)C[C@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1nc(-c2nc[nH]n2)no1 487621508 HRTBXRZUMHQUFW-ZDUSSCGKSA-N 444.439 3.080 0 50 IGAA COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccn5)CC4)c3C2=O)cc1 824669796 ZRYLGWBVXXQCTI-UHFFFAOYSA-N 442.519 3.209 0 50 IGAA COC(=O)c1cc(Cl)c(NC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1OC 1875255610 YJYKMZGWAAJWRE-INIZCTEOSA-N 438.786 3.095 0 50 IGAA CC1(C)CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1CNC(=O)c1cnnc(O)c1 1875359830 QVNFTVARWKQVSH-HNNXBMFYSA-N 441.919 3.235 0 50 IGAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@@]12CCCN2Cc1cc(O)c2cccc(F)c2n1 2356162649 HRHZMLHWBWFOEV-XFAGBWLFSA-N 427.520 3.340 0 50 IGAA O=C(NC(=S)NCc1cccnc1)c1cc(I)ccc1Cl 724284 NPPZXHGKPHHNIB-UHFFFAOYSA-N 431.686 3.144 0 50 IGAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)ccc2OC)c1 1139451 HPZBDZHIQQDIRN-HXUWFJFHSA-N 443.525 3.153 0 50 IGAA CCCS(=O)(=O)c1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)n1C[C@@H]1CCCO1 11935075 SRHHXHZBQWQVKQ-FQEVSTJZSA-N 448.564 3.498 0 50 IGAA CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)Cc5cccc(F)c5)n4CC3)[C@@H]1C2 11978385 VLZRFEUFZZLGFV-FPOVZHCZSA-N 437.563 3.127 0 50 IGAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2nonc2C)CC1 12301637 AEIXNNYJQKYMJT-JOCHJYFZSA-N 426.561 3.149 0 50 IGAA O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 14880123 YFKPIWAGYHROKQ-UHFFFAOYSA-N 433.487 3.081 0 50 IGAA COc1cc(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc(OC)c1OC 19781808 UIJGCQYKSNVUFM-UHFFFAOYSA-N 446.544 3.056 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)CCc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 20388584 HJNRDBABTADXPW-RUZDIDTESA-N 448.611 3.377 0 50 IGAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 40287577 YGFBMUNYCKIDLZ-UHFFFAOYSA-N 426.879 3.052 0 50 IGAA CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1C=Nc2ccccc2S1(=O)=O 116540220 CWCVUTHLYNPHJS-UHFFFAOYSA-N 449.554 3.426 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)nn1 726533869 MWMAVMTYALMTSQ-MSOLQXFVSA-N 426.521 3.057 0 50 IGAA CC(C)(C)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc3cnccc23)cc1 744109435 UONNRAOSRLXNKW-UHFFFAOYSA-N 425.510 3.129 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2(c3ccc(C)cc3)CC2)C1 1857705438 HTFSJJUAEBTCJC-GIFXNVAJSA-N 425.617 3.313 0 50 IGAA O=C(c1cccn2cnnc12)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857707289 LUJSSCSWDJIVPR-OAQYLSRUSA-N 433.556 3.441 0 50 IGAA O=c1cc(-c2ccccc2)nc2[nH]c(-c3nc(CC4CCC4)nn3C3CCOCC3)nn12 1875348020 FZYILKJVTOZRLL-UHFFFAOYSA-N 431.500 3.037 0 50 IGAA CCc1ccc(OCC(=O)NS(=O)(=O)c2csc(-c3ccccc3)n2)c(OC)c1 2325866349 HZOXTNPTMYUKEV-UHFFFAOYSA-N 432.523 3.265 0 50 IGAA O=C(N[C@H]1CCCc2cnccc21)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 2325876268 OXXAYEINFAOTNM-FCHUYYIVSA-N 439.512 3.434 0 50 IGAA Cc1ccc(S(=O)(=O)NCc2ccccc2CNS(=O)(=O)c2ccc(C)cc2)cc1 638925 YOKCEMBYLIXIHU-UHFFFAOYSA-N 444.578 3.260 0 50 IGAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2cccc(Cl)c2)CC1 937546 MXYFRBZKYMYLFP-UHFFFAOYSA-N 447.988 3.477 0 50 IGAA COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1OC 1123528 LIEJGJNBRXOLEQ-INIZCTEOSA-N 447.944 3.314 0 50 IGAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 4195913 IBGUAUZZMLDYFF-UXHICEINSA-N 440.521 3.434 0 50 IGAA O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cc(F)ccc1F 8601834 ZWAIKIOBDAINSN-SFHVURJKSA-N 427.450 3.051 0 50 IGAA CCOc1cc(CN2CCOc3ccc(CN4CCC(O)CC4)cc3C2)ccc1OC 11814617 OHFFQECGSQYRSD-UHFFFAOYSA-N 426.557 3.445 0 50 IGAA COc1cccc(CCNc2ncnc3sc(C(=O)N4CC[C@H](N(C)C)C4)c(C)c23)c1 12049220 OJNHZSZQHYFCHW-KRWDZBQOSA-N 439.585 3.439 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 13594282 ACLUVOXSFQDMNJ-IBGZPJMESA-N 437.540 3.186 0 50 IGAA CCCOc1c(OC)cccc1C1C(C(=O)OC)=CN(C[C@H]2CCCO2)C=C1C(=O)OC 16393051 ZYBHUPOGEKVDBR-MRXNPFEDSA-N 445.512 3.176 0 50 IGAA COc1ccc(CN2CCN(CC3CC3)CC2)cc1OC[C@H](O)CN1CCCCCCC1 20453877 VRHVVFJBXQMBAI-XMMPIXPASA-N 445.648 3.229 0 50 IGAA COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(Cc1ccccc1)CC2 20598645 BOXVCVABTQNJTL-SFHVURJKSA-N 435.524 3.341 0 50 IGAA COc1ccccc1[C@@H]1CN(CC(=O)NCCn2nc(C)cc2C)Cc2ccccc2O1 39354696 ULXJJYUIXGEORO-DEOSSOPVSA-N 434.540 3.261 0 50 IGAA O=C(CCn1cnc2ccccc21)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55414649 AMUHAFGDWBKPDQ-JOCHJYFZSA-N 435.547 3.379 0 50 IGAA COc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cccc(Br)c3)C2=O)cc1 100277516 LUQIGSBMKSXTKE-MRXNPFEDSA-N 449.326 3.462 0 50 IGAA CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 117258511 RHQUZBOIQVHUSC-OAHLLOKOSA-N 449.504 3.434 0 50 IGAA Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(C2CCOCC2)C[C@H]1C 225609397 YNZASQNWTMXSMT-QGZVFWFLSA-N 435.572 3.144 0 50 IGAA O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCC2 225764511 FCMMJIAODKQJRQ-KNCCTNLNSA-N 432.542 3.116 0 50 IGAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1C[C@H](n2cccn2)Cc2ccccc21 464419894 LMQMXGMQZNTDOC-HXUWFJFHSA-N 436.537 3.112 0 50 IGAA Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)cc1 727392128 ZGPMAFFPKIBBJG-QFIPXVFZSA-N 445.563 3.258 0 50 IGAA CN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H](C(=O)O)c1ccccc1 767021287 FKPITKFHRKTSPY-OAQYLSRUSA-N 438.505 3.063 0 50 IGAA Cc1cccc(-n2cnc3cc(C(=O)NCc4cc(S(N)(=O)=O)ccc4F)ccc32)c1 1300290418 JNUJGWCIAGNFGA-UHFFFAOYSA-N 438.484 3.050 0 50 IGAA CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)C1=O 1506428363 YZECKARKIQLJEH-GOSISDBHSA-N 440.500 3.214 0 50 IGAA CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2nncs2)C1 1875254847 AHISCQBPWGFIFK-JSGCOSHPSA-N 441.513 3.165 0 50 IGAA O=C(CCNC(=O)c1c[nH]c2ccccc12)NCc1ccc(NC(=O)c2ccncc2)cc1 1875258205 UOYWTQZKGGFAHN-UHFFFAOYSA-N 441.491 3.252 0 50 IGAA COc1ccnc(NC2CCN(C(=O)[C@H]3CCn4c(cnc4-c4ccccc4)C3)CC2)n1 1875261463 SYTYZWLOIOQVRO-SFHVURJKSA-N 432.528 3.014 0 50 IGAA CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12 796292 FMFLIDLNVGENCI-UHFFFAOYSA-N 425.492 3.261 0 50 IGAA COc1ccc(Br)cc1CN1CCN(C(=O)COc2ccc(C)cc2)CC1 19789472 MSNHCFSRNIWRAI-UHFFFAOYSA-N 433.346 3.489 0 50 IGAA O=C(c1ccccc1-n1cccn1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55211136 YWSTXSJGBHEZHL-FQEVSTJZSA-N 433.531 3.438 0 50 IGAA CC[C@@]1(C)NC(=O)N(NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1=O 225554435 WYBVZKQTTBINJW-GOSISDBHSA-N 433.262 3.002 0 50 IGAA CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCOC[C@@H]2c2cccn2C)cc1 463404785 NLPWPAJZEDGAKG-HXUWFJFHSA-N 425.558 3.421 0 50 IGAA O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21 475488697 WWJBMQOHKAHQES-QFIPXVFZSA-N 434.517 3.043 0 50 IGAA Cc1cccc(N2CCN(CC(=O)N3CCC[C@H](c4nc(CC(C)C)no4)C3)CC2)c1 1506428167 NQIXVJMIPHRVFB-FQEVSTJZSA-N 425.577 3.105 0 50 IGAA C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc21 1859515278 PYMRQUDFYCZAII-LLVKDONJSA-N 432.461 3.100 0 50 IGAA CNC(=O)[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(F)c(F)c1 1875254696 MDMROKBZMQUZFE-LIRRHRJNSA-N 444.507 3.394 0 50 IGAA Cc1nc([C@@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1 1875260081 PJAWRJAZFIKEFX-GUYCJALGSA-N 435.406 3.250 0 50 IGAA C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C(=O)c2ccccc2Cl)CC1 1875341515 WFQKPWLAWFKCRC-AWEZNQCLSA-N 438.919 3.442 0 50 IGAA CO[C@H](CC(C)C)C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@@H]2CCc3ccccc3C2)CC1 2332238686 HUNNLLXAZRJFMQ-GVAAONNMSA-N 448.629 3.468 0 50 IGAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Br)cc1 2502878 FGAKUBOQCJBHEU-INIZCTEOSA-N 439.331 3.289 0 50 IGAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccc(F)cc2)CC1 8433187 KCSIDHSZDHSXSA-UHFFFAOYSA-N 431.467 3.314 0 50 IGAA O=C(NC[C@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)O1)c1cc(F)cc(F)c1 12100035 VCTAFVLDARLDET-OAQYLSRUSA-N 428.479 3.478 0 50 IGAA O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccccc2F)CC1 19867842 CTUFVSMQHIDQAV-CQSZACIVSA-N 445.279 3.428 0 50 IGAA COc1ccc(CN2CCN(C3CCCCC3)CC2)cc1OC[C@H](O)CN1CCCCC1 20455125 YXIBZJVLDVYQAS-XMMPIXPASA-N 445.648 3.371 0 50 IGAA C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@@]2(CCCOC2)O1 225471365 QNAYRCLPYYPBPP-JLTOFOAXSA-N 426.435 3.242 0 50 IGAA CCOc1ccc(-c2nc3sc(=Cc4cc(C)c(OC(C)=O)c(C)c4)c(=O)n3n2)cc1 254751032 YAAZZGSKGGSVKS-UHFFFAOYSA-N 435.505 3.307 0 50 IGAA O=C(CCn1c(S)nc2ccccc2c1=O)N(CCc1ccccn1)Cc1ccncc1 328591342 KZUROSJBLGXALI-UHFFFAOYSA-N 445.548 3.137 0 50 IGAA COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 334160434 DSQWDBHAFHLYDC-OAQYLSRUSA-N 432.480 3.230 0 50 IGAA C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4n[nH]c5c4CCCCC5)CC3)cc2NC1=O 476013750 RBFWNZNWRCSIFV-AWEZNQCLSA-N 436.512 3.133 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)c1 484301298 GYYRQVWMKOXDIP-OAQYLSRUSA-N 445.567 3.381 0 50 IGAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1 489103538 PDIKXRADXGLHMP-UHFFFAOYSA-N 444.413 3.352 0 50 IGAA CCc1cc2oc(=O)cc(COC(=O)c3cnc4c(c3)c(C)nn4CCO)c2cc1Cl 749408394 KRJIQDGLXKCRES-UHFFFAOYSA-N 441.871 3.411 0 50 IGAA O=C(O)CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 916577125 KPBJBFKQCKUZTM-UHFFFAOYSA-N 448.516 3.164 0 50 IGAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(C(=O)CCS(C)(=O)=O)CC2 952983210 OOMNZZQRGOJTJD-HSZRJFAPSA-N 431.554 3.393 0 50 IGAA CCCOc1ccccc1CNC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(CC)C2 1857690913 URPCXGFJASQXOF-MVERNJQCSA-N 443.632 3.305 0 50 IGAA COc1ccc(OC)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 817226 NLRAPWDUMXTEEF-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(N(C)C)cc1 1460093 PLJHZMFDXTUSGY-XWRIVVANSA-N 440.540 3.317 0 50 IGAA Cc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1772544 QTAQTUBFQZGYIO-UHFFFAOYSA-N 426.498 3.384 0 50 IGAA Cc1cc(Cl)ccc1OCC(=O)NCCNC(=O)COc1ccc(Cl)cc1C 2133821 AEVREWRKGXNKRM-UHFFFAOYSA-N 425.312 3.300 0 50 IGAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3ccco3)C2)c1 14533005 DPGSVYRWECBAAK-QHCPKHFHSA-N 448.519 3.401 0 50 IGAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(OC(C)C)cc2)CC3)cc1 14997721 PLHUXLAKZYEFJF-UHFFFAOYSA-N 447.583 3.405 0 50 IGAA CCc1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758984 KYQPOQSAQSQBLM-FQEVSTJZSA-N 425.872 3.418 0 50 IGAA CCSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 170621906 FCRPAYVNXXXNRJ-VKDGWMQASA-N 435.549 3.063 0 50 IGAA C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 221905215 HEKOXWIARBTNSP-XNJGSVPQSA-N 443.491 3.313 0 50 IGAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 239174009 PCOVMCMQBLVGSA-BFOXXBLFSA-N 441.483 3.133 0 50 IGAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 247854341 XFFVODIUDCYXEW-RTXPOLOASA-N 439.874 3.219 0 50 IGAA Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 253420451 YADPUETTZDIPNY-DOTOQJQBSA-N 431.562 3.182 0 50 IGAA CCOc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C3=C2C(=O)OC3)cc1 263619041 WPRLVWFOTSAPBX-QHCPKHFHSA-N 447.491 3.290 0 50 IGAA Cc1ccc2c(C(=O)N[C@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)csc2c1 480023298 ZDPRNNCRWIJUKU-KRWDZBQOSA-N 437.569 3.235 0 50 IGAA CC[C@@H]1NC(=O)N(c2cccc(NC(=O)NCCNc3nc4ccccc4s3)c2)C1=O 1466694177 FBLQNHVQWKELBE-HNNXBMFYSA-N 438.513 3.365 0 50 IGAA Cc1ccc2cc1OCCCn1cc(nn1)COc1ccc(cc1)CN(C)CCN(C)C2=O 1704317189 HLDQETZOSLQINE-UHFFFAOYSA-N 449.555 3.152 0 50 IGAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(C(=O)c1cnc3cnn(C)c3c1)CC2 2100473770 YSEPXURJFLLFRA-HSZRJFAPSA-N 429.480 3.168 0 50 IGAA O=c1ccc(S(=O)(=O)c2ccccc2)nn1Cc1cn2cc(Cl)cc(Cl)c2n1 2325723471 ARDHJRNVFFTZLD-UHFFFAOYSA-N 435.292 3.079 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2F)cc1 780784 NTBYJGLFOGIBOF-UHFFFAOYSA-N 427.501 3.036 0 50 IGAA COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 1052454 WUIDUZRXCRTKBU-QGZVFWFLSA-N 446.912 3.439 0 50 IGAA COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl 2682847 NQGITEXOGZPSNZ-CYBMUJFWSA-N 426.753 3.228 0 50 IGAA O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 2721816 ZXOCZDUPKFCCOV-CQSZACIVSA-N 448.522 3.155 0 50 IGAA COc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2cc1OC 8583904 CNKOZKUHDYIDGA-UHFFFAOYSA-N 447.538 3.350 0 50 IGAA O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCOCC1)NCc1ccccc1F 11783301 GRUBKGMVOINGLC-UKILVPOCSA-N 439.575 3.445 0 50 IGAA CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1ccc(OC)cc1 12412556 KKYUGJOBFIQPSO-HXUWFJFHSA-N 429.904 3.310 0 50 IGAA COc1ccccc1[C@@]1(CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC(=O)N(C)C1=O 14879543 RSQXRHWKIAGXBI-BUSSHWHTSA-N 438.568 3.387 0 50 IGAA Cn1c(CCNC(=O)Cc2cccc(C(F)(F)F)c2)nnc1SC[C@H]1CCCO1 14986948 WZKGKZGCVANAOQ-OAHLLOKOSA-N 428.480 3.006 0 50 IGAA COc1ccc(O)c(NC(=S)NC(=O)c2ccc(I)cc2)c1 16215368 FONAMCOBHWMJSB-UHFFFAOYSA-N 428.251 3.132 0 50 IGAA CSc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCCC1 16650012 FXHRGJMLAZVUHQ-UHFFFAOYSA-N 445.610 3.155 0 50 IGAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1 20351447 NOESCTQIRDAMOK-DEOSSOPVSA-N 439.648 3.435 0 50 IGAA COc1ccc(CN2CCN(Cc3nccn3-c3cccc(C)c3)C[C@H]2CCO)c(F)c1 39445440 MUFRPWNZMHMUFT-JOCHJYFZSA-N 438.547 3.397 0 50 IGAA COCCC1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 82126957 CLPIBQDTRJRLAR-HSZRJFAPSA-N 428.621 3.033 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)Nc1cc(F)ccc1F 169758048 LQGWDLBYEMDVOS-SFHVURJKSA-N 433.798 3.134 0 50 IGAA CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)CN1CSCC1=O)C1CC1 225430873 ICAQKYBLOVZKJD-QGZVFWFLSA-N 431.341 3.122 0 50 IGAA CC(C)[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)C(=O)N1CCc2sccc2C1 750580478 ZMDTUSXHLXOZII-XOBRGWDASA-N 441.553 3.291 0 50 IGAA CCCCN1CC[C@]23C(=O)N(CC(=O)NCCCOc4cccc(c4)[C@H]12)c1ccccc13 952864708 LMRLOLAMOHVPGP-AZGAKELHSA-N 433.552 3.417 0 50 IGAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 952971114 WVKUXORKBNFWLP-SFHVURJKSA-N 434.496 3.455 0 50 IGAA Cc1ccc(NC(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)cc1S(=O)(=O)NC1CC1 1875301773 UEVGRRSCYKNKHL-HXUWFJFHSA-N 440.569 3.452 0 50 IGAA O=C(c1cc(Oc2ccccc2)ccc1O)N1C[C@H](N2CCc3ccccc3C2)[C@H](O)C1 2325841443 VHXKLCCABVVJHJ-UKILVPOCSA-N 430.504 3.428 0 50 IGAA O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 1839884 GYDYNQYLAKXDHL-PDGQHHTCSA-N 444.447 3.014 0 50 IGAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OC)cc2OC)C1=O 6491899 LZLSCBDKVQNBFS-AWNIVKPZSA-N 430.276 3.066 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2c3c(nn2C)CCCC3)C1 11821176 JPYYXSXEHLTWAP-IBGZPJMESA-N 437.588 3.027 0 50 IGAA COc1ccc(-c2noc(CN3CCC([C@@H](O)c4ccccn4)CC3)n2)c(OC)c1OC 12429415 DSJLPKBVXXKUSZ-HXUWFJFHSA-N 440.500 3.103 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1 13896610 MXIOUDDJMZDDEL-UHFFFAOYSA-N 430.526 3.211 0 50 IGAA Cc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)CN(CCc3ccccc3)C2)cc1 14533895 UBCDQCCYMFORIR-CLJLJLNGSA-N 435.612 3.124 0 50 IGAA COC(=O)CC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 20916304 DJVHJTHNKFJKBP-AZUAARDMSA-N 427.511 3.097 0 50 IGAA O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@H](c2cccc(F)c2)C1 225548773 KNBOUZBBPSWNAD-AWEZNQCLSA-N 433.277 3.330 0 50 IGAA O=C(Cc1ccc(Cl)cc1)N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1 334159181 VOAIQWDNTFUIJV-SFHVURJKSA-N 429.929 3.166 0 50 IGAA COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)n(C)c1=O 824134597 PHGHQGYXEJLPKM-MRXNPFEDSA-N 425.437 3.141 0 50 IGAA biogenic O=C1CCOC2(CCN(C(=O)c3cccc(O)n3)CC2)CN1CCCCc1ccccc1 1704308735 ITYWUNUDOPDVHQ-UHFFFAOYSA-N 437.540 3.034 0 50 IGAA CSCC(=O)N1C[C@@H]2CN(c3ccnc4ccc(Cl)cc34)C[C@@]2(CCC(=O)O)C1 1800411095 FGZINKPLWKTTIF-QKKBWIMNSA-N 433.961 3.381 0 50 IGAA CC(C)CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 1875261654 GHGBXLVAGCDYEC-UHFFFAOYSA-N 435.489 3.354 0 50 IGAA O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](Cn2cc(CCc3ccccc3)nn2)C1 1875334038 WBEJQIVFDVYJLH-JOCHJYFZSA-N 440.931 3.023 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 1213767 UVFIRIWSXWHAAU-RJKLFALQSA-N 446.528 3.082 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1cccs1 2492101 LAZYUSMLIZUMKZ-AAEUAGOBSA-N 436.555 3.098 0 50 IGAA O=C(/C=C/c1c[nH]cn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 11935871 RQGPVUASTCRZHM-NJFIGMEYSA-N 434.584 3.310 0 50 IGAA O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)c1cccc(F)c1 12715487 CSKWQUPIXGUSID-UHFFFAOYSA-N 438.503 3.483 0 50 IGAA O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 13960076 ADLITXSKTFARDE-MRXNPFEDSA-N 438.740 3.133 0 50 IGAA COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@@H](C)C(C)(C)O)cc12 14541509 GIDMXBPALYFDBH-AWEZNQCLSA-N 434.537 3.025 0 50 IGAA O=C(c1ccccc1F)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 15066869 FXFJSAMKCDBVLG-JOCHJYFZSA-N 442.531 3.358 0 50 IGAA COc1cc(CNCC2(O)CCCCC2)ccc1OC[C@H](O)CN1CCCCCCC1 15069463 NDTCMLDDPWTWNV-JOCHJYFZSA-N 434.621 3.486 0 50 IGAA O=C(c1cc(COc2cccc3cnccc23)on1)N1CCN(Cc2ccccn2)CC1 20917575 FCJUTTZFZCWSBS-UHFFFAOYSA-N 429.480 3.155 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(F)c2)C2=C1C(=O)OC2 169758144 ODBWAEAAIPKSQP-OAQYLSRUSA-N 439.443 3.049 0 50 IGAA COc1ccc(CN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)[C@H]2CCS(=O)(=O)C2)cc1 225395018 OLDMDSVNBSUCDP-KRWDZBQOSA-N 430.501 3.454 0 50 IGAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)ccc1O 245229397 WRJJAINARFDXTG-FUHIMQAGSA-N 438.402 3.203 0 50 IGAA CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccnc(Oc4ccccc4F)c3)cc21 486852583 LCZVRKNKAFOFQW-UHFFFAOYSA-N 441.484 3.401 0 50 IGAA Cc1ccc2nc(CNC(=O)CC3(c4oc(C)cc(=O)c4O)CCSCC3)[nH]c2c1 1776111713 MNXAZBQLBJUOHP-UHFFFAOYSA-N 427.526 3.310 0 50 IGAA O=C(NC[C@@H]1CCCCN1Cc1coc(-c2cccc(-c3nn[nH]n3)c2)n1)c1ccccc1 1875341507 VYKCITVWTPOUFS-NRFANRHFSA-N 443.511 3.306 0 50 IGAA Cc1c(Br)c(COC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)nn1C 2325776744 RQIYGZXZPACFPI-UHFFFAOYSA-N 432.200 3.149 0 50 IGAA O=C(NS(=O)(=O)CCc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819754 OXZKHWCEGYGGSE-DLBZAZTESA-N 426.307 3.380 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 798673 IUQORVYOFFKIKJ-UHFFFAOYSA-N 432.498 3.044 0 50 IGAA Cc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 1121925 ODNOLUXLVJEWKX-QGOAFFKASA-N 427.551 3.442 0 50 IGAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)Nc1ccc(C)cc1 1122717 SBSXHSWUGQATCU-OAQYLSRUSA-N 439.537 3.368 0 50 IGAA CC[C@@H](C)Nc1nc(NC(C)C)nc(Oc2ccc(C(=O)O[C@H](C)C(=O)OC)cc2)n1 1166626 LMJPBQIILSUGRH-ZIAGYGMSSA-N 431.493 3.413 0 50 IGAA Cc1nc(N2CCC(N3CCC[C@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12 11782831 KUOXDPGLMTYCEV-KRWDZBQOSA-N 436.535 3.375 0 50 IGAA COCCCn1c(CN(C)[C@H](C)c2nccs2)cnc1S(=O)(=O)C1CCCC1 11936182 XHQSRZGZLUKIFK-OAHLLOKOSA-N 426.608 3.285 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccco2)(c2ccccc2Cl)C1=O 12051166 JXCXUDZFRWNZIP-QFIPXVFZSA-N 432.904 3.015 0 50 IGAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)c2)n1 12447978 RZEIGHKETLVLPK-JOCHJYFZSA-N 445.567 3.324 0 50 IGAA COCCN(Cc1ccc(OCCO)cc1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12703181 GJIGHVWXCRSKRK-HSZRJFAPSA-N 438.612 3.386 0 50 IGAA O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NCc1cnn(-c2cccc(F)c2)c1 14979978 WZCKKIFGKORAEN-JOCHJYFZSA-N 426.517 3.361 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CC(=O)Nc2ccccc21 16552647 IMJSODDHOOQTGA-UHFFFAOYSA-N 427.526 3.015 0 50 IGAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 16648928 SPMOSTVEPGGRNI-INIZCTEOSA-N 430.526 3.031 0 50 IGAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)o1 19229052 WMFXJMDAHIMTHY-UHFFFAOYSA-N 437.544 3.129 0 50 IGAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NCc2ccco2)C1 19647447 DMUNNBZMITZNAH-ZDUSSCGKSA-N 448.541 3.462 0 50 IGAA COc1ccccc1OCc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)no1 20256464 KAAXMRYSLODFMV-UHFFFAOYSA-N 425.460 3.359 0 50 IGAA CN(CCN1CCc2ccccc2C1)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 20863753 GGEZVGAPHZYPEV-UHFFFAOYSA-N 425.964 3.180 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)c4cc(Cl)ccc4F)CC3)n[nH]c2=O)cc1 169770604 RAUMZHWNFRSVIN-UHFFFAOYSA-N 444.894 3.441 0 50 IGAA C[C@H]1Oc2ccccc2N(CC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1=O 170623570 ZMENBSJMJCHXAW-IVZQSRNASA-N 428.916 3.426 0 50 IGAA COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=NC(=O)N(C)[C@H]32)cc(OC)c1OC 253470759 CLLOSEKQRVUUFS-KXBFYZLASA-N 427.432 3.205 0 50 IGAA Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1C 263615024 AEIWENRUYDGPOP-QFIPXVFZSA-N 435.503 3.268 0 50 IGAA CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 470625512 ZFVRCOWBAVKODJ-INIZCTEOSA-N 443.352 3.472 0 50 IGAA C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCOc2cccnc2)CC1 745820663 QKBRQSOGMIVVSG-MRXNPFEDSA-N 433.350 3.311 0 50 IGAA CC(=O)Nc1ccc2nc(CN3CCN(c4nnc(C(F)(F)F)s4)CC3)ccc2c1 820592964 OTMXXRVPERLJHN-UHFFFAOYSA-N 436.463 3.386 0 50 IGAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NC2CCN(C(C)=O)CC2)cc1 824692063 AHZYIZDEDDYCMB-UHFFFAOYSA-N 438.480 3.040 0 50 IGAA Cc1nc([C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1 1875260082 PJAWRJAZFIKEFX-SUMWQHHRSA-N 435.406 3.250 0 50 IGAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1 1875320944 OOPLDXMYKWFPEQ-KRWDZBQOSA-N 438.553 3.165 0 50 IGAA CO[C@@](C)(C(=O)N1CCC[S@@](=O)(=NC(=O)c2ccc(C)o2)CC1)c1ccccc1F 2332238830 NOJBWLVAPWASJP-DFXYEROKSA-N 436.505 3.129 0 50 IGAA COc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 1072878 FQSZUTNWRKVNCX-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA O=C(O)C[C@@H]1S/C(=N/N=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)NC1=O 1138599 HTFKSPCCNJDQDA-BBMHEYIBSA-N 447.472 3.455 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O 2555054 FIKNCGRWSBGBKP-JTQLQIEISA-N 439.100 3.438 0 50 IGAA in-vitro O=C(C1CCN(C[C@H]2CC=CCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 5897222 RPXKAZZLVHURRO-FQEVSTJZSA-N 425.573 3.128 0 50 IGAA CN(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cc(F)c(F)c(F)c1)C3 11788125 LYNLJFZBKFMTTI-ZDUSSCGKSA-N 436.503 3.084 0 50 IGAA Cc1ccn2c(CN(C)CCCCN3CCOCC3)c(C(=O)N3CCCCCC3)nc2c1 11819507 DRSUYDCZNDQPNR-UHFFFAOYSA-N 441.620 3.203 0 50 IGAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(CN3CCCCC3)cs1)CC2 12041871 KUGVSDKCABCVDC-SFHVURJKSA-N 444.649 3.046 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2ccccc2)sc2c1CCN(C(=O)C1=CCCC1)C2 12246630 NTZGVFSDEJDZSQ-UHFFFAOYSA-N 446.550 3.331 0 50 IGAA CN(C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccccc2)C1 14539619 PJXKPLAAEMJFNR-FCHUYYIVSA-N 427.564 3.411 0 50 IGAA COc1ccc(Cn2cc(C(=O)NCC3CCN(CCc4ccccc4)CC3)nn2)cc1 14952692 MVYNHWRDPWTVNZ-UHFFFAOYSA-N 433.556 3.020 0 50 IGAA COc1cccc(CN2C[C@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CCC2=O)c1 15079047 DVUXENKWPGXTKF-LJQANCHMSA-N 441.959 3.436 0 50 IGAA O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCNCC1)c1ccccc1Cl 16511788 DUROBJZVFGTKGK-AQTBWJFISA-N 448.748 3.305 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)CC1 16650290 KWTYHLUECWXQFX-UHFFFAOYSA-N 425.510 3.147 0 50 IGAA COc1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(OC)c1OC 22920107 DGIQGCFJWCSHPX-QFIPXVFZSA-N 428.573 3.214 0 50 IGAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1cc(C)ccc1C)CC2 23128635 RGFCTMKTGBVJEF-UHFFFAOYSA-N 447.535 3.284 0 50 IGAA O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32091784 HBUWIJPUGFUYIJ-ZDUSSCGKSA-N 438.841 3.329 0 50 IGAA CN(Cc1ccon1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 67691705 RKDVJKCWZAMCLP-UHFFFAOYSA-N 436.560 3.045 0 50 IGAA Fc1ccc(Cc2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@@H]2CCOC2)cc1 240934400 JBVHICYWFFJODQ-FUHWJXTLSA-N 429.521 3.079 0 50 IGAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccc4c(ccn4C)c3)N=C2O)cc1 252570391 WQEHFLCLFSNTAM-HXUWFJFHSA-N 434.496 3.273 0 50 IGAA O=C(OCc1ccccc1)N1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 301773480 KEUIYHMYKZPURB-UHFFFAOYSA-N 432.459 3.389 0 50 IGAA CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)cc2C[C@H]1C 471137338 SEYQGBTUYCZAGH-LLVKDONJSA-N 432.452 3.453 0 50 IGAA Cc1cc(CN(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c(C)c(CN2CCN(C)CC2)c1 952967409 BCOKKOCIHWBHBW-JOCHJYFZSA-N 426.649 3.274 0 50 IGAA Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1C[C@@H]2CCCN2C(=O)[C@H]1C 1772700806 IQXRFIYQHXGEJG-KOLCDFICSA-N 449.476 3.114 0 50 IGAA O=C(N[C@H]1CCCC12CCN(C(=O)c1cccc(N3CC=CC3)c1)CC2)c1ccc(O)nc1 1875358693 GCWYLCNKRXLVGL-QFIPXVFZSA-N 446.551 3.368 0 50 IGAA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)cc1 1049685 AMRIHUQBTLQCDM-UHFFFAOYSA-N 448.346 3.469 0 50 IGAA COc1ncccc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 11668271 YOJVLZWSYOUNSS-UHFFFAOYSA-N 436.556 3.071 0 50 IGAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc(Cl)c2)c1=O 12156141 PDCHSHJHSJVCDD-UHFFFAOYSA-N 437.927 3.424 0 50 IGAA COc1ccc(S(=O)(=O)c2nc(-c3cccc(OC)c3)oc2N2CCOCC2)cc1 12370950 QZUYZASZSFGZDV-UHFFFAOYSA-N 430.482 3.028 0 50 IGAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c(OC)c1C 14976979 DKUXHNPOZUBAKO-LJQANCHMSA-N 427.549 3.113 0 50 IGAA COc1cc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc(OC)c1 19841148 PMKSKXXRZKPASQ-QFIPXVFZSA-N 436.556 3.163 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 101855838 LLLFTDZJUCBQCR-RZTYQLBFSA-N 433.460 3.270 0 50 IGAA C[Si](C)(C)CCCc1c(O)nc(SCC(=O)c2ccc3c(c2)OCCO3)[nH]c1=O 169794801 UATBBEGQJDDCJN-UHFFFAOYSA-N 434.590 3.493 0 50 IGAA O=C(CCCNC(=O)NC1CCCCC1)NC1CCN(Cc2nc3ccccc3[nH]2)CC1 170636121 UWBGFNIVUWMCMK-UHFFFAOYSA-N 440.592 3.056 0 50 IGAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@@H]2CCCN21 245242241 PGRHCBYLMMDTGD-OYSWMMLKSA-N 429.520 3.297 0 50 IGAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3CCC[C@H]3[C@@H]2C1=O 245325924 HTVROKSUZNDXQZ-KNTRFNDTSA-N 442.874 3.323 0 50 IGAA COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2C(=O)c1ccc(F)cc1 245325925 HTVROKSUZNDXQZ-MVJPYGJCSA-N 442.874 3.323 0 50 IGAA COC(=O)c1cc(CNC(=O)C2CCN(C)CC2)cc(NC(=O)c2ccccc2Cl)c1 299788114 WQEOBGLTGORFEG-UHFFFAOYSA-N 443.931 3.337 0 50 IGAA CC[C@H]1COC(C)(C)CN1C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301865 UHVIIRMXKPTCQN-BBRMVZONSA-N 429.439 3.290 0 50 IGAA CC1(C)CC(=O)c2cc(C(=O)N[C@@H]3CCSC3=O)c(=O)n(-c3ccc(Cl)cc3)c2C1 1139770 LHKLZCHFOZFMTP-MRXNPFEDSA-N 444.940 3.408 0 50 IGAA COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1OC 1219821 HBQBSJFLLIMPLZ-OAHLLOKOSA-N 447.329 3.178 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccc(F)cc1 2991301 JSJLAOOPQGFMTF-UHFFFAOYSA-N 430.954 3.295 0 50 IGAA O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21 9305119 PDEQGDIVWDKNIV-SGQUHAKNSA-N 428.492 3.491 0 50 IGAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 12208960 PMEADVWFDPCSTI-INIZCTEOSA-N 445.951 3.107 0 50 IGAA CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14531795 IHLXTICOWICKDP-HXUWFJFHSA-N 427.614 3.414 0 50 IGAA CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 245253750 MSJJTVWAATYDKJ-KUWBRRTOSA-N 434.577 3.297 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409413105 CNXJGIALSSQHTK-NQIIRXRSSA-N 426.561 3.008 0 50 IGAA biogenic Cc1nc(C)c(C(=O)NCCCCc2cn(-c3cc(F)c(C(=O)O)c(F)c3)nn2)s1 1875325483 YYLQRTPDYBWFNI-UHFFFAOYSA-N 435.456 3.070 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccccc1F 2325736299 LOZWNBGXJHNMNQ-UHFFFAOYSA-N 436.486 3.436 0 50 IGAA NC(=O)[C@H]1CCCN(c2ccccc2CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C1 2325748758 CXJIDBTVEKBWIX-AWEZNQCLSA-N 446.338 3.273 0 50 IGAA COc1ccc(C)cc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(C)cc1 886644 KHSQXMIKVLAMGU-UHFFFAOYSA-N 439.537 3.219 0 50 IGAA O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 1096588 YBMYXTDDBHLUAL-UHFFFAOYSA-N 439.892 3.306 0 50 IGAA O=C1C[C@@](CC(=O)N2CCCC[C@H]2CO)(c2ccc(-c3ccccc3)cc2)C(=O)N1C1CC1 11784238 XKNTXCXESCGMPV-HOFKKMOUSA-N 446.547 3.276 0 50 IGAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1Cl 12718595 BLUILVFLLLGNLK-INIZCTEOSA-N 433.940 3.378 0 50 IGAA CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CCCCC3)n2CCOC)nc1 15078700 XDVJNMYCEQZLFE-UHFFFAOYSA-N 448.633 3.473 0 50 IGAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@@H]45)[C@H]3C2=O)cc1 245257358 YQALNHVAJLRUTL-SBJIFONGSA-N 430.460 3.095 0 50 IGAA CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 245329091 XNGIQKMHLZKXQB-CQAGSAPUSA-N 425.488 3.421 0 50 IGAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCCC5)CC4)c3CO2)cc1 263615490 CSCPIHTUKAWHLA-QFIPXVFZSA-N 436.556 3.328 0 50 IGAA CN(CCc1ccccc1)Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(O)n1 823708583 VOGPYBLHMOIDQX-FQEVSTJZSA-N 433.508 3.032 0 50 IGAA COCCNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1C 952873419 YTMHEYVLPHHHFK-LJQANCHMSA-N 437.540 3.486 0 50 IGAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C3CCN(C(=O)c4cccs4)CC3)C1)CC2 1704311244 AXNXYCNCPQPFME-HSZRJFAPSA-N 425.602 3.189 0 50 IGAA CCCC[C@@H](C(=O)N[C@@H](CO)c1ccc(-c2ccccc2)cc1)N1CCCS1(=O)=O 1875344012 BLZIXGVBAFGAGN-VXKWHMMOSA-N 430.570 3.098 0 50 IGAA O=C(CN1C(=O)c2ccc(C(=O)OCc3ccccc3)cc2C1=O)OCc1ccccc1 1136636 XFYNZHCPEDZWQD-UHFFFAOYSA-N 429.428 3.383 0 50 IGAA CCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 2438173 WPAUMXYAVOBWIU-UHFFFAOYSA-N 445.567 3.436 0 50 IGAA COC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1[C@H](C(=O)OC)CC2 2592636 DXQYBEPQZBNIAU-LLVKDONJSA-N 427.434 3.096 0 50 IGAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)O 6161663 WBSYGWSLBXQJQX-UHFFFAOYSA-N 428.441 3.358 0 50 IGAA COc1ccccc1/C=C/CN1CCC2(CC[C@H](CNC(=O)C3CCOCC3)O2)CC1 11840074 IUERSMPPWVUPGE-UKKYDJSUSA-N 428.573 3.265 0 50 IGAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 14745844 GLTVQHAXKWCKPW-UHFFFAOYSA-N 448.567 3.472 0 50 IGAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)[C@@H]2CCOC(C)(C)C2)C3)nn1 14994936 WFMQCYUMZBURCF-OAHLLOKOSA-N 427.501 3.087 0 50 IGAA O=C(Nc1nnc(C2CC2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 16624122 OSFWXDFXKKBENU-UHFFFAOYSA-N 426.951 3.108 0 50 IGAA O=C(NCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 19774391 CYKXQALDDRWUIC-UHFFFAOYSA-N 427.508 3.125 0 50 IGAA CCn1c(C(=O)OC)c(NC(=O)[C@@H]2CCOC2)c2cc(NCc3cccs3)cnc21 19838338 MXKGXJCIQXIOGF-CYBMUJFWSA-N 428.514 3.491 0 50 IGAA CC(C)C(=O)N(Cc1cc2ccc(F)cc2nc1N1CCC(O)CC1)C[C@H]1CCCO1 20905545 VIQYYSVITINEPH-OAQYLSRUSA-N 429.536 3.499 0 50 IGAA CCOC(=O)c1n[nH]cc1CN1CCC(CCOc2ccccc2)(C(=O)OCC)CC1 46085629 CKIYFWZYITVFDJ-UHFFFAOYSA-N 429.517 3.201 0 50 IGAA COc1ccc(-c2noc(CN3CCN(c4ccc(F)cc4)CC3)n2)c(OC)c1OC 55270969 GMRABQUXNILCKH-UHFFFAOYSA-N 428.464 3.224 0 50 IGAA CCOC(=O)[C@H](NC(=O)c1cc(C(C)C)nn1C)c1c(C)nn(Cc2ccccc2)c1C 170614373 BBWHEAAZLYTYFO-JOCHJYFZSA-N 437.544 3.439 0 50 IGAA COc1ccc(-c2noc([C@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C(C)C)n2)cc1 238901391 LXDOWTBSNUJIGT-LJQANCHMSA-N 445.497 3.192 0 50 IGAA CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC 238923914 QHSNTKCALOCZCF-FUHIMQAGSA-N 438.402 3.198 0 50 IGAA Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239402774 RCRDVPPOKMVRTM-VPOPLMJOSA-N 435.520 3.334 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccc(C)cc3)[C@@H]42)cc1 245254579 AKZGLKJMAMTSDA-WRYYQEFWSA-N 444.487 3.346 0 50 IGAA COc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCC(C)CC4)nc3)CC2)c1 482051230 FEMJCEAMPJNQSQ-UHFFFAOYSA-N 438.572 3.163 0 50 IGAA O=C(COc1ccc(F)cc1)N1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 492167300 HUYPVOILKNSHLR-UHFFFAOYSA-N 431.414 3.482 0 50 IGAA NC(=O)[C@@]1(c2ccccc2)CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 1857530637 KGEBSTSKKVNWSS-FQEVSTJZSA-N 427.302 3.128 0 50 IGAA O=C(NS(=O)(=O)c1ccc(Br)cn1)c1cc2ccccc2n1CC1CC1 2325853576 VILGUGOCYJURQY-UHFFFAOYSA-N 434.315 3.328 0 50 IGAA Cc1ccc(F)c(-n2cc(O)c(C(=O)N[C@@H](Cc3cc(Cl)ccc3F)C(=O)O)n2)c1 2325877123 JVWYWEBXBGYINI-HNNXBMFYSA-N 435.814 3.244 0 50 IGAA CCOCCn1nc(COc2cccc(F)c2)nc1[C@H]1CCCN(C2CCOCC2)C1 2356139795 YIOOTRVHFPHQNN-SFHVURJKSA-N 432.540 3.391 0 50 IGAA Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1 823371 OLWKPHCTHRSDLW-UHFFFAOYSA-N 438.918 3.040 0 50 IGAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 1049687 LZSSESLZQZFMTR-UHFFFAOYSA-N 439.541 3.474 0 50 IGAA CCOC(=O)N[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl 2952153 CLGXXRGEPKVELF-LLVKDONJSA-N 427.741 3.374 0 50 IGAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 12112142 PQWLPAAZSBRIKI-OAQYLSRUSA-N 434.540 3.288 0 50 IGAA COc1cccc(C[C@]2(C3CCN(Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1 12211407 IYSPNCWPZTYDII-XMMPIXPASA-N 443.494 3.349 0 50 IGAA COc1cc(CN(C)CCc2cnn(C)c2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12593810 NLYNMMNNXNJCBE-HSZRJFAPSA-N 444.620 3.107 0 50 IGAA O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(Br)cc2)CC1 13784447 BFCQUQFOKXQDDK-UHFFFAOYSA-N 440.388 3.152 0 50 IGAA CN(C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 14732695 ROGRWWJTRQCJOR-LEWJYISDSA-N 443.563 3.116 0 50 IGAA COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 38149547 JBYWRUNQWHPVOE-QFIPXVFZSA-N 432.524 3.020 0 50 IGAA COc1cccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)c1 239331252 KIYKRKYHJQZHAT-PLOUGOBLSA-N 434.529 3.418 0 50 IGAA O=C(N[C@H](CCO)Cc1ccccc1)c1cccc(NS(=O)(=O)c2cccs2)c1 239882342 DBFXRAFINQOJEG-GOSISDBHSA-N 430.551 3.272 0 50 IGAA Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 247827807 JTUKBNQXECTJOR-ORQYLMBXSA-N 439.874 3.219 0 50 IGAA COc1ccccc1N1CCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C1 261451078 OXGGVAVIDHARPI-UGKGYDQZSA-N 434.540 3.009 0 50 IGAA CN(Cc1nc(O)c2ccccc2n1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 742490496 KZWHCWYRTFRRGB-AWEZNQCLSA-N 434.525 3.215 0 50 IGAA C[C@@](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)(C(=O)O)c1cccc(Br)c1 776649890 PQGFFLSYHKZVHQ-QKKBWIMNSA-N 445.313 3.456 0 50 IGAA COc1ccc(C(=O)N2CCC(C(=O)N(C)[C@H]3CC(C)(C)OC3=O)CC2)c2ccccc12 817075605 WJVMHZDBEJDBSR-FQEVSTJZSA-N 438.524 3.253 0 50 IGAA O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1C(=O)c1cccc(N=c2cncc[nH]2)c1 1875365225 WQYSLSNSGJQIFR-OAQYLSRUSA-N 443.507 3.210 0 50 IGAA COC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1[C@H](C(=O)OC)CC2 945163 ODVXWJUBIAJQLY-SNVBAGLBSA-N 439.287 3.147 0 50 IGAA C[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)C2)C1 12211049 ULVXECYZSQRILH-AZUAARDMSA-N 446.551 3.353 0 50 IGAA CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)NCCc3ccco3)c21 12246334 LXZDVIWPJYBVIG-UHFFFAOYSA-N 447.495 3.269 0 50 IGAA Cc1cccnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12314334 RIWKUZHBPVFITM-DEOSSOPVSA-N 428.536 3.064 0 50 IGAA CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)cc1 12411043 ZXQJDSKNYVPRNR-HXUWFJFHSA-N 440.496 3.190 0 50 IGAA CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1O 13124626 APAVLZPXNBVDLP-UHFFFAOYSA-N 439.541 3.238 0 50 IGAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@@H](N(CC)CC)C2)c1=O 14954260 ZUALUTQUDIQADJ-HXUWFJFHSA-N 444.620 3.440 0 50 IGAA O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)C1 19145257 FYXSPUYHJGFPBZ-GCJKJVERSA-N 437.515 3.160 0 50 IGAA Cc1cc(C)n(CCN(C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)n1 20599741 VAMRKUZILDFKJC-UHFFFAOYSA-N 443.617 3.458 0 50 IGAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cc1 169781366 HRAOBKDGOFXBQF-NSHDSACASA-N 429.274 3.326 0 50 IGAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1NC(=O)c1ccccc1F 242339104 ZEYLEKCUIJJQPI-BWAGFHJFSA-N 426.488 3.388 0 50 IGAA COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 263619340 YEYAPDBDGYOMIE-MRXNPFEDSA-N 435.528 3.480 0 50 IGAA COc1ccc(N=c2ncnc3[nH]c(O)c(NC(=O)c4ccc(OC)c(OC)c4)cc2-3)cc1 390834900 OYAMRIFPZYXEMJ-UHFFFAOYSA-N 447.451 3.126 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCCc1nc(O)c2ccccc2n1 409413462 IDLBWXARRNAEEO-UGKGYDQZSA-N 440.588 3.398 0 50 IGAA biogenic COc1ccc(Cn2cc(C(=O)OCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cn2)cc1OC 778457068 HRUDTSUEBJRUHV-NDUPCHFUSA-N 441.528 3.046 0 50 IGAA O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Br)cc1 805880 LQWGQUYOADIHDO-GOSISDBHSA-N 432.293 3.042 0 50 IGAA CN(C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O)C(C1CC1)C1CC1 11790466 XGXDRTLWVIZCRU-SANMLTNESA-N 449.526 3.455 0 50 IGAA CCn1c(C(=O)OC)c(NC(=O)[C@H]2CCOC2)c2cc(N[C@@H](C)CC(C)(C)OC)cnc21 14740766 MQELNWXABDUIPD-GJZGRUSLSA-N 446.548 3.433 0 50 IGAA CCOC(=O)CCN[C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 14984885 JVCQNMBFXIHBMB-KRWDZBQOSA-N 425.554 3.215 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)cc1OC 16475212 SYSUWMCLSAQEAN-ZDUSSCGKSA-N 440.468 3.021 0 50 IGAA COC(=O)c1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 17099646 MWRCFEUKNRUBBX-UHFFFAOYSA-N 435.552 3.442 0 50 IGAA COc1ccccc1CN1C[C@@H](C(=O)N2CCN(Cc3cccc(C)c3)CC2)CCC1=O 20450478 SRBJTRAOLNQEMM-QHCPKHFHSA-N 435.568 3.087 0 50 IGAA Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)n1 23129342 FDCLCXZANNXGRZ-QHCPKHFHSA-N 434.584 3.367 0 50 IGAA Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 33088156 IVKBXCOLOARXFF-AWEZNQCLSA-N 427.390 3.420 0 50 IGAA CC(C)NC(=O)CN1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)CC1 36383448 ZKVHIFHOZRHCDO-UHFFFAOYSA-N 448.567 3.286 0 50 IGAA COC(=O)c1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N(C)C)cc1 52595992 JRCBWAWFPAEZOA-XLIONFOSSA-N 438.553 3.173 0 50 IGAA O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C21CC1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 104380882 DCRYZQIRKHXIDJ-YCRNBWNJSA-N 443.547 3.121 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 111009907 NNXCVFJBROOOJA-CLVCIHKQSA-N 438.553 3.369 0 50 IGAA C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238900825 KHZBGCXATFJJRM-JYJNAYRXSA-N 427.497 3.446 0 50 IGAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239025296 BJBDAEZKFMEYKA-XLMGQLRASA-N 448.302 3.161 0 50 IGAA CC[C@H](C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N[C@@H](C(=O)O)C(C)C 253488035 VUXYGWVIHPLBTM-KLIQENQMSA-N 446.548 3.469 0 50 IGAA COc1ccc(F)c(C[C@]2(CCC(=O)NCCc3nc4ccccc4[nH]3)CCC(=O)N2)c1 299761447 LUWZCZJFCBKSHB-DEOSSOPVSA-N 438.503 3.041 0 50 IGAA COc1ccc([C@@]2(CC(=O)NCc3ccccc3F)CC(=O)N(C3CCCC3)C2=O)cc1 299801624 XPIRXZQGXNUOKX-RUZDIDTESA-N 438.499 3.480 0 50 IGAA Cc1c[nH]nc1NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 788198334 CYBDIPQVAZAVOX-UHFFFAOYSA-N 441.444 3.164 0 50 IGAA O=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1875329887 ILFXWQXRXVKSQN-WCQYABFASA-N 435.368 3.461 0 50 IGAA Cc1ccc2c(C(=O)N=[S@]3(=O)CCCN(C(=O)[C@@H]4CCCOC4)CC3)csc2c1 2332238940 QXLQWFVGPGAHCO-BCOMRZATSA-N 434.583 3.477 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1C 660977 UQZVYKTYPSESIE-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA COc1cccc(OC)c1C(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 779571 HJURSNJNZUVVSK-UHFFFAOYSA-N 434.492 3.220 0 50 IGAA CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCC2 2675025 PAARKXCICBRQIX-UHFFFAOYSA-N 448.566 3.450 0 50 IGAA CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c1 2804943 KBJIQKLGCWUPGI-JTQLQIEISA-N 444.351 3.036 0 50 IGAA COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)CCc1ccccc1)C(F)(F)F 2872027 DRVVMVZKRNOGNH-OAQYLSRUSA-N 438.446 3.268 0 50 IGAA COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1nc(C2CC2)cs1)C(F)(F)F 8854923 ZUFDTQKOVNHSTE-QGZVFWFLSA-N 429.420 3.303 0 50 IGAA Cc1nnc(SCCNC(=O)c2cc(COc3cccc4cnccc34)on2)s1 12458941 FJVNCEODTTVAIT-UHFFFAOYSA-N 427.511 3.484 0 50 IGAA CC(C)NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O 12511833 CBEABVOIGCUDKS-UHFFFAOYSA-N 438.572 3.467 0 50 IGAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3F)CC2)C1=O 14535269 RTZBSMXFZRRIGM-UHFFFAOYSA-N 439.531 3.314 0 50 IGAA Cc1nccn1-c1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)ncn1 72434256 KPSJNBDMPCPVEY-UHFFFAOYSA-N 431.422 3.344 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccc(F)cc2)cc1 101468315 HYVPPESETJPGFW-QYWGDWMGSA-N 432.517 3.334 0 50 IGAA O=C(c1ncn2c1CO[C@H](c1ccccc1)C2)N1CCC(C(=O)N2CCCCCC2)CC1 263616294 HYFCHIBZSKGYBX-QFIPXVFZSA-N 436.556 3.409 0 50 IGAA COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCCNC(C)=O)ccc2c1 1848442577 BDNLMSWFWPDLPU-UHFFFAOYSA-N 448.475 3.318 0 50 IGAA CC[C@](C)(CC(=O)N[C@H]1CCN([C@@H](C(=O)O)C(C)C)C1=O)Cc1nc2ccccc2s1 1875262398 QXHADNKZLROPHB-LERMDLETSA-N 445.585 3.472 0 50 IGAA COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1142584 IZTDKIDGDXIDJV-UHFFFAOYSA-N 431.297 3.039 0 50 IGAA CN(Cc1nccn1C)[C@H]1CCc2c(sc3ncn(CCc4ccccc4)c(=O)c23)C1 11911862 HRMNWGVTJNYOHX-SFHVURJKSA-N 433.581 3.424 0 50 IGAA O[C@@H](COc1ccccc1CNCc1cc2cc(F)ccc2[nH]1)CN1CCSCC1 12385756 LMSILBOCXJVHLB-OAQYLSRUSA-N 429.561 3.385 0 50 IGAA Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)sc2ncnc(NCCCN3CCCC3=O)c12 12456342 JDSGKNCRCZTZND-OAHLLOKOSA-N 445.589 3.112 0 50 IGAA CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(C(=O)Cc1ccsc1)C2 14530884 MTCXKMWHAWBGOG-UHFFFAOYSA-N 437.569 3.053 0 50 IGAA CN(Cc1cccnc1)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 55089524 SXWGXQVYYCCCIH-RUZDIDTESA-N 442.563 3.063 0 50 IGAA CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1c(OC)cccc1OC 328597120 DQOQYORIMZAOLD-QGZVFWFLSA-N 431.514 3.163 0 50 IGAA COC(=O)C[C@@H](c1cccc(Cl)c1F)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089427 BOXPSOMQTUBIDL-HNNXBMFYSA-N 433.867 3.316 0 50 IGAA O=C(NS(=O)(=O)c1nccs1)c1cccc(Oc2cc(C(F)(F)F)ccn2)c1 1875343741 SSBBFPPCMNQTTD-UHFFFAOYSA-N 429.401 3.468 0 50 IGAA C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 2325850349 VLPITJOGIKJFDV-ZHRRBRCNSA-N 432.524 3.335 0 50 IGAA O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 1057931 DJGJVLIBFCZPSP-UHFFFAOYSA-N 432.465 3.184 0 50 IGAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl 1150083 MIBRAZOSNKYQGL-UHFFFAOYSA-N 442.368 3.108 0 50 IGAA COc1ccc(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1OC 4712147 OVMMGIMELDRFMU-UHFFFAOYSA-N 425.573 3.499 0 50 IGAA COc1ccccc1N1CCN(C(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 8440954 SYBGBFXVYTXCRT-UHFFFAOYSA-N 443.503 3.183 0 50 IGAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11709394 QSXNLHZZIAXQKY-XUZZJYLKSA-N 439.600 3.461 0 50 IGAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2 12041740 FPPWDGODKIFUAN-OAQYLSRUSA-N 427.593 3.310 0 50 IGAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 12202417 DCQRWPGTKYFEBG-CRICUBBOSA-N 442.531 3.373 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2c(C)nc3ncccn23)C1 12305828 BYVWTRAEJXQCDM-QHCPKHFHSA-N 442.466 3.344 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 15064275 MGPFMRMAYGSSEE-KRWDZBQOSA-N 425.558 3.124 0 50 IGAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 49547166 GWLSSOJTKLOACO-UHFFFAOYSA-N 426.879 3.052 0 50 IGAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(F)c(Cl)c1 169752514 ICLLXWGLEQHAMI-UHFFFAOYSA-N 426.835 3.087 0 50 IGAA COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CNC(=O)OCC(F)(F)F 170624914 UGXXTXOATAUNEP-LBPRGKRZSA-N 439.228 3.410 0 50 IGAA COc1ccccc1N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)C(=O)c1ccccc1 239235759 WQAJJRTUERZDQE-HAGYDGCBSA-N 428.488 3.353 0 50 IGAA COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1OC 252444269 GVXZFEGRBLJCNN-KSFYIVLOSA-N 429.542 3.413 0 50 IGAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3(c4ccc(F)cc4)CCOCC3)c2C)n1 410017704 YYMMJQFTIAXZON-UHFFFAOYSA-N 437.519 3.400 0 50 IGAA Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C 585091606 OFWWWKWUCDUISA-UHFFFAOYSA-N 429.476 3.064 0 50 IGAA in-vitro Cc1sc2nc(CCNC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)nc(O)c2c1C 827731012 HKSVMZHOBQQSGC-QGZVFWFLSA-N 438.553 3.367 0 50 IGAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccc2sc3c(c2c1)CCNC3=O 952986322 KZYDTSQSLFMQGJ-AWEZNQCLSA-N 425.554 3.050 0 50 IGAA Cc1ccc2ccccc2c1CN1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1180375 QUCTWTPJRMRRBF-UHFFFAOYSA-N 441.531 3.479 0 50 IGAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cc(Br)ccc1OC 2502864 UJMMAXKIQSYHBV-HNNXBMFYSA-N 425.304 3.281 0 50 IGAA Cc1cccc(CSCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 2989077 XGWCVBXFWSQEJA-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA COc1cc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc(OC)c1OC 3612868 IZXXKPRLKAVDKJ-UHFFFAOYSA-N 439.497 3.273 0 50 IGAA C[C@H](Cc1cnccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11938407 RWYSVDYRUNCBFP-LJQANCHMSA-N 431.540 3.276 0 50 IGAA CC[C@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 12021916 JTAFTLBXFUVHJL-XMMPIXPASA-N 439.512 3.430 0 50 IGAA O=C(Cn1nc2ccccc2n1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12074660 WSCZOTVLNZIFME-QHCPKHFHSA-N 425.483 3.224 0 50 IGAA CCN1C[C@@H](CN(C)C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC1=O 12093141 MRNHQVJXYUIAOL-MRXNPFEDSA-N 444.963 3.452 0 50 IGAA Cc1ccccc1[C@@]1(CC(=O)N(C)[C@@H](C)c2ccon2)CC(=O)N(Cc2cccnc2)C1=O 12151823 FEKUWFHZAULBNQ-AVRWGWEMSA-N 446.507 3.185 0 50 IGAA COCc1c(C(=O)N[C@H](C)CCCC(C)(C)O)cnn1-c1nccc(-c2ccco2)n1 15007873 JAMQPJJHMWKDFL-OAHLLOKOSA-N 427.505 3.128 0 50 IGAA COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2Cl)CN1C(=O)OC(C)(C)C 143564135 ZYJYPPYJVAFFOX-DOMZBBRYSA-N 437.880 3.222 0 50 IGAA in-vitro CC(C)C[C@H](C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248204064 YOSDCWJMMOVRPT-WJFTUGDTSA-N 442.560 3.265 0 50 IGAA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 254399104 DDNFNZMFXRMHIQ-GFWYOZIXSA-N 432.557 3.290 0 50 IGAA O=C1CC2(CCN(C[C@@H](O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CN1 466925914 QAEAIXRIJCGGKD-OAQYLSRUSA-N 430.495 3.034 0 50 IGAA O=C(Nc1cccc(CN2CCCC2)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 952984472 WFUFHKFYUFBZPF-OAQYLSRUSA-N 431.533 3.213 0 50 IGAA COc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 1875322814 JNCIEQRMXRPJKL-UHFFFAOYSA-N 438.505 3.052 0 50 IGAA Nc1ccc(I)cc1C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 2325870068 IGGNJODDGZYHKM-MRXNPFEDSA-N 436.293 3.347 0 50 IGAA CC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=O)[C@H](C)c1cccc(Br)c1 2325877090 IOEWJDDYAZYLBW-ZNOIYHFQSA-N 448.361 3.433 0 50 IGAA Cc1c(Nc2nc3nonc3nc2Nc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 1022761 PJFHNKKDSNQTPS-UHFFFAOYSA-N 432.419 3.437 0 50 IGAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 1120867 NZOYQLKOTJSOIJ-UHFFFAOYSA-N 433.961 3.087 0 50 IGAA CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1 1143829 ICTOQWDKBDJFMC-UHFFFAOYSA-N 442.368 3.108 0 50 IGAA COc1ccc(N2C(=O)[C@](NC(=O)c3ccccc3Cl)(C(F)(F)F)N=C2O)cc1 2393745 IAZPOZPOUJSTFH-QGZVFWFLSA-N 427.766 3.298 0 50 IGAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccccn1 6244927 ATKXNYCYBPSCOP-UHFFFAOYSA-N 431.901 3.231 0 50 IGAA COc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(c3ccccc3)CC2)cc1 11966319 WERHTZLTNYBQBU-HSZRJFAPSA-N 433.552 3.286 0 50 IGAA Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1cc(C)n(C)n1)C2 12123577 AOWQVMPSNYDSFA-VOTSOKGWSA-N 435.553 3.022 0 50 IGAA CCOC(=O)c1[nH]ncc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCCN13 12316195 KWQITLPHAWGKGP-VPKVUBIPSA-N 428.920 3.178 0 50 IGAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)CCc1ccccn1)CC2 14531638 LNSFMILAXSDEKJ-UHFFFAOYSA-N 448.523 3.029 0 50 IGAA O=C(c1ccccc1N1CCCC1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 15073535 SZOYAWYMPQMIOD-QGZVFWFLSA-N 433.599 3.179 0 50 IGAA CC(C)N1CCC(N2CCN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]2CCO)CC1 19840620 TYYHANHSTFVYCK-QHCPKHFHSA-N 434.024 3.357 0 50 IGAA COc1ccc(CCc2nnc(CCC(=O)N3CCN(C)[C@H](c4ccccc4)C3)o2)cc1 20600876 OGBLTYSIPALYAK-QFIPXVFZSA-N 434.540 3.311 0 50 IGAA O=C(NC[C@H]1CCCO1)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 169764006 GZHBUITXXAKEGM-DLBZAZTESA-N 438.553 3.163 0 50 IGAA Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239047002 GBTWCVJQXKPJCD-MHYASESZSA-N 449.732 3.403 0 50 IGAA O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856616349 YVGJQJAKFUSYBD-LEWJYISDSA-N 425.492 3.221 0 50 IGAA CC(=O)N1C=Cc2ccccc2[C@H]1Cc1nc(-c2cccc(N3CCN(C)CC3)n2)no1 2325736515 HHCQMWILPNEOOM-OAQYLSRUSA-N 430.512 3.000 0 50 IGAA COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1OC 1126044 QAJWUUNBLBXIJP-UHFFFAOYSA-N 447.340 3.093 0 50 IGAA CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1C1(C(=O)OC)CCCC1 1136960 HAUHDNOLRMMLSN-HUUCEWRRSA-N 425.275 3.364 0 50 IGAA COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 9046088 JGVLHJCSWJPRDY-SFHVURJKSA-N 434.323 3.456 0 50 IGAA COCC(=O)Nc1cc(C(=O)NCCc2ccco2)c2c(c1)ncn2CCc1ccccc1 11789318 LLWDSAIJFXMREF-UHFFFAOYSA-N 446.507 3.429 0 50 IGAA COc1ccc(-c2noc(CN3CCC([C@H](O)c4ccccn4)CC3)n2)c(OC)c1OC 12429416 DSJLPKBVXXKUSZ-FQEVSTJZSA-N 440.500 3.103 0 50 IGAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1 12711358 KPLXEHJPIYKXCK-FQEVSTJZSA-N 431.577 3.017 0 50 IGAA COc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12711484 QDRWKFPDANTWEN-DEOSSOPVSA-N 443.547 3.369 0 50 IGAA COc1ccc2c(c1)[C@H](CC(=O)N1CCC3(CC1)C[C@@H]3C(=O)Nc1ccccc1)C(=O)N2 14882433 LZWWMKLJEOBVMA-VQTJNVASSA-N 433.508 3.388 0 50 IGAA CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)nc1C 17057832 CKNFVPCUOWSIQR-UHFFFAOYSA-N 437.477 3.406 0 50 IGAA CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NCc2ccc(Cl)cc2)c1=O 20293477 HZMHTGYWNJRVJU-UHFFFAOYSA-N 437.927 3.424 0 50 IGAA CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(NS(C)(=O)=O)(C3)C2 100765444 OSGIRCJRKSAODN-IYYAYNBDSA-N 440.993 3.110 0 50 IGAA in-vitro Cc1cc2nc3n(c(=O)c2n1CC(=O)NCc1cccc(Br)c1)CCCCC3 169778373 BQSXEUVOBFQDPM-UHFFFAOYSA-N 443.345 3.312 0 50 IGAA O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC[C@H](c2ncc3n2CCCC3)C1 225710848 GHZGUIAYFJOHKA-FQEVSTJZSA-N 433.556 3.342 0 50 IGAA COc1ccc(Cn2cc(C(=O)OCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cn2)cc1OC 778457064 HRUDTSUEBJRUHV-DUPRYPCISA-N 441.528 3.046 0 50 IGAA CC[C@H]1NC(=O)N(c2cccc(NC(=O)NCCNc3nc4ccccc4s3)c2)C1=O 1466694178 FBLQNHVQWKELBE-OAHLLOKOSA-N 438.513 3.365 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc3ccccc3o2)C1 1857686925 JHWGLPGSPHMWDC-TYBLODHISA-N 425.573 3.262 0 50 IGAA CCc1cc(NCC[C@@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)n2ncnc2n1 1875287968 IDWZBAZSCPKHMU-CQSZACIVSA-N 426.488 3.091 0 50 IGAA Cc1c(NC(=O)N[C@@H](C)c2ncc(Br)cn2)nnn1Cc1ccccc1F 1875337401 YWZHMESTUQHVSI-JTQLQIEISA-N 434.273 3.209 0 50 IGAA C[C@@H](CCCO)CNc1ccc(S(=O)(=O)NCc2cccc3c2cnn3C)cc1F 1875342812 IJVOILKHBXWOQP-HNNXBMFYSA-N 434.537 3.011 0 50 IGAA Cc1cc(C)cc(-c2cn(Cc3cccc(C(=O)NCc4ocnc4C(=O)O)c3)nn2)c1 1875354663 ZXTZRKXOAUKEGC-UHFFFAOYSA-N 431.452 3.226 0 50 IGAA Cc1ccccc1[C@H]1CCCCN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896109 REIITQIHYAVLOE-YADHBBJMSA-N 445.519 3.123 0 50 IGAA CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 789430 AFMMMRKMOITIOS-UHFFFAOYSA-N 435.933 3.338 0 50 IGAA COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1N 1131642 NALIHXRXHZSHRP-UHFFFAOYSA-N 439.497 3.462 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1cccs1 2492099 LAZYUSMLIZUMKZ-DGCLKSJQSA-N 436.555 3.098 0 50 IGAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(C(F)(F)F)n(C)n1)CC[C@H](C)C3 2779092 FORIIFBMTQOTCQ-QMMMGPOBSA-N 425.436 3.027 0 50 IGAA O=C1N(c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 8768124 YKCOBHAFBJCQHI-JKSUJKDBSA-N 425.279 3.200 0 50 IGAA Cc1cccc(CN2CCC([C@@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)c1 11913623 NFOVGRGHQRCQEM-NVQXNPDNSA-N 448.567 3.228 0 50 IGAA O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1)N1CCCCCC1 12052562 ZZUVXNBZBWCAQM-UHFFFAOYSA-N 446.551 3.497 0 50 IGAA COc1ccc2nc(CCNC(=O)CC[C@@]3(Cc4ccc(C)cc4)CCC(=O)N3)[nH]c2c1 12054522 OGQNTHDCKZXFED-VWLOTQADSA-N 434.540 3.210 0 50 IGAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)Cc2ccc3nccnc3c2)c1 12439637 JNIVQKFJWHSNNN-UHFFFAOYSA-N 448.523 3.300 0 50 IGAA COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(C[C@H]3CC=CCC3)CC2)C1=O 14881545 ZBSRJTPZSUHZIK-NBGIEHNGSA-N 443.563 3.374 0 50 IGAA O=C(CCc1cnccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 14975823 GZHHYKMUKNZXIZ-SANMLTNESA-N 448.611 3.296 0 50 IGAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2ccc(Cl)cc2)c1=O 14988030 YXMXOEVNWLKCCH-UHFFFAOYSA-N 437.927 3.424 0 50 IGAA CCOC(=O)c1n[nH]cc1CN1CCC[C@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 15080490 AFAKEIFQAISAFV-JOCHJYFZSA-N 435.471 3.253 0 50 IGAA COC(=O)c1sc2nc(CN3CCOCC3)ccc2c1NC(=O)Cc1ccccc1C 19640084 QKRVMLGQHKZVOL-UHFFFAOYSA-N 439.537 3.405 0 50 IGAA Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3ccc(F)cc3Cl)ccc2[nH]1 20867106 ULIXCWOHELPKIG-OAQYLSRUSA-N 442.922 3.276 0 50 IGAA CCOc1ccc(N2C(=O)C[C@H](NCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 22943423 DFDPHQXJPPEZEL-DEOSSOPVSA-N 435.568 3.262 0 50 IGAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 65362784 UHMWCBGLDZYRRO-SFHVURJKSA-N 448.527 3.069 0 50 IGAA CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 241401148 NBLWJBHRIAFWCC-IBGZPJMESA-N 447.557 3.110 0 50 IGAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)N=C2O)cc1 252505819 VTZQWICCVXNDDN-LJQANCHMSA-N 440.887 3.208 0 50 IGAA CNC(=O)Nc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)ccc1F 804396574 GGOMAIHQTCSXTK-UHFFFAOYSA-N 447.426 3.234 0 50 IGAA O=C(CCc1ccccc1C(=O)O)NCc1ccccc1-n1cc(-c2cncs2)nn1 1875326528 KGNPFVJTTKNCLX-UHFFFAOYSA-N 433.493 3.338 0 50 IGAA CCO[C@@H](C)c1nc(C(=O)NS(=O)(=O)c2ccc(OC)c(Br)c2)cs1 2325735281 BIQGQQFCYLWAPZ-VIFPVBQESA-N 449.348 3.130 0 50 IGAA C[C@H](NC(=O)[C@@H](O)Cc1c(F)cccc1Cl)[C@H](O)c1ccc(Br)cc1 2325741332 UYDDGLHNQDISPC-POJUEXTFSA-N 430.701 3.383 0 50 IGAA C[S@@](=O)(=NC(=O)c1coc(C(F)(F)F)n1)C1CCN(c2ncc(Cl)cn2)CC1 2332239183 ZPRZFCKEQFSGOL-NDEPHWFRSA-N 437.831 3.044 0 50 IGAA O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2244299 WJQWIPAQNBOEBX-QHCPKHFHSA-N 444.487 3.337 0 50 IGAA in-vitro Cc1nn(Cn2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)n2)c(C)c1Cl 2803958 VJTOLSUIEIPDOL-UHFFFAOYSA-N 444.890 3.299 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1 12711354 KPLXEHJPIYKXCK-HXUWFJFHSA-N 431.577 3.017 0 50 IGAA CCC(CC)CN1CCC(O)(c2ccc3oc(C(=O)NC[C@@H]4COCCO4)cc3c2)CC1 14965420 VRQWAPUCXJWTCJ-OAQYLSRUSA-N 444.572 3.298 0 50 IGAA COc1ccc2ccccc2c1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)N1CCCCCC1 64120604 MZGDUTICXSGMKQ-KNQAVFIVSA-N 434.544 3.053 0 50 IGAA CN1CCC(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 67601956 COYANBJGRLDZEI-UHFFFAOYSA-N 435.977 3.130 0 50 IGAA CCOc1ccc(SCC(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)cc1 170602419 IWUPUFGEYSZYOO-UHFFFAOYSA-N 427.570 3.480 0 50 IGAA COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3cc(C)ccc3N1[C@H]2C(=O)c1cccs1 245256990 VKWBXJLBXLQMHT-ZIBCJSCZSA-N 436.533 3.161 0 50 IGAA CC(C)CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCCC[C@H]2CCO)c1=O 299786303 WQGSMGUUMBGKLF-IBGZPJMESA-N 431.577 3.116 0 50 IGAA CCOC(=O)N1CCC(NCc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)CC1 299802902 RYNZKAVQWDBACP-UHFFFAOYSA-N 438.503 3.294 0 50 IGAA Cc1ccc(C)c(OC[C@@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1C 485864271 PKAIQHSTTDGULV-HNNXBMFYSA-N 430.496 3.044 0 50 IGAA O=S(=O)(Nc1cccc(Cn2cncn2)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1 1875260704 UODNCEOJGZYZJF-UHFFFAOYSA-N 448.430 3.332 0 50 IGAA CN1C(=O)Cc2ccc(C(=O)Nc3ccc(-c4csc(N5CCOCC5)n4)cc3)cc21 1875264311 CKHOKQAMEHUYFP-UHFFFAOYSA-N 434.521 3.418 0 50 IGAA CCOC(=O)c1c(NC(=O)CN[C@@H](c2ccccn2)C2CCCC2)sc(C(N)=O)c1C 2325723703 HSGZWQOIRBDUMW-GOSISDBHSA-N 444.557 3.187 0 50 IGAA COc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 623524 VZQYOUNFQWGPGM-UHFFFAOYSA-N 434.319 3.161 0 50 IGAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)NCc2ccc(Cl)cc2)CC1 2854704 NUCRYGLVDKLOEX-UHFFFAOYSA-N 444.409 3.374 0 50 IGAA C/C=C(\C)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 11973986 PCEZKUQSQKQGKE-KCCVMSORSA-N 429.565 3.359 0 50 IGAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2ccc(=O)oc2)O3)c1 11983329 IFCXDOORDJLTLU-GOSISDBHSA-N 439.851 3.480 0 50 IGAA COc1cc(CNCC2(O)CCCCC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12111990 YJYHOPAUPTZELY-QFIPXVFZSA-N 434.621 3.484 0 50 IGAA CC1=C(C(=O)NCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2C)OCCO1 12203489 AHAQFERMKASIQL-UHFFFAOYSA-N 434.452 3.192 0 50 IGAA COc1cc(CNCCc2ccc(C)cc2)ccc1OC[C@H](O)CN1CCSCC1 12210747 SELQANUPFKIUBI-JOCHJYFZSA-N 430.614 3.124 0 50 IGAA CS(=O)(=O)c1ncc(CN2CCC3(C=Cc4ccccc43)CC2)n1C[C@H]1CCCO1 12300635 JLBINFOEPBUVRI-HXUWFJFHSA-N 427.570 3.026 0 50 IGAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14740743 DRTYMPGXODFYOK-HXUWFJFHSA-N 441.572 3.297 0 50 IGAA CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CCCC2)C1=O 14968801 JIVWKZDRBHTXNA-OFVILXPXSA-N 442.556 3.052 0 50 IGAA COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)c2c(-c3ccccc3)noc2C)c1 14997897 SCMNQYQXSZKVOI-LPHOPBHVSA-N 433.464 3.297 0 50 IGAA CC(=O)O[C@@H]1CC[C@]2(C=O)[C@@H]3CC[C@]4(C)C(=CC[C@H]4C4=CC(=O)OC4)[C@@H]3CC[C@@]2(O)C1 25556967 LWJKEWQLUWXOGC-JAWGUTFFSA-N 428.525 3.274 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)NCc1ccccc1Cl 169758006 NDAQUMJOTWWJMH-IBGZPJMESA-N 446.290 3.187 0 50 IGAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)Nc1cc(F)cc(F)c1 169780815 YGUSNOZQPBFCPY-SFHVURJKSA-N 433.798 3.134 0 50 IGAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 239275177 BGVZYDSCIOEJMY-DUBDDPSESA-N 432.320 3.365 0 50 IGAA Cc1noc(C)c1CCNC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 239539217 AVXDOHWUDNYAJG-UHFFFAOYSA-N 426.542 3.153 0 50 IGAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1 248125048 UFBGEQXFROUTKF-IPRDPGLQSA-N 435.911 3.388 0 50 IGAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263617152 MHJADAJAFHEJKZ-UHFFFAOYSA-N 429.455 3.019 0 50 IGAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 409414870 QCPCYFLQYBYLOM-OXJNMPFZSA-N 431.492 3.439 0 50 IGAA COCCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409415050 SAHUXLQJUMGPKJ-KNQAVFIVSA-N 440.588 3.398 0 50 IGAA biogenic COc1ccc(-n2nc(C(=O)N3C[C@@H]4COCC[C@]4(CO)C3)cc2-c2ccccc2)cc1 1772703003 WJUDWHOOEVHVIB-KBMIEXCESA-N 433.508 3.019 0 50 IGAA O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccc(-n2cnc3ccccc32)cc1 1875336562 BSOHHPVMPFKNBA-UHFFFAOYSA-N 437.459 3.236 0 50 IGAA Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 669183 UPVCSBYISGUQDB-AWEZNQCLSA-N 427.505 3.484 0 50 IGAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 2748661 WHWIFFFHCBTEIJ-KBPBESRZSA-N 425.312 3.461 0 50 IGAA O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(Br)cc1F 3290431 QUXJIAWWHUZABL-UHFFFAOYSA-N 442.248 3.123 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 8425240 UNUIPZQYUXCGRB-FGGAIWKESA-N 432.545 3.415 0 50 IGAA COC(=O)[C@H](NC(=O)CSc1nc(C)c(Cc2ccc(O)cc2)[nH]1)c1ccccc1 12372044 KOGNIHFTQKTBPJ-HXUWFJFHSA-N 425.510 3.137 0 50 IGAA COc1ccc(CN(C)CCOc2ccc(C)cc2)c(OC[C@H](O)CN2CCCC2)c1 12701474 QNDSKVCCCAUVGL-JOCHJYFZSA-N 428.573 3.350 0 50 IGAA COc1cccc(C[C@H](C2CCN(C(=O)[C@@H]3CCCO3)CC2)N(C)C(=O)c2ccco2)c1 14998123 JUPVLGUAFWODGB-GGAORHGYSA-N 440.540 3.389 0 50 IGAA COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@@H](O)CN1CCCCCCC1 15066179 ZCKPIYGIYKCAQX-QHCPKHFHSA-N 444.620 3.375 0 50 IGAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cnc(SC)nc2)CC1 15078959 RSJLMCKYAYWIOP-UHFFFAOYSA-N 428.558 3.143 0 50 IGAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)ccc3F)n2)cc1NC(C)=O 16650573 DKCRFGZLPWCWKY-UHFFFAOYSA-N 426.423 3.348 0 50 IGAA O=C1CN(Cc2nc3ccccc3[nH]2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 19866987 DMOLTGZPEIFCNN-QFIPXVFZSA-N 441.535 3.388 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(F)c4)ccn3n2)cc1 169775883 YRWHAFQQYJGQDW-UHFFFAOYSA-N 434.471 3.060 0 50 IGAA O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 252346932 KCUQSZVBQFZEBC-XAISMOLKSA-N 447.922 3.467 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cc1c(C)c2ccc(O)cc2oc1=O 409413279 GZKSHOHGTGXJFB-PGRDOPGGSA-N 442.556 3.089 0 50 IGAA biogenic O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 426197554 DDEFRRNYTHUBKL-AUHPCJGPSA-N 448.394 3.380 0 50 IGAA COc1cc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)ccc1OCCN1CCCCC1 1704309634 ZXZFPUQQCYHHNL-DEOSSOPVSA-N 432.605 3.456 0 50 IGAA COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 1052451 QZSWELUZWBOHHN-GOSISDBHSA-N 426.494 3.094 0 50 IGAA COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 1148389 GNLRYOXIFAOANK-UHFFFAOYSA-N 445.324 3.493 0 50 IGAA CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 2887030 AVBGBODNRKPTRV-CQSZACIVSA-N 437.949 3.271 0 50 IGAA CCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1 6244980 IPTNMJGWNGDOHR-UHFFFAOYSA-N 429.473 3.453 0 50 IGAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 6573840 CLEUNUKJCYNHQG-IAGOWNOFSA-N 431.558 3.317 0 50 IGAA Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O 11617039 CUIHSIWYWATEQL-UHFFFAOYSA-N 437.529 3.139 0 50 IGAA biogenic,fda O=C(c1cccs1)N(Cc1ccc(OCCN2C(=O)CCC2=O)cc1)C[C@H]1CCCO1 12201025 HGKUCEFQSNPETD-LJQANCHMSA-N 442.537 3.097 0 50 IGAA Cc1nc(C)c(CC(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)s1 12318906 ASTJKBHLHBOARQ-LJQANCHMSA-N 428.602 3.417 0 50 IGAA CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 13680086 ABXIUTKVUCNJDO-UHFFFAOYSA-N 443.569 3.258 0 50 IGAA COc1ccc(-c2noc(CN(C)C[C@H]3COc4ccccc4O3)n2)c(OC)c1OC 14976463 VYYGTRCUNMJFDG-AWEZNQCLSA-N 427.457 3.034 0 50 IGAA Cc1cccnc1CCNCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccc(Cl)cn12 15061502 RZEMOHIFFBWVMI-CALCHBBNSA-N 441.963 3.273 0 50 IGAA CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 16649456 NOQFOXPKVARROP-UHFFFAOYSA-N 436.555 3.080 0 50 IGAA Cc1ccccc1-c1cccc(CN2CCC(n3cc(C(=O)N(C)CCO)nn3)CC2)c1 19885266 AWSFPYZQNVWBHR-UHFFFAOYSA-N 433.556 3.155 0 50 IGAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2c(F)cccc2F)CC3)c1 20212088 LCKOAJFNNINWSP-OAHLLOKOSA-N 441.482 3.114 0 50 IGAA CCN1CCN([C@@H]2CCc3c(sc4ncn(Cc5ccc(F)cc5)c(=O)c34)C2)CC1 22910009 OOWTUBHYTOWPPH-GOSISDBHSA-N 426.561 3.140 0 50 IGAA CCN1CCN(Cc2nc(N(C)Cc3ccc(OC)c(OC)c3)c3ccccc3n2)CC1 22923339 AMMAYMQOORSZLS-UHFFFAOYSA-N 435.572 3.421 0 50 IGAA Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2cc3ccccc3s2)cc1 55071588 YFYYUQLNZUETPK-CTNGQTDRSA-N 432.553 3.328 0 50 IGAA Cc1cc(C)n(CC(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 55269643 IVDDMCHKJPCWFT-NRFANRHFSA-N 449.521 3.332 0 50 IGAA CNC(=S)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100867334 SAEQHMZUYBQWIO-QGZVFWFLSA-N 446.370 3.130 0 50 IGAA O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 230006116 YOVVHYBLJBTBBX-ZLGUVYLKSA-N 432.476 3.325 0 50 IGAA COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn2cccnc2n1 241720921 QTJYAMVLFRLSFT-GOSISDBHSA-N 437.500 3.172 0 50 IGAA Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCc4c[nH]c5ccccc45)C[C@@]34C=C[C@H]2O4)cc1 252693353 CVKSAWFNCUVBLV-VUMQFKOGSA-N 427.504 3.440 0 50 IGAA biogenic O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cccc(N2Cc3ccccc3C2)c1 670448935 GNLVGUNLLWIXNI-VWLOTQADSA-N 428.536 3.405 0 50 IGAA C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CCC1(C)CC1 1303842917 FNCOXKAQKFHXRS-AWEZNQCLSA-N 437.997 3.295 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)N2CCCc3cc(S(=O)(=O)N(CC)CC)ccc32)C1 1875264214 HGWDTORWMXLVKA-LJQANCHMSA-N 436.622 3.006 0 50 IGAA C[C@H](Sc1nc(CC(=O)N[C@H](C)c2nnc(-c3ccccc3)s2)cs1)C(N)=O 2325852463 HAVZCOICLVDXHO-MNOVXSKESA-N 433.584 3.047 0 50 IGAA CC1(C)C[C@H]1C(=O)N1CCC[S@](=O)(=NC(=O)c2csc(N3CCCCC3)n2)CC1 2332238469 AMYRCMRMKFGAJL-PEGYKEAPSA-N 438.619 3.020 0 50 IGAA CC(=O)c1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 12380200 YGSIXNSCOHUNAC-UHFFFAOYSA-N 429.325 3.278 0 50 IGAA COCCN(C)C(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 14997800 SHYKUBQSWXLMRB-UHFFFAOYSA-N 430.530 3.347 0 50 IGAA COCc1c(C(=O)NCc2nonc2C)c(=O)cc(C)n1Cc1cccc2ccccc12 15002317 TZUXRSLFZLMTJP-UHFFFAOYSA-N 432.480 3.126 0 50 IGAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 16626289 FEKOAWFBOGANOO-CQSZACIVSA-N 442.368 3.247 0 50 IGAA O=C(NCCN1CCOCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 19758235 WSTAYLFXVKEILC-UHFFFAOYSA-N 427.508 3.125 0 50 IGAA O=C1[C@H]2[C@@H](c3ccco3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 100722339 MRJZHFXLXKCAMK-YTFSRNRJSA-N 445.475 3.167 0 50 IGAA CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 169775264 FQNJBZZGFCCBMY-HXUWFJFHSA-N 428.508 3.062 0 50 IGAA CN(C)C(=O)CSc1nnc(NC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)s1 1506418901 WOFWLVKWWWJDGI-INIZCTEOSA-N 437.566 3.023 0 50 IGAA Cn1ncc2c(O)nc(CN3CCC[C@]4(CCc5cnc(-c6ccccc6)nc54)C3)nc21 1704337280 UPGNQCUGJJDEFB-DEOSSOPVSA-N 427.512 3.006 0 50 IGAA Cn1cc(Cl)c(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)n1 1857706798 RCCWXBVRMRKSNG-SFHVURJKSA-N 444.963 3.312 0 50 IGAA COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCc2nc(Cc3ccc(F)cc3)no2)cc1 1875261157 JQFIQYBZSMTWNP-CUXKMMBLSA-N 439.443 3.069 0 50 IGAA O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 880094 JVUJNDYTNHCICH-QGZVFWFLSA-N 442.459 3.196 0 50 IGAA O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O 10060512 HNYNLWFHMOELIW-HNNXBMFYSA-N 429.270 3.159 0 50 IGAA CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC2CCN(C3CCN(C)CC3)CC2)c1C 11716819 LITLCXCXUUZNDG-UHFFFAOYSA-N 432.609 3.077 0 50 IGAA COc1ccc(C[C@@]2(CCC(=O)N[C@@H](C)c3nc(C)cs3)CCC(=O)N2)cc1OC 12097185 CRMJBPOYZJCCBV-OYHNWAKOSA-N 431.558 3.318 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc2)CC1 12587248 NSUYNSRBFAHURZ-QGZVFWFLSA-N 426.513 3.202 0 50 IGAA O=C(Cc1ccc(N2CCC(NC3CCOCC3)CC2)cc1)NCCc1cccc(F)c1 15068977 MZFXPSADQMRHHY-UHFFFAOYSA-N 439.575 3.465 0 50 IGAA COc1ccc(NC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CCCCC3)cc1 17097946 LVPGLILJTJIISA-UHFFFAOYSA-N 432.498 3.318 0 50 IGAA Cc1cc(N2CCN(CCO)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21150467 HDHPXCNUDGUIFL-UHFFFAOYSA-N 439.869 3.491 0 50 IGAA Cc1cc(C)c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(-n2cccn2)c1 22918877 JSLUZIRDBYYKIH-DEOSSOPVSA-N 439.648 3.231 0 50 IGAA COC(=O)C1=C(C)N=c2sc(=Cc3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccs1 254312096 SAJAOJGNWLUDKU-QGZVFWFLSA-N 430.938 3.123 0 50 IGAA COCCn1c([C@@H](C)NC(=O)COc2ccc3c(C)cc(=O)oc3c2)nc2ccccc21 334162854 ZZXAETBUVHFNGJ-MRXNPFEDSA-N 435.480 3.354 0 50 IGAA COc1ccncc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 653912882 NAXWKPFXCOBXLE-UHFFFAOYSA-N 441.509 3.241 0 50 IGAA C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(c2ccc3c(c2)S(=O)(=O)CC3)C1=O 772085002 ZRVCXGIAHHVHKC-GOSISDBHSA-N 425.293 3.295 0 50 IGAA CN(C)C(=O)CSc1nnc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)s1 1506418904 WOFWLVKWWWJDGI-MRXNPFEDSA-N 437.566 3.023 0 50 IGAA Cc1nonc1C(=O)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705446 ICPFSQVUQJFKFW-LJQANCHMSA-N 426.517 3.007 0 50 IGAA O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)NC[C@H](CO)Cc1c(F)cccc1Cl 1875262110 ZVDSFWOTQAXHIY-SZNDQCEHSA-N 448.922 3.145 0 50 IGAA NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3cccc4ccccc34)o2)cc1 2325873050 XBQWNIBEOIEBBV-UHFFFAOYSA-N 427.460 3.245 0 50 IGAA CCc1ccccc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 1137751 ULODUQGMIPJYRO-UHFFFAOYSA-N 437.521 3.182 0 50 IGAA CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1cc(OC)c(OC)c(OC)c1 1457601 RVNHNPMPQXDIOM-UHFFFAOYSA-N 433.501 3.414 0 50 IGAA Cc1ccc(N(C(=O)COc2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 9030311 XIVGCXBTXKBVIA-QGZVFWFLSA-N 436.327 3.480 0 50 IGAA COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(C/C=C/C(C)C)CC2)C1=O 11788438 HEBIYQLIEGGILP-ZHBSTKLQSA-N 443.588 3.099 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)NCCc1nnc(SC[C@H]2CCCO2)n1C 12150386 BPQRXNQBYSUJGW-MRXNPFEDSA-N 427.530 3.022 0 50 IGAA COc1ccccc1N1CCC(N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)CC1 12448646 TYUCKDGGNGORFG-UHFFFAOYSA-N 440.632 3.119 0 50 IGAA CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCC(C)(C)CN(C)C)C3 19853382 UXVFOLLGDYYFFD-KRWDZBQOSA-N 434.650 3.308 0 50 IGAA CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 20500251 GGXCXLFUDAFLPL-FQEVSTJZSA-N 443.887 3.030 0 50 IGAA O=C(O[C@H]1CS(=O)(=O)C[C@H]1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 25577930 HFDZPMWEYOOGJM-YADHBBJMSA-N 435.501 3.356 0 50 IGAA COc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)n2)cc1 28292824 CIZWUFIPRQAHCQ-JOCHJYFZSA-N 432.524 3.198 0 50 IGAA COc1ccc(CCNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)[C@@H](C)CC4)cc1OC 100663104 DWYJUBJMEBUPKT-ZDUSSCGKSA-N 440.471 3.343 0 50 IGAA CCOCc1ccccc1CNC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 170595761 DGPIBQXVUDHRRZ-UHFFFAOYSA-N 431.533 3.385 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]1[C@H]1CCCN12 249698697 WFDQUOKRUGEQJS-QILISPFLSA-N 429.520 3.149 0 50 IGAA CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 252517952 VXZVDOIXGKLBDR-MZLICYQSSA-N 431.577 3.039 0 50 IGAA CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)c1nc2ccccc2n1C 334162699 XTVHJBJJQSFQLZ-LQJIQPLVSA-N 429.590 3.112 0 50 IGAA Cc1ccc(C(=O)N2C[C@@H](O)Cc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 447712051 CYVSPQKFCYCKLD-NRFANRHFSA-N 436.533 3.037 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCc3cc(F)ccc3C2)C1=O 768902918 IQDJLBVPDUZUME-RUZDIDTESA-N 431.467 3.331 0 50 IGAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2ccc(C)c(NC(=O)[C@@H]3CCCO3)c2)c1 952976722 OHZUIVIOPYLYGB-NRFANRHFSA-N 438.528 3.173 0 50 IGAA C[C@@H](NC(=O)[C@H]1Cc2ccccc2N(C)C1=O)c1cn(-c2ccc(Cl)cc2F)nn1 1875340554 IBCBUGFPGFQKGH-IUODEOHRSA-N 427.867 3.072 0 50 IGAA O=C(NCc1cc(-c2ccc(Cl)cc2)no1)N1CC(c2nc(-c3ncccn3)no2)C1 1875353116 KFAXBEIHTMUSLS-UHFFFAOYSA-N 437.847 3.144 0 50 IGAA CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Br 2884373 VKJFZBFMKHADKR-UHFFFAOYSA-N 425.348 3.359 0 50 IGAA COc1ccc(-n2c(CSCc3ccccc3)nnc2SCC(N)=O)c(OC)c1 6289576 NFYNGPBLFIFYEY-UHFFFAOYSA-N 430.555 3.295 0 50 IGAA CCOC(=O)N1CCC(N2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1 12207534 GMZYXABNOGFIPB-OAQYLSRUSA-N 425.533 3.286 0 50 IGAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccc(C)s3)C2)nn1 12283060 LVDAMXNTBISCFY-PXNSSMCTSA-N 445.589 3.089 0 50 IGAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 39388451 FAYHQOHACJHPIH-CQSZACIVSA-N 433.434 3.439 0 50 IGAA CO[C@@H](C)C(=O)N(CC(F)(F)F)CC1(c2ccccc2)CCN(C(=O)[C@@H](C)OC)CC1 170600399 BMRSLBVQXUECLU-SJORKVTESA-N 444.494 3.008 0 50 IGAA COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 216610114 YEWKVMBYNZAGPX-LSBAASHUSA-N 437.584 3.375 0 50 IGAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 229978935 HGEYGPHKXWJQND-BHDDXSALSA-N 444.443 3.230 0 50 IGAA COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3C(=O)O)[C@H]2C1=O 245311631 PFENJNKAHWXPSP-YPAWHYETSA-N 444.443 3.445 0 50 IGAA C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 248044907 WGDYMXAVYKISAG-GCJKJVERSA-N 447.539 3.395 0 50 IGAA O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 762393168 VSTQBKVHCKLWGM-JTHBVZDNSA-N 433.533 3.085 0 50 IGAA O=C1N[C@H](CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C(=O)Nc2ccccc21 888088246 YPTFQMTUNGLPCY-RDTXWAMCSA-N 434.521 3.143 0 50 IGAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1875255754 UIPBRMIGGSVKND-SFHVURJKSA-N 444.539 3.265 0 50 IGAA Cc1ccc(CC(=O)N[C@@H](CC2CCOCC2)c2cn(C(C)(C)C(=O)O)nn2)cc1Cl 1875355118 ASFINYOUWKEQAD-SFHVURJKSA-N 448.951 3.276 0 50 IGAA O=C(O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1 2864546 QOVWVFHYYYYHPD-UHFFFAOYSA-N 440.433 3.136 0 50 IGAA COc1ccc(CCNC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC 5041446 CHBBULIVWJZOAC-RMKNXTFCSA-N 425.598 3.452 0 50 IGAA COc1ccc(CCNC(=O)CCSCCC(=O)NCCc2ccc(OC)cc2)cc1 8432582 VKGKEOKVKCPEMA-UHFFFAOYSA-N 444.597 3.235 0 50 IGAA O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 11790230 BVJOFNXSCCJNEH-SFHVURJKSA-N 433.474 3.371 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 11816493 XCGUKCCARLLFPF-QHCPKHFHSA-N 429.538 3.466 0 50 IGAA COC(=O)c1cc(CNC(=O)C2(N3CCCC3)CCCC2)cc(NC(=O)c2ccoc2)c1 12157808 NTQDXZGBNDUMJW-UHFFFAOYSA-N 439.512 3.343 0 50 IGAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2C(=O)c3ccccc3C2=O)c1C 12299129 UQIPIDBWEIGZPX-HXUWFJFHSA-N 428.492 3.279 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCCn2cncn2)C1 12707883 YDPIIUXIXTYWGZ-MRXNPFEDSA-N 433.940 3.378 0 50 IGAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C3CCN(C(C)C)CC3)C2)c1 14745713 XTZFCSSCLNQCLR-DEOSSOPVSA-N 431.621 3.253 0 50 IGAA CCc1ccc(CN2CCC([C@@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1 14888643 YDNYLXDSLQHEIH-XMMPIXPASA-N 425.529 3.226 0 50 IGAA COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN(C)Cc1cnn(C)c1C 19636467 QMRRNPXDKBKPTK-UHFFFAOYSA-N 442.541 3.323 0 50 IGAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC 19771089 HYGUTCLNIUHNEO-OAQYLSRUSA-N 427.520 3.270 0 50 IGAA O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1n[nH]c2ccccc2c1=O 170625160 YVARDMXOOZRLJL-UHFFFAOYSA-N 431.414 3.420 0 50 IGAA Cc1noc(C)c1CN(C1CC1)S(=O)(=O)c1cnc2onc(C3CCOCC3)c2c1 1875343416 IFZLTAZLDKDYAT-UHFFFAOYSA-N 432.502 3.075 0 50 IGAA CC(=O)c1ccccc1-c1cn([C@H]2CC[C@@H](C(=O)NCc3occc3C(=O)O)CC2)nn1 1875353686 CDMLJBUCWMFSJX-IYBDPMFKSA-N 436.468 3.487 0 50 IGAA COc1ccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1 1212075 ZIRMIZXHXVTMLL-UHFFFAOYSA-N 425.444 3.233 0 50 IGAA CCn1cc(S(=O)(=O)Nc2cnn(COc3ccc(Br)cc3)c2)c(C)n1 2804223 HZYURUIABLQQDA-UHFFFAOYSA-N 440.323 3.008 0 50 IGAA Cc1cccc(CNC(=O)c2sc3ncnc(NC[C@@H]4CCS(=O)(=O)C4)c3c2C)c1 11996132 BYDNXSLGTZYIFU-INIZCTEOSA-N 444.582 3.085 0 50 IGAA Cc1cnc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CSc2ccccc2)C3)cn1 12160075 QNJCKOPXRGISQH-UHFFFAOYSA-N 447.564 3.095 0 50 IGAA COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12299004 FTMQQLPIDYOBFD-OAQYLSRUSA-N 437.945 3.133 0 50 IGAA Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)n1 12594119 PWNNLCYMENITFW-JOCHJYFZSA-N 448.592 3.468 0 50 IGAA COc1ccc2cc(NC(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)ccc2n1 170620633 KPTMTELUZZYQJP-RBUKOAKNSA-N 425.485 3.164 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCC[C@H]3c3ccsc3)CC2)cc1 241588292 PBROKNQRNLRGII-NQIIRXRSSA-N 447.626 3.115 0 50 IGAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)C[C@@H]1OCCc3ccccc31)CC2 431984291 GOUBQKOHKWKAAN-PMACEKPBSA-N 425.481 3.308 0 50 IGAA O=C(CCN1CCC[C@@H]1c1ncc(-c2ccc(F)cc2)[nH]1)N1CCN(c2ccccn2)CC1 440756975 RXIAUPGOAOBROW-JOCHJYFZSA-N 448.546 3.487 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3nc(-c4cccnc4)no3)CCCCC2)o1 1857526955 WLJSPTVKQICKCL-UHFFFAOYSA-N 438.484 3.050 0 50 IGAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCc3c(sc4ncnc(N)c34)C1)CC2 1875261501 DYYLTYDERUJZOF-SNVBAGLBSA-N 448.474 3.081 0 50 IGAA NC(=O)c1ccccc1OS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1 2325879365 RYZVKDLDMBIZOF-UHFFFAOYSA-N 439.312 3.439 0 50 IGAA COc1cccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 1072192 YTSRLBUAOXFMKH-LBPRGKRZSA-N 436.249 3.291 0 50 IGAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c(O)cc1Br 1074590 IWEOUVWCSFFPHP-SFHVURJKSA-N 447.285 3.492 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)CC1 11816048 BZGYTDBVWCHSRJ-UHFFFAOYSA-N 439.541 3.423 0 50 IGAA CC[C@H](C)CC(=O)N1CCC([C@@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 12213827 ZKYAODPCQOLDRS-UPCLLVRISA-N 443.544 3.291 0 50 IGAA O=C1N(Cc2cccnc2)C(=O)C2(CCN(C3CCOCC3)CC2)N1CCc1ccccc1 14754504 KIBONSRHXXMTHL-UHFFFAOYSA-N 448.567 3.102 0 50 IGAA COc1ccc(-c2cc3nc(C)cc(N4CCN(c5ccccn5)CC4)n3n2)cc1OC 15670884 IAONNXZACSYXSA-UHFFFAOYSA-N 430.512 3.444 0 50 IGAA Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCOCC2)c2cccc3ccccc23)cc1 20170849 JVZANHZCAVJCTR-OAQYLSRUSA-N 440.565 3.037 0 50 IGAA Cc1ccn(C[C@](C)(O)C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c(=O)c1 442974716 RRIKOWBIMARMBH-QFIPXVFZSA-N 447.373 3.251 0 50 IGAA Cc1cc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c2cccc(Cl)c2n1 670447930 UFUZGNBADPXIKG-OUXPZVHUSA-N 446.982 3.494 0 50 IGAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC(C)C)cc1Br 1129651 OEFOGKSGWJXPRM-MRXNPFEDSA-N 427.295 3.436 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)ncn1 2856721 NBWPSLPTRHDGBM-UHFFFAOYSA-N 435.412 3.208 0 50 IGAA Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccncc1 9095691 OCXMASLAIKVZGC-UHFFFAOYSA-N 429.473 3.025 0 50 IGAA CC1=C(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)OCCO1 11813487 XVHRXPZUBROSAS-DEOSSOPVSA-N 440.584 3.152 0 50 IGAA COc1cc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc2c1OCO2 12079045 VWBNPYFKXJUNSN-KRWDZBQOSA-N 446.573 3.203 0 50 IGAA COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C12CCN(Cc1ccc3c(c1)CCO3)CC2 12133056 OPWSLFBQPPTGPA-QFIPXVFZSA-N 434.536 3.178 0 50 IGAA CCCc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)Cc4ccc(OC)cc4)CC[C@@H]32)n(C)n1 12164803 LXJDLHUYPVHANS-KNQAVFIVSA-N 438.572 3.077 0 50 IGAA Cc1ncsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 12429772 OBFQXERKYSGGGD-OAQYLSRUSA-N 440.613 3.475 0 50 IGAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12613061 GLWOFOFLMRPVSO-OAQYLSRUSA-N 437.945 3.117 0 50 IGAA CN(Cc1ccsc1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 15079547 ZBTAEKVPTYBJKR-UHFFFAOYSA-N 442.990 3.477 0 50 IGAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 15919212 GLYJGWYFCCOXAD-KRWDZBQOSA-N 436.961 3.108 0 50 IGAA COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1cccc(C)c1 16293622 YTQMGKAELPUWNJ-JOCHJYFZSA-N 433.512 3.448 0 50 IGAA CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 44901776 LUMRJCWREDZCSL-KRWDZBQOSA-N 426.542 3.437 0 50 IGAA COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccc(Cl)cc3)ccc1=O)CC2 61720288 NRUWNEZKXZWVEV-UHFFFAOYSA-N 439.899 3.166 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 77329707 AOFYOBUOTPGFNA-HSZRJFAPSA-N 444.553 3.222 0 50 IGAA c1ccc(-c2noc(-c3ccn4c(CN5CCN(c6ccccn6)CC5)nnc4c3)n2)cc1 169777115 MTUJRGTWKTVBSN-UHFFFAOYSA-N 438.495 3.164 0 50 IGAA C[C@H](CCc1cccc(F)c1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225716415 WBVHWCXEIVNHJB-WIYYLYMNSA-N 444.522 3.367 0 50 IGAA O=C(OCC(=O)c1cccs1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239165108 NLPBVTSDDKPGTC-NQDKFLQJSA-N 433.485 3.345 0 50 IGAA O=C(c1ccc(S(=O)(=O)Nc2noc(-c3ccccc3F)n2)cc1F)N1CCCC1 328593970 FGUCWLSIUMCEFN-UHFFFAOYSA-N 434.424 3.052 0 50 IGAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857705151 VBQDBRXAGTVJHO-OAQYLSRUSA-N 446.617 3.287 0 50 IGAA CCC[C@@H](C)C(=O)N(C)Cc1ccccc1OCc1cn(-c2cncc(C(=O)O)c2)nn1 1875326873 PTDWJGNFIACZDL-MRXNPFEDSA-N 437.500 3.334 0 50 IGAA CC(C)(Cc1cn([C@H]2CCCN(C(=O)c3cc4ccncc4cc3F)C2)nn1)C(=O)O 1875356077 SQQXBRRDYKRESA-KRWDZBQOSA-N 425.464 3.096 0 50 IGAA C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)OCO2 2325702955 IERKMWNBJRMAIW-NSHDSACASA-N 427.438 3.164 0 50 IGAA CCC(CNC(=O)[C@H](C)n1cnc2ccccc21)CNC(=O)[C@H](C)n1cnc2ccccc21 2325725729 WWZLKYWFHPPHDK-ROUUACIJSA-N 446.555 3.467 0 50 IGAA CCc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 1051805 VEHIBDTWZPGKFG-LJQANCHMSA-N 428.510 3.270 0 50 IGAA c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1 6566565 WAHZGOBRKWVALN-UHFFFAOYSA-N 442.600 3.071 0 50 IGAA in-vitro COc1cc(CN2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)ccc1O 11872232 FOFAKOBXMLUVGS-VWLOTQADSA-N 437.540 3.214 0 50 IGAA COCCn1c(CN2CCCC[C@@H]2COC)cnc1S(=O)(=O)C1CCCCCC1 12202633 UZOUQVOFYSVNOO-GOSISDBHSA-N 427.611 3.027 0 50 IGAA CC1=C(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)OCCO1 12314953 LWFCDBKSHUCNGD-HSZRJFAPSA-N 428.573 3.493 0 50 IGAA O=C1CC[C@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CN1Cc1ccc(Cl)cc1 19146992 ZWEHVHSTKGBUPB-NRFANRHFSA-N 440.975 3.208 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)CC1 55053253 WRJBSGAYMBQEOB-LJQANCHMSA-N 428.602 3.124 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1ccc2ncccc2c1 55090715 FBPNHUGNAUFSPX-NRFANRHFSA-N 440.906 3.034 0 50 IGAA CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 61719773 PGLUASXFGZCFSD-UHFFFAOYSA-N 438.528 3.120 0 50 IGAA Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1C[C@@H]1COc2ccccc2O1 229384481 VVBVEWQQUUXWBX-GUDVDZBRSA-N 434.492 3.079 0 50 IGAA Cc1cc(Br)c(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239047000 GBTWCVJQXKPJCD-JROGXLHOSA-N 449.732 3.403 0 50 IGAA Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)c2c1 473640678 IXAJTRZUYJASGJ-UHFFFAOYSA-N 427.512 3.129 0 50 IGAA Cc1ccccc1-c1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)n[nH]1 486842086 PXFGDGXLJCVUPO-UHFFFAOYSA-N 425.510 3.347 0 50 IGAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 952969972 PNXUYWSJDHWKSO-CYBMUJFWSA-N 428.395 3.323 0 50 IGAA O=C1NCCc2ccc(-n3ccnc3-c3ccc(OCCCCN4CCOCC4)cc3)cc21 1772816044 FHOUIPIVVJRBGM-UHFFFAOYSA-N 446.551 3.316 0 50 IGAA COc1cc(C)cc2c(C)c([C@H](C)NC(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)oc12 1875391816 CCQGRGYBAPRGTF-DHSIGJKJSA-N 439.516 3.346 0 50 IGAA O=C(C[C@H]1C[C@H]2C=C[C@H]1C2)N[C@@H](Cc1cc(I)ccc1F)C(=O)O 2325876172 MBWXLDZCRKJXBD-OVZMXSCWSA-N 443.256 3.145 0 50 IGAA CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)(C)C)=C(N)O1 706078 UGMMHDQZCJPGCL-HSZRJFAPSA-N 428.485 3.034 0 50 IGAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 2684052 ZFZCXBOMQZQCQQ-UHFFFAOYSA-N 432.546 3.220 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 8454856 MFHVNQGWTUMFLM-BXBHGGAKSA-N 428.897 3.045 0 50 IGAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9226925 KFQHZSHCUPUYLP-QZTJIDSGSA-N 441.553 3.241 0 50 IGAA COc1ccc(CCN2C(=O)CC[C@H]2CCNCCOc2ccc(F)cc2)cc1OC 11996962 CCCCFSKYBYJDAK-FQEVSTJZSA-N 430.520 3.435 0 50 IGAA COc1cc(CN(C)CCn2ccnc2C)ccc1OC[C@H](O)CN(C)C1CCCCC1 12316701 JMOXQVBYBXXLFG-HSZRJFAPSA-N 444.620 3.336 0 50 IGAA CCOC(=O)C1=C(COc2ccc(C=O)cc2OC)NC(=O)N[C@@H]1c1cc(C)ccc1C 12412520 QUTPUZAIHZDMTN-JOCHJYFZSA-N 438.480 3.375 0 50 IGAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2cccnc2OC)C1 12584851 MXCSFBNMBBUIAX-FQEVSTJZSA-N 440.588 3.015 0 50 IGAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 14742693 LSJWMCCLDYGFJQ-XBXARRHUSA-N 438.528 3.023 0 50 IGAA CC(C)C(=O)N1CCc2c(c(C(=O)NCCCc3ccccc3)nn2Cc2ccncc2)C1 14746302 JKXQLSSPHUJJST-UHFFFAOYSA-N 445.567 3.230 0 50 IGAA Cc1nn(C)cc1CNCc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 14990363 GKDKQHKVPHOKTG-UHFFFAOYSA-N 434.471 3.249 0 50 IGAA COc1ccc(CNCc2cc(C)no2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 15069471 QCCOLPLCUYMFCQ-NRFANRHFSA-N 425.529 3.153 0 50 IGAA CCCCC12CN3CC(C)(CN(C1)C31C(=O)N(CC)c3ccc(Br)cc31)C2=O 19321243 NRWRJXXOSAXDNU-UHFFFAOYSA-N 446.389 3.365 0 50 IGAA COc1cc2c(cc1OC)CN(C(=O)c1sc3nc4c(cc3c1N)CN(C)CC4)CC2 19691050 CULRTJXZOINHCW-UHFFFAOYSA-N 438.553 3.082 0 50 IGAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(OC(F)(F)F)cc1 19874065 CVJHCPZQGFLCFT-UHFFFAOYSA-N 437.418 3.070 0 50 IGAA CN(C)CCN(Cc1ccccc1OC[C@@H](O)CN1CCSCC1)C1CCCCC1 20205231 WYRBNVDISDDTPI-QHCPKHFHSA-N 435.678 3.171 0 50 IGAA Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 23129781 QSXAODLDLZPLLO-INIZCTEOSA-N 425.483 3.414 0 50 IGAA O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 58133888 SAPAEMOEEPGPLO-QFIPXVFZSA-N 430.508 3.104 0 50 IGAA COCCCN1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@@H]2C(=O)Nc1ccc(OC)cc1 169691366 ZYEMSLMVSAXYLQ-JTAQYXEDSA-N 441.553 3.326 0 50 IGAA O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169778129 BOUSWEHODXERKH-ZDUSSCGKSA-N 434.378 3.191 0 50 IGAA COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3C(=O)O)N(c3ccccc3)O[C@H]2C1=O 230041208 PFENJNKAHWXPSP-BHDDXSALSA-N 444.443 3.445 0 50 IGAA Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCC3 238924061 QRKDAQJBVGQZCO-BZUAXINKSA-N 427.497 3.365 0 50 IGAA CN(Cc1ccco1)C(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 263615855 FOLGGYSXULKGHM-JOCHJYFZSA-N 448.523 3.258 0 50 IGAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CC=C(c2cccc3ccccc23)CC1 446085385 YUZMFLBLEVMVDB-UWXQAFAOSA-N 441.531 3.446 0 50 IGAA CC1(C)C(=O)Nc2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccc(OC(F)(F)F)cc3)cc21 481810648 PVNDKBATQQTKGA-QGZVFWFLSA-N 447.413 3.128 0 50 IGAA C[C@H]1COc2ccccc2CN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 782501505 SIRYFDMYNMLXDB-QLXKLKPCSA-N 443.503 3.417 0 50 IGAA CCCNC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(C)c(C)cc3C)CC(=O)N2[C@H]1CC(C)C 1857729166 LLWBQAYHPSIMNX-BVSLBCMMSA-N 427.589 3.226 0 50 IGAA C=CC(=O)N1CCC(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1 1875371687 IYUYPRDECGQWIK-HXUWFJFHSA-N 443.544 3.358 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 628085 JASFXTRWRDCRNC-PZHBDVNGSA-N 448.544 3.115 0 50 IGAA CN(c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1)S(C)(=O)=O 665751 ROBHTSXHGPYQGP-UHFFFAOYSA-N 429.542 3.397 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 1167514 KQKKZMKQWANHAW-UHFFFAOYSA-N 445.522 3.247 0 50 IGAA O=C(CSc1ccccc1)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 2850515 KHKUMFCMKIMABG-UHFFFAOYSA-N 431.473 3.358 0 50 IGAA O=C(NCc1cccnc1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 8846286 PGYSIESHTQVFOB-SFHVURJKSA-N 435.505 3.340 0 50 IGAA O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 12187083 CITWIBXKKHFDFM-UHFFFAOYSA-N 425.916 3.036 0 50 IGAA Cc1ccc(OCCN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(C3CC3)C2=O)cc1 12217152 RUVIVGLTNGPCKJ-AREMUKBSSA-N 434.536 3.390 0 50 IGAA CC[C@H](NC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1)c1ccncc1 12448108 AUWHJWBLCCKUBS-QFIPXVFZSA-N 425.529 3.369 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 14976575 XLGDSXDFEWWTMV-HXUWFJFHSA-N 442.604 3.050 0 50 IGAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2F)CC1 20045496 QSWQOZWIDKZGRJ-UHFFFAOYSA-N 440.540 3.487 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 20773757 LCLAGFWBAXLRPS-UTKZUKDTSA-N 437.918 3.114 0 50 IGAA COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 29118586 OFHXXBRBGWUOHR-NYYWCZLTSA-N 429.314 3.456 0 50 IGAA in-vitro COCCNC(=O)[C@@H]1C[C@H](NCc2cc(C)ccc2C)CN1Cc1cccc(Cl)c1 32577679 XVIKWZTZGUOPMN-GOTSBHOMSA-N 429.992 3.452 0 50 IGAA Cc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239439984 ZZTQHWCRWRIIJJ-YKEUPNAJSA-N 429.314 3.138 0 50 IGAA CC(C)COC1CCN(S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 253419053 HRESAJFDGPPYJN-FQEVSTJZSA-N 438.590 3.112 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1 740791831 DSOAXIDBQVAKGI-NRFANRHFSA-N 433.508 3.057 0 50 IGAA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1 740791832 DSOAXIDBQVAKGI-OAQYLSRUSA-N 433.508 3.057 0 50 IGAA COc1cc(-c2onc(N3CCC(CCC(=O)NC4CC4)CC3)c2C(=O)O)ccc1F 1704311780 RUOVBLKWHNMLMP-UHFFFAOYSA-N 431.464 3.463 0 50 IGAA Cc1ccccc1C[C@@H](CO)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 2325740030 FVPXYZDHNZLBRM-RCZVLFRGSA-N 430.548 3.304 0 50 IGAA CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 627878 SWPVUOQZMRVBCY-LJQANCHMSA-N 429.494 3.462 0 50 IGAA COc1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc(OC)c1OC 779561 NQKLRCVMTCXCFC-UHFFFAOYSA-N 434.492 3.464 0 50 IGAA COc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1003751 YDZJOZDPOVYHIG-UHFFFAOYSA-N 447.582 3.433 0 50 IGAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)CCn2cnnn2)CC1 11705670 CVCBHRXPAJRQTD-UHFFFAOYSA-N 438.919 3.261 0 50 IGAA Cc1cc(CNC(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C2CC2)on1 12002266 FSDDZQVIRRLRDJ-UHFFFAOYSA-N 444.451 3.162 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 12160689 WLNIKLNMKWGVOT-CYFREDJKSA-N 427.545 3.117 0 50 IGAA COc1ccc(-c2noc(CN(C)C[C@@H]3COc4ccccc4O3)n2)c(OC)c1OC 14976459 VYYGTRCUNMJFDG-CQSZACIVSA-N 427.457 3.034 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)nc(C)n1 15063768 KUZZYIZIUSDQGX-HSZRJFAPSA-N 449.599 3.070 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(SC)cc1 16711804 HOKUKZUSWOCUAL-WPNIOXTASA-N 440.546 3.113 0 50 IGAA COc1ccccc1CC(=O)NCCn1ccn2nc(-c3ccc(C)cc3C)cc2c1=O 169775696 HYDNPWZMZIHPNU-UHFFFAOYSA-N 430.508 3.147 0 50 IGAA COCCn1ccc2c(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cccc21 170625586 CLLAMKZNQHUUDO-FQEVSTJZSA-N 434.496 3.127 0 50 IGAA O=C(N[C@H](CO)c1ccccc1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 261127331 KLRKVNKANBJQPN-SFHLNBCPSA-N 445.523 3.061 0 50 IGAA CCNC(=O)[C@@H]1C[C@@H](NC2CCN(CCc3ccccc3)CC2)CN1Cc1ccccc1 299774728 IAHWMNZIDVNXIZ-FTJBHMTQSA-N 434.628 3.062 0 50 IGAA CON(C)C(=O)[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1454356947 HVHVYVQXTMYBCE-XHDPSFHLSA-N 448.347 3.426 0 50 IGAA O=C(NC[C@H](O)c1cccc(OC(F)F)c1)Nc1cccn(Cc2ccccc2)c1=O 1875253818 NTXHPEPQEOYPFS-IBGZPJMESA-N 429.423 3.353 0 50 IGAA NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)C[C@H]2Oc3ccccc3NC2=O)c1 1875255539 AVOYOSOWOWCISW-JOCHJYFZSA-N 429.476 3.104 0 50 IGAA CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)Nc2nc3c(s2)Cc2ccccc2-3)C1 1875263124 UURVOUQINFWCMZ-ZFWWWQNUSA-N 442.541 3.026 0 50 IGAA Cc1cccc(-n2nc3c(c2NC(=O)[C@H](C)N2C(=O)NC4(CCCC4)C2=O)CSC3)c1 2325823497 VGGWWQBABXWFIE-AWEZNQCLSA-N 439.541 3.119 0 50 IGAA COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 703382 LQBUHRAWRQNFBN-NEPJUHHUSA-N 426.494 3.283 0 50 IGAA CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1158243 ZBGPXPFXICIVDZ-UHFFFAOYSA-N 434.489 3.042 0 50 IGAA CCOC(=O)NC(=S)Nc1cc2nc(CC)[nH]c2cc1NC(=S)NC(=O)OCC 3914848 IBQHHAQWUHTRPP-UHFFFAOYSA-N 438.535 3.011 0 50 IGAA O=C(CCCCCCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 4618629 PRDBIZFLJYEMHQ-UHFFFAOYSA-N 429.586 3.264 0 50 IGAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1ccccn1 6348500 KMTSTZGMCBYLGB-UHFFFAOYSA-N 427.551 3.185 0 50 IGAA COc1ccccc1Cc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1 9191015 NQXUOASYRYDMGI-UHFFFAOYSA-N 426.498 3.221 0 50 IGAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)n1 13009102 KMLRAYSNMHQRGL-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA CCCCOc1ccc(I)cc1[C@H]1NC(=O)NC(C)=C1C(=O)OC 16382613 LIPCGBMKRAOFIW-OAHLLOKOSA-N 444.269 3.271 0 50 IGAA CN(Cc1ccccc1C(F)(F)F)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 55370412 OPABPWIQZUKOQO-MRXNPFEDSA-N 431.480 3.116 0 50 IGAA COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)cc1 61721587 PIOYPNMDAXGDJS-UHFFFAOYSA-N 436.899 3.413 0 50 IGAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Cc2cccc(N3CCOCC3)c2)C1 170607991 WMXDOFQYYYIDHB-IBGZPJMESA-N 429.948 3.123 0 50 IGAA O=C(NC1CCCCC1)c1c(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCC2 225766669 TULIWUOUFAKZAJ-LTDCPUDJSA-N 428.554 3.356 0 50 IGAA CC(=O)Nc1cccc(C(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)O)c1 236619579 XQUUFZMLNLSZQB-GOSISDBHSA-N 444.285 3.315 0 50 IGAA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239203136 RULHJIWGGRSOFJ-ODMCORKHSA-N 442.515 3.298 0 50 IGAA CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)c2C1 465371983 OEXHJNKTCNJCJJ-KVUUWBKYSA-N 448.567 3.494 0 50 IGAA Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)c2ccc(C)c(C)c2n1 952975585 KSNRSYOAGUGOOE-UHFFFAOYSA-N 431.492 3.373 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 628088 JASFXTRWRDCRNC-FBHQFGEZSA-N 448.544 3.115 0 50 IGAA COc1ccc(OC)c(NC(=S)NC(=O)COc2ccc(Br)cc2)c1 674783 KQKZATXQMSFTOL-UHFFFAOYSA-N 425.304 3.358 0 50 IGAA Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(-n2nc3ccccc3n2)c1 1074959 ONFGWLBGOYLTBU-UHFFFAOYSA-N 436.493 3.198 0 50 IGAA aggregator COCCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 4283965 CYPOJRYKPRZLGD-UHFFFAOYSA-N 438.480 3.285 0 50 IGAA COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21 10156754 CKXYBJSZHHNKDL-UHFFFAOYSA-N 435.867 3.453 0 50 IGAA CCCc1cc(C(=O)N2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)no1 11787966 GFAPXOAAKAHGRN-XMMPIXPASA-N 438.528 3.080 0 50 IGAA CN(CCc1ccccn1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O 11788721 KPZOGIHDUDCXMS-RUZDIDTESA-N 447.560 3.431 0 50 IGAA CC[C@H](O)CNC(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 12150028 INOVHVXIAOPUBP-AWEZNQCLSA-N 430.530 3.130 0 50 IGAA COc1cccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 53175140 CIYAUWZIWKJLKL-UHFFFAOYSA-N 430.512 3.025 0 50 IGAA CC(C)N1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 55224842 QVSSBNFECBKGDS-UHFFFAOYSA-N 442.567 3.472 0 50 IGAA Cc1ccc(F)c(-n2nnnc2CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1 112526686 VRZHYMFZQVFYOE-QHCPKHFHSA-N 430.443 3.230 0 50 IGAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n[nH]c2=O)cc1 169777362 RFYVKUNWPSPLPS-UHFFFAOYSA-N 426.904 3.302 0 50 IGAA COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1F 169778016 IZURZEJTRQZZIJ-MRXNPFEDSA-N 434.431 3.230 0 50 IGAA C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cnc(C3OCCO3)s2)CC1 225638120 GNMQHPHHSLQGPQ-OAHLLOKOSA-N 427.530 3.117 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 226932200 XNQZASOJZYJLNJ-KCXPTXFHSA-N 441.409 3.137 0 50 IGAA COC(=O)c1c(S(=O)(=O)Nc2cc(C)cc(C)c2)sc2c1CCN(C(=O)C1CC1)C2 299765112 WAYCAOQSLVCAQQ-UHFFFAOYSA-N 448.566 3.247 0 50 IGAA CCN1CCN(CCOc2ccc(CN(CCOC)Cc3ccccc3OC)cc2)CC1 824405439 HLOLBWXGGOYVSZ-UHFFFAOYSA-N 441.616 3.360 0 50 IGAA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(C(=O)CCS(C)(=O)=O)CC2 952983212 OOMNZZQRGOJTJD-QHCPKHFHSA-N 431.554 3.393 0 50 IGAA O=C1CO[C@H](Cn2ccnc2-c2cccc(F)c2)CN1CC1CCN(CC2CC2)CC1 1875247623 YNWGPYVMJHMCSA-JOCHJYFZSA-N 426.536 3.039 0 50 IGAA Cn1cnc2cc(C(=O)NCC[C@H]3CN(c4ncnc5n[nH]cc45)c4ccccc43)ccc21 1875287920 GLEXPPWNZXLLKA-INIZCTEOSA-N 438.495 3.295 0 50 IGAA Cc1ccc(C(C)(C)C(=O)N2CCC([S@](C)(=O)=NC(=O)c3cc(C)nn3C)CC2)cc1 2332238641 GGWFARGASSQEAL-HKBQPEDESA-N 444.601 3.244 0 50 IGAA CCOc1cccc(CN2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)c1 11775646 TZFJFLQGRDVXOY-XMMPIXPASA-N 429.605 3.057 0 50 IGAA Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1cccnc1 16552416 VKUFSYXNRDSMHI-UHFFFAOYSA-N 429.473 3.025 0 50 IGAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c2ccccc12 20450864 JUFULKYFHCVVDJ-UHFFFAOYSA-N 445.523 3.064 0 50 IGAA Cc1ncsc1CCC(=O)N1CCc2c(cc(Cc3ccccc3F)c(=O)n2C)C1 20600478 IRSJKIPZOXIUCD-UHFFFAOYSA-N 425.529 3.398 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1 20774629 SIHPPDWGBBQTLS-NRFANRHFSA-N 449.599 3.264 0 50 IGAA O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 115167794 JGGXCPRUVWETGV-UHFFFAOYSA-N 425.750 3.391 0 50 IGAA CCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1 169772983 JJFJCEDCHQKHMT-VIFPVBQESA-N 449.334 3.121 0 50 IGAA COc1ccc(Br)cc1Cc1nnnn1Cc1cc(=O)oc2cc(C)ccc12 170617978 BLQAFWLLTLRZHL-UHFFFAOYSA-N 441.285 3.498 0 50 IGAA Cn1cc([C@@H]2CCCN2c2nc3c(c(N4CCC[C@@H]4c4cnn(C)c4)n2)SCC3)cn1 225819462 PPYVIKJSHKPLFX-MOPGFXCFSA-N 436.589 3.275 0 50 IGAA CC(=O)c1ccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 263615672 DOVFNVRAWJQMMX-HSZRJFAPSA-N 445.523 3.023 0 50 IGAA Cc1ccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)c(C)c1 263617300 NCCDLBNHYXFSRP-JOCHJYFZSA-N 435.503 3.268 0 50 IGAA C=CC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1nn2c(c1C)OCCC2 1875383430 TYTDPUWNNXZPJJ-RTWAWAEBSA-N 436.556 3.130 0 50 IGAA Cc1ccc2c(C(=O)N=[S@]3(=O)CCCN(C(=O)[C@H]4CCCOC4)CC3)csc2c1 2332238943 QXLQWFVGPGAHCO-OFJJUDJNSA-N 434.583 3.477 0 50 IGAA COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc1 799046 PZBAVFRGPOUBRQ-INIZCTEOSA-N 430.526 3.172 0 50 IGAA O=C(NCc1cccs1)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1 1134821 FFQKWOJCNDGUGL-UHFFFAOYSA-N 442.566 3.063 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1 2871431 GQSDWIHJSXEPFT-UHFFFAOYSA-N 430.526 3.246 0 50 IGAA Cc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)c3cccs3)nc2s1 8607013 SNRIBIMLQOAMHT-UHFFFAOYSA-N 426.479 3.130 0 50 IGAA COC[C@H](C)NC(=O)c1c(COc2ccc(C)cc2)n(Cc2ccccn2)c(C)cc1=O 11782929 LTZNWGBQMFMTPK-SFHVURJKSA-N 435.524 3.252 0 50 IGAA COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)C(C)C 12035973 VZVTYQAJTOVHNS-NRFANRHFSA-N 427.574 3.011 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1cnccn1)CCN(C(=O)CCCc1cccs1)C2 14883254 NOVHCQIVSXDDPG-UHFFFAOYSA-N 435.553 3.079 0 50 IGAA Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(C[C@H]5CC=CCC5)CC4)c3C2=O)n1 15007665 IMTBQMOZJIGTQQ-NRFANRHFSA-N 447.583 3.274 0 50 IGAA O=C(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)C1(N2CCOCC2)CCCCC1 19744115 LUIXXYSRMOBWDJ-GOSISDBHSA-N 428.602 3.416 0 50 IGAA COc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c(OC)c1 20166576 YVJLGRGSLPZTKP-UHFFFAOYSA-N 435.524 3.371 0 50 IGAA COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)c1 35993549 OFABUOFVAURICK-VKJFTORMSA-N 428.794 3.453 0 50 IGAA CCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@@H](OCC)C12CCCCC2 230160388 JXKHJAIEPFCSNA-VQTJNVASSA-N 437.606 3.112 0 50 IGAA Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c1=S 242088005 WBAMFZUQMZUSGX-UZLBHIALSA-N 446.642 3.428 0 50 IGAA CN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)[C@H]2C1 245328674 WHHQPCWENOZRQK-GCJKJVERSA-N 442.878 3.265 0 50 IGAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H](O)COC[C@H]1CCCO1)CC2 247937438 HFSJYKGSYCVNDM-YZZKKUAISA-N 433.570 3.269 0 50 IGAA NC(=O)/C(=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1 575441150 JFBAVWVBLRIWHM-MLPAPPSSSA-N 428.296 3.256 0 50 IGAA O=C1N[C@H](CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)C(=O)Nc2ccccc21 888088245 YPTFQMTUNGLPCY-KBXCAEBGSA-N 434.521 3.143 0 50 IGAA Cc1ccc(C)c(C2=NO[C@H](C(=O)NCc3ccc(C(=O)N4C[C@H](C)O[C@H](C)C4)cc3)C2)c1 1356023023 CPFPICKGDVXAJF-GLDPYIMESA-N 449.551 3.362 0 50 IGAA O=C(NC[C@@H](O)CN1CCCC1=O)c1ccc(SC2CCCC2)c(C(F)(F)F)c1 1875259735 RXINFDJMVWNMFX-CQSZACIVSA-N 430.492 3.453 0 50 IGAA C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1875320892 YXIBWVYWHWCMOM-XYPHTWIQSA-N 447.318 3.404 0 50 IGAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2)cc1 890136 LSTHYABUMHFFIH-HSZRJFAPSA-N 436.533 3.127 0 50 IGAA biogenic,in-vitro COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O 1018610 POPSWTQSAKPNAS-WOJGMQOQSA-N 440.477 3.222 0 50 IGAA COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c1 2836572 SCXOJYNMJHNWNF-UHFFFAOYSA-N 428.514 3.451 0 50 IGAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 9260967 SKMNSDGKUODECX-QCUKBLKESA-N 440.477 3.302 0 50 IGAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCC2(N(C)C)CCCCC2)c1 12227901 ITFQFXZPPYEIPL-UHFFFAOYSA-N 431.577 3.079 0 50 IGAA O=C(O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br 14010226 COKCTXHWRGOIAF-OVCLIPMQSA-N 449.232 3.145 0 50 IGAA CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)CC1 17096704 UZWLCAAOMKQRPB-UHFFFAOYSA-N 429.929 3.273 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)CC1 20907135 IGLNXFVTSGGACX-FQEVSTJZSA-N 431.968 3.469 0 50 IGAA CC(=O)c1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 23359818 GRARBKVUTQWUHX-NRFANRHFSA-N 441.597 3.462 0 50 IGAA COc1ccc(-c2noc([C@@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C(C)C)n2)cc1 238901390 LXDOWTBSNUJIGT-IBGZPJMESA-N 445.497 3.192 0 50 IGAA NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccc4cccnc4c2)CCO3)C1 299769381 MTIFDFOYJJQLBS-QFIPXVFZSA-N 430.552 3.327 0 50 IGAA Cc1c(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cccc1N1C(=O)N[C@H](C)C1=O 390832953 DACABRCXJFPUKG-PIGZYNQJSA-N 434.855 3.087 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)COc2ccc(C(N)=O)cc2)cc1 1875262649 HLBNGHBQVORZFN-DEOSSOPVSA-N 432.520 3.489 0 50 IGAA COCCOCCN(Cc1ccccc1)C(=O)C(=O)Nc1cnc2c(F)cccc2c1 1875300199 QVDHLOZPVBSYGT-UHFFFAOYSA-N 425.460 3.004 0 50 IGAA Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1cnc(-c2ccccc2Cl)s1 1875352488 JDYHMCOLCQIYKS-UHFFFAOYSA-N 448.936 3.291 0 50 IGAA Cc1cccc(/C=C2\SC(=O)N(CCC(=O)NCCCOc3ccncc3)C2=O)c1 2325739491 VPDQFPYEJJWZKK-CYVLTUHYSA-N 425.510 3.402 0 50 IGAA CN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H](Cc1ccccc1)C(=O)O 2325851944 NQVDBAASGKQJDN-JOCHJYFZSA-N 442.471 3.251 0 50 IGAA COc1ccc(OC)c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 975984 SNCXUJGELHCJPU-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)c1 1072727 PLPDFBQALBTBGC-UHFFFAOYSA-N 425.510 3.194 0 50 IGAA COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1nc(C2CC2)cs1)C(F)(F)F 2192051 HSGZMXFAHXCVHW-QGZVFWFLSA-N 429.420 3.303 0 50 IGAA Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2nncn2N)cc1 2210140 MNFJMJDTRVJGID-UXHICEINSA-N 437.550 3.320 0 50 IGAA O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCN(C(=O)c2cccs2)CC1 11708306 QITBLTTVYOZKRP-UHFFFAOYSA-N 431.521 3.139 0 50 IGAA CCOC(=O)C[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2cc(OC)ccc2F)CCC(=O)N1 12450972 FJCIJUZLNXIIBC-HOYKHHGWSA-N 448.535 3.140 0 50 IGAA COCCN1CCC[C@@H](CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)C1 12459428 DJDRPFWTCANWEN-FQEVSTJZSA-N 447.620 3.035 0 50 IGAA O=C1CN(Cc2cc3ccccc3o2)C[C@@H](OCc2ccccn2)CN1CC1CCOCC1 14537600 FGHVURZMCRLXST-XMMPIXPASA-N 449.551 3.484 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccccc1Cl)C2 14751916 JSUHMQPRPKDAHE-SFHVURJKSA-N 430.980 3.312 0 50 IGAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 101016655 OMFRNPLQGSTABP-VWNXMTODSA-N 427.508 3.065 0 50 IGAA COc1ccc(OC)c2c1CN(C(=O)c1cnc(SC)n1-c1ccccc1)C[C@H]2O 170621133 LLPPALKAIKFGEU-QGZVFWFLSA-N 425.510 3.301 0 50 IGAA C[C@@H](Cc1ccccc1)n1cccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463122530 FNVVNVJZQUBKMX-XUZZJYLKSA-N 445.563 3.492 0 50 IGAA Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)CC2)c1 771830971 FDAWLDSBEDRTTA-HXUWFJFHSA-N 439.537 3.393 0 50 IGAA COc1ccccc1-n1cc(CN2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)cn1 824835062 CYDNWJCGPLFJRI-UHFFFAOYSA-N 432.450 3.320 0 50 IGAA O=C1COc2ccc(C(=O)NC[C@H](CN3Cc4ccccc4C3=O)c3ccccc3)cc2N1 1775972367 XXNQVCQHNCMUDK-HXUWFJFHSA-N 441.487 3.187 0 50 IGAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCC(C2CCNCC2)CC1 1857679358 IRYRVHGXALCVKC-UHFFFAOYSA-N 430.552 3.302 0 50 IGAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(c2ncnc3ccsc23)CCCN1 1875240231 NEYBJXMKABSUMU-GOSISDBHSA-N 437.569 3.088 0 50 IGAA CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 1134715 PYZYAEKPAVEXJW-UHFFFAOYSA-N 437.521 3.418 0 50 IGAA Cc1cc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1 1142945 GHSAMOXUXYUCAX-UHFFFAOYSA-N 426.498 3.220 0 50 IGAA O=C(NCc1ccco1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 1192818 ROEMTLQTMPDWON-UHFFFAOYSA-N 427.320 3.147 0 50 IGAA C[C@H](NC(=O)[C@@H]1CC(=O)c2sc(NC(=O)Cc3ccccc3)nc2C1)c1nccs1 11965214 GPXCGRPDOAQXEF-JSGCOSHPSA-N 440.550 3.403 0 50 IGAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(C(C)=O)cc2)C3)no1 12030381 VHVUFRZDAKASNC-UHFFFAOYSA-N 446.507 3.272 0 50 IGAA CCOC(=O)CN(C)[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 12149719 VQVQHUXXFQGLJK-GOSISDBHSA-N 439.581 3.443 0 50 IGAA OCCOc1cccc(CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)c1 12281033 NXNMOUBPTJCYBR-NRFANRHFSA-N 442.629 3.415 0 50 IGAA CCn1c(C(=O)OC)c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@H](C)CC(C)(C)OC)cnc21 14740767 MQELNWXABDUIPD-HUUCEWRRSA-N 446.548 3.433 0 50 IGAA COc1ccc(CNCCCOC(C)C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 14970166 NOGZQWDPNOBRQK-QHCPKHFHSA-N 430.589 3.472 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccnn2C)O3)c1 14980958 XLLWZKJJPSOTIN-INIZCTEOSA-N 427.888 3.491 0 50 IGAA COc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC 16265288 OZUZYNVIICYXEJ-YBEGLDIGSA-N 429.885 3.045 0 50 IGAA O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CCc2ccccc2C1 16649162 OMDDAIIDROUOBD-UHFFFAOYSA-N 426.582 3.246 0 50 IGAA COc1ccccc1N1C(=O)C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 18142758 PBLOFXYIUHWTFT-SFHVURJKSA-N 433.430 3.168 0 50 IGAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 65364141 NHUNDZDPCKWTMD-LJQANCHMSA-N 448.527 3.069 0 50 IGAA CC(C)[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc2c(c1)OCCCO2 248179911 YBLYCENOUMUTLX-YOJAFSQSSA-N 443.544 3.162 0 50 IGAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 253395070 AHCYNRZNHREAHQ-XLIONFOSSA-N 435.455 3.198 0 50 IGAA biogenic C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)[C@H]2CCCC[C@H]12 461159492 MCKBJPWFKXOLNY-RCOXNQKVSA-N 434.548 3.115 0 50 IGAA COc1c[nH]c(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cc1=O 1857704573 XVWATHPIHXKRJO-FQEVSTJZSA-N 439.556 3.096 0 50 IGAA CCOC(=O)c1noc(-c2cccc(CN[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)c2)n1 1875262994 FUIJUWPNFQDUCR-LJQANCHMSA-N 438.459 3.162 0 50 IGAA CCCc1nccn1[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3CCC)C2)C1 2325816897 MYACNQUAMAMJSN-WOJBJXKFSA-N 440.592 3.012 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 1197245 PFVGTGGBWYOTON-PZHBDVNGSA-N 448.544 3.115 0 50 IGAA CC(=O)N1c2ccccc2[C@H](N(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc2)C[C@H]1C 8992423 MUSCRCXPABTKBL-HOYKHHGWSA-N 448.567 3.103 0 50 IGAA COc1cccc(CCNc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)c(C)c23)c1 12049216 OJNHZSZQHYFCHW-QGZVFWFLSA-N 439.585 3.439 0 50 IGAA Cn1cc(CN[C@H](CCn2cncn2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 12592314 FCIUMJWSBOMNGU-OAQYLSRUSA-N 430.512 3.371 0 50 IGAA COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@@H](C)CC(C)(C)O)cc12 14537330 VTCMFZIFVUZFNV-HNNXBMFYSA-N 448.564 3.415 0 50 IGAA O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCOCC2)cc1 16475124 CIVZCRXXGHUURU-UHFFFAOYSA-N 430.508 3.096 0 50 IGAA CCN1CCN(CC(=O)N(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)CC1 22851592 OKZVOLOOZFOGIE-DEOSSOPVSA-N 441.664 3.092 0 50 IGAA Cc1cccc(SC2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccoc3)CC2)c1 55211443 WNCCGIXQXKOLDR-OAQYLSRUSA-N 427.570 3.062 0 50 IGAA COc1ccc(Nc2nc(N(C)Cc3cnccn3)cc(N(C)Cc3cnccn3)n2)cc1 225651457 BFWMXFZUGDDIFV-UHFFFAOYSA-N 443.515 3.082 0 50 IGAA CCn1cc(NC(=O)C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cn1 253432649 MEENKPJJPREXJK-UHFFFAOYSA-N 437.685 3.286 0 50 IGAA COc1ccccc1N1CC[C@@H](NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1=O 465267302 SRFZLALSNANMAJ-MRXNPFEDSA-N 444.413 3.435 0 50 IGAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 827926914 MAUDIGDIUPFLBZ-LJQANCHMSA-N 428.554 3.037 0 50 IGAA O=C(NC[C@@H]1CCCC2(CCC2)O1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301656 OMMYRYSETUVFPU-DLBZAZTESA-N 441.450 3.482 0 50 IGAA CN1CCN(c2ncc(C(=O)N[C@@H](c3ccccc3)c3nc4ccccc4n3C)s2)CC1 2325737065 BPJPWGDQVDIMJR-NRFANRHFSA-N 446.580 3.301 0 50 IGAA COc1ccc(S(=O)(=O)N(C)C)cc1CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325741670 HESNRGDGPFNDRD-RZDIXWSQSA-N 436.961 3.204 0 50 IGAA Cc1ccc(-n2nc(C(=O)N[C@H]3CC[C@@H](NC(=O)C4(CC(C)C)COC4)C3)cc2C)cc1 2325829047 ZCDWSWFDEQKQKM-VQTJNVASSA-N 438.572 3.319 0 50 IGAA O=C(N=[S@@]1(=O)CCCN(C(=O)c2cccc(F)c2OC(F)(F)F)CC1)c1ccoc1 2332238897 PCNFLPDRJTXJBS-SSEXGKCCSA-N 448.394 3.472 0 50 IGAA COc1cccc2c1C1(CCN(C(=O)CCn3nc(C)c(C(C)=O)c3C)CC1)OCC2 2356133838 GVHCCBYGADZJJF-UHFFFAOYSA-N 425.529 3.192 0 50 IGAA CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1OC 1113191 NHWFPTNSMQJXGX-WQLSENKSSA-N 446.310 3.118 0 50 IGAA CC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1127371 UZUIGDSTHJYAKF-LBPRGKRZSA-N 447.376 3.327 0 50 IGAA COC(=O)c1sc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)nc1C 9331654 AICLAKHFBQNUJT-UHFFFAOYSA-N 444.332 3.136 0 50 IGAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@@H]2C[C@@H](C)NC(=S)N2)CC1 11710579 WZHOEBUFBUBVBR-QUCCMNQESA-N 445.629 3.196 0 50 IGAA CC1=C(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)OCCO1 11813488 XVHRXPZUBROSAS-XMMPIXPASA-N 440.584 3.152 0 50 IGAA CC[C@H](C)C(=O)C(=O)NCc1nc(-c2cccc(NC(=O)C3CCOCC3)c2)oc1C 12053888 ZQVPGFSGDSGJEE-AWEZNQCLSA-N 427.501 3.247 0 50 IGAA COC(=O)N1CCCc2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21 12417673 RKGLJSHNFQWUDD-UHFFFAOYSA-N 448.585 3.469 0 50 IGAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(CC=C(C)C)CC2 14741097 ZVKFKBDCUDPSPT-UHFFFAOYSA-N 429.561 3.297 0 50 IGAA COC(=O)c1cc(CNC(=O)[C@H]2CCCCN2C)cc(NC(=O)c2ccccc2Cl)c1 14999983 KLLDJTZSRKTGOC-HXUWFJFHSA-N 443.931 3.479 0 50 IGAA C[C@H]1CN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C[C@@H](C)O1 15077342 FVWRYJUSWOFDBS-BGYRXZFFSA-N 439.604 3.034 0 50 IGAA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2OCC(=O)N2CCOCC2)c1 16488724 SINBXKQDIMQHKB-UHFFFAOYSA-N 440.540 3.165 0 50 IGAA COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c(OC)c1 170610706 DEOOJGAFIPNGFE-UHFFFAOYSA-N 432.904 3.157 0 50 IGAA Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2COc3ccc(Br)cc32)c(F)c1 225393619 YTHYVGHAAGFQID-CQSZACIVSA-N 428.279 3.019 0 50 IGAA Fc1ccc(Cc2nnc(N3CCO[C@H](c4nccs4)C3)n2C[C@H]2CCOC2)cc1 240934399 JBVHICYWFFJODQ-AEFFLSMTSA-N 429.521 3.079 0 50 IGAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nnc(CC(C)C)s1)C=C2 253408576 KWLJSVNNCTUMLX-UHFFFAOYSA-N 430.530 3.138 0 50 IGAA biogenic COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N1CCC[C@H](C(=O)Cc3ccccc3)C1)C2 299786237 WISGZXJLNVARAD-FPOVZHCZSA-N 436.552 3.329 0 50 IGAA COCCCn1cnnc1CNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 670473673 LONXBISEWYKNAJ-UHFFFAOYSA-N 425.436 3.387 0 50 IGAA Cc1ccc2cc(CN3CCCN(C(=O)c4ccco4)CC3)c(N3CCOCC3)nc2c1 952860622 QMCPWFYYPRTNQJ-UHFFFAOYSA-N 434.540 3.321 0 50 IGAA CN1CCN(Cc2ccc(N3CCC4(CC3)OCCc3c4[nH]c4ccccc34)nc2)CC1 1704311921 FBWPUERNCVRFQE-UHFFFAOYSA-N 431.584 3.379 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2ccccc2F)C1 1857685337 IKXYUEOOSLDTPM-OTNCWRBYSA-N 431.596 3.087 0 50 IGAA NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c2ccccc21 1875328491 VFGQTMRZHIWBFT-ROQCDXFCSA-N 431.536 3.466 0 50 IGAA O=C(N=c1[nH]nc(Cc2ccsc2)s1)NCCc1nc(-c2ccccn2)cs1 1875352892 FFHCIIRTZMDQHM-UHFFFAOYSA-N 428.568 3.495 0 50 IGAA NC(=O)Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 2325735756 FQBUYJQHGJMOAS-QFIPXVFZSA-N 449.938 3.025 0 50 IGAA O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 879986 MSQAHSAMEJMKLE-OAHLLOKOSA-N 443.352 3.484 0 50 IGAA COc1ccc(Cl)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 889729 QYMFGMCPHBOPSE-UHFFFAOYSA-N 445.928 3.255 0 50 IGAA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 944969 GSIRMIQJOPQPJL-UHFFFAOYSA-N 441.347 3.412 0 50 IGAA CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Br)cc1 2881447 WXTJSZBSYJULPF-UHFFFAOYSA-N 440.344 3.318 0 50 IGAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)c(Cl)c1 12003135 IWEROPGYYZZXPD-UHFFFAOYSA-N 443.931 3.329 0 50 IGAA O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2cccn2-c2ncccn2)CC1 12030642 NVGZHZONWHVQPD-UHFFFAOYSA-N 427.512 3.304 0 50 IGAA CC(C)n1cc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cn1 14952200 QNAGCQAWNWMBDI-SFHVURJKSA-N 427.574 3.203 0 50 IGAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C(C)C 14958708 BSLZGTMLFJSMJN-HSZRJFAPSA-N 439.556 3.053 0 50 IGAA CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(F)cc1F 238899389 GDCPOSNVMOWPQH-SFHVURJKSA-N 429.423 3.424 0 50 IGAA Cc1cccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)c1 1452607 TXERAAAMMMMLNF-OAHLLOKOSA-N 436.748 3.181 0 50 IGAA COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1Cn1nc(C)c(Br)c1C 9971431 KMIJZKKRDNQFTK-CZUORRHYSA-N 426.336 3.108 0 50 IGAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)N1 12036054 JZLZPVUXQKPQIT-AREMUKBSSA-N 447.535 3.099 0 50 IGAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N1CCCOc3c(cccc3OC)C1)C2 12165816 KJICEAUIHYIRJZ-QGZVFWFLSA-N 426.513 3.098 0 50 IGAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1 12719060 SBNXLNHYEGBJHH-OAQYLSRUSA-N 445.502 3.490 0 50 IGAA CC[C@]1(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)NC(=O)N(Cc2ccccn2)C1=O 20203838 UBLVMRAPEJZIGW-RUZDIDTESA-N 445.523 3.316 0 50 IGAA O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 20450613 YPVZTSXLXINHNA-OAQYLSRUSA-N 437.406 3.438 0 50 IGAA O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc2ccccc12 100626950 RVIFBTRDKRLZQF-QFIPXVFZSA-N 443.503 3.018 0 50 IGAA Cn1cc([C@@H]2CCCN2c2nc(N3CCC[C@@H]3c3cnn(C)c3)nc3c2SCC3)cn1 241644335 PPYVIKJSHKPLFX-RBUKOAKNSA-N 436.589 3.275 0 50 IGAA CCn1nc(C)cc1C(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857688921 LVJVKCDNUIFWSZ-OAQYLSRUSA-N 438.572 3.450 0 50 IGAA Cc1ccc(N=c2nc(O)c3cnn(-c4ccccc4)c3[nH]2)cc1N1CC[C@H](N(C)C)C1 2325736873 UFHNLOSUWYMHAL-IBGZPJMESA-N 429.528 3.135 0 50 IGAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(I)c2)c1 1078987 IHNGJYJYYBULNF-UHFFFAOYSA-N 449.266 3.118 0 50 IGAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)ccc1O 8738828 LWOVCRSZSIPSCB-HXUWFJFHSA-N 427.457 3.075 0 50 IGAA C[C@H](CNC(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12)Oc1cccnc1 11913557 WEIRLZZRKXSJNM-QGZVFWFLSA-N 443.507 3.325 0 50 IGAA COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)c4cccnc4)C3)n2)c(OC)c1OC 12073813 MWLWQOWEEBIIQK-MRXNPFEDSA-N 438.484 3.252 0 50 IGAA CCN(CC)C[C@H](O)COc1cc(CN(C)Cc2c(C)nc3ccccn23)ccc1OC 12306103 ILPZJEAQQOSOIM-NRFANRHFSA-N 440.588 3.365 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(Cl)cc1 13774024 IEVZQYZEFKKXMF-GTENMVSRSA-N 442.899 3.201 0 50 IGAA CCOC(=O)c1c(NC(=O)c2cc(C(=O)N(CC)CC)nn2C)sc2c1CCCC2 13961522 SHCIKUFUXXJNIZ-UHFFFAOYSA-N 432.546 3.271 0 50 IGAA Cc1c(C(=O)NCc2ccon2)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 14986969 PENOIOXNIPDGRP-CQSZACIVSA-N 437.481 3.170 0 50 IGAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cnc(N(C)C)s3)CC2)c1 19336039 HHYFKAKTELEBNB-UHFFFAOYSA-N 444.601 3.497 0 50 IGAA Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)c1 230098872 JMSSBGGAUVLRLI-YDLHNXBPSA-N 435.911 3.388 0 50 IGAA CC[C@H](C)[C@H](NC(=O)c1csc(CN)n1)C(=O)N1CCC(Cc2ccccc2)CC1 236985918 ADQCFTFXOXSXEC-KKSFZXQISA-N 428.602 3.228 0 50 IGAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 409413230 FZNAWLRQUUNJGH-YTFSRNRJSA-N 443.636 3.049 0 50 IGAA biogenic COCCNc1nc2cc(C(=O)N[C@@H]3CCCN(Cc4cccs4)C3)ccc2n1C 670472876 SIYVUVDRPRBENH-QGZVFWFLSA-N 427.574 3.088 0 50 IGAA COc1ccc(C(=O)N2CCC[C@]3(CCC(=O)NC3)C2)cc1Oc1cc(F)cc(CN)c1 1857675634 BPNKLRGNZYFVRV-XMMPIXPASA-N 441.503 3.218 0 50 IGAA COC(=O)[C@@H](CNC(=O)C[S@@](=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1C 1875383253 MHQLAYMQXHDTRQ-WQIZZMQYSA-N 425.909 3.043 0 50 IGAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 676837 MPNJLXAEHWWCDG-QGZVFWFLSA-N 432.542 3.239 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(C)cc1 1197450 RJKSSPSAYHXNGN-PZHBDVNGSA-N 448.544 3.115 0 50 IGAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3C)o2)C1 4104160 YKTXRAXTPNVEFO-KRWDZBQOSA-N 433.526 3.118 0 50 IGAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 9331529 AMVMMLTUOQYLCM-UHFFFAOYSA-N 426.885 3.407 0 50 IGAA Cc1ccc(NC(=O)CCc2nnc(SCC(=O)N3CCCCC3)n2C)cc1Cl 11411900 BGQHRMRLWMNBMU-UHFFFAOYSA-N 435.981 3.453 0 50 IGAA COC[C@@H](C)NC(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 12000030 ROAHNRRDQVCYPX-GFCCVEGCSA-N 430.530 3.394 0 50 IGAA O=C1c2cccc(N3CCN(CCCc4ccccc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 12727969 RAYUZAMPKHNJLD-NRFANRHFSA-N 433.552 3.216 0 50 IGAA O=C1CN(C2Cc3ccccc3C2)C[C@H](OCc2cccnc2)CN1Cc1ccccc1 14733347 ZOFRSFXWIHTNSD-SANMLTNESA-N 427.548 3.479 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2cccs2)(c2ccccc2Cl)C1=O 14889428 YVLMNUKAPYQXDU-QFIPXVFZSA-N 448.972 3.483 0 50 IGAA COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)C2(c3ccc(Cl)cc3)CC2)c1 14983909 DWIMUDMAQJZVKU-LPHOPBHVSA-N 426.900 3.405 0 50 IGAA COc1ccc(Br)cc1CN1CCN(C(=O)COc2cccc(C)c2)CC1 19789320 JYHSLDCVFOQFQX-UHFFFAOYSA-N 433.346 3.489 0 50 IGAA CSc1nc2nc(C)c(CC(=O)NCCN3CCC4(CCCCC4)CC3)c(C)n2n1 225686528 ONQMRWURKGEPMT-UHFFFAOYSA-N 430.622 3.168 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCCN12 249691143 LCYCYKCRGGTNNL-XHOYROJHSA-N 435.911 3.186 0 50 IGAA O=C(c1cc(-c2cccnc2)nc2ccccc12)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856602068 UIRDFSJREWMGPU-VQTJNVASSA-N 437.503 3.287 0 50 IGAA C[C@H](NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(F)c1 1323226480 TVNDILDDDDPUPL-SWLSCSKDSA-N 435.883 3.164 0 50 IGAA CC(=O)c1c(C)nn(CCC(=O)N2CCCN(c3nc4ccccc4s3)CC2)c1C 1506426318 GBIUJNXXFANBTI-UHFFFAOYSA-N 425.558 3.441 0 50 IGAA C[C@@H]1CCC[C@](O)(CNC(=O)C23CCC(C(=O)NC[C@@]4(O)CCC[C@@H](C)C4)(CC2)CC3)C1 2325750129 TWPAMROBBRKDBD-JJXQOIHOSA-N 448.648 3.442 0 50 IGAA COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 857970 CRVCYCGSCWCZOE-UHFFFAOYSA-N 432.542 3.220 0 50 IGAA COc1ccc(N([C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 880230 BRCKJZIBJUIUDY-LBPRGKRZSA-N 431.341 3.473 0 50 IGAA Cc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 1059355 IKRFCYLAYJCYIU-UHFFFAOYSA-N 430.267 3.223 0 50 IGAA Cc1cc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)ccc1Br 2880801 ZWOZXGWEGOUDDH-UHFFFAOYSA-N 437.425 3.171 0 50 IGAA Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 2998007 MZBVZCDIUGAIGE-UHFFFAOYSA-N 441.505 3.254 0 50 IGAA O=C(O)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 9762570 UXQSXRUDQUZIRE-UHFFFAOYSA-N 426.235 3.116 0 50 IGAA CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 12202426 DCQRWPGTKYFEBG-SSOJOUAXSA-N 442.531 3.373 0 50 IGAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 16648931 SPMOSTVEPGGRNI-MRXNPFEDSA-N 430.526 3.031 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc4ccccc4o2)CC3)cc1 23128474 OZDRVYGXDOIFCL-UHFFFAOYSA-N 445.523 3.064 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)C1 170605700 KFPIZXGAXGSXDU-PMAPCBKXSA-N 445.585 3.093 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]1[C@H]1CCCN12 249697541 UXADPAGYIDYXOP-QILISPFLSA-N 429.520 3.149 0 50 IGAA COc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1OC 254343405 OZUZYNVIICYXEJ-UHFFFAOYSA-N 429.885 3.045 0 50 IGAA CCC(=O)N1CCC(NC(=O)c2c(N3CCCC3)noc2-c2ccc(OC)cc2)CC1 1704308809 LARAPTIIVPAIHC-UHFFFAOYSA-N 426.517 3.081 0 50 IGAA NS(=O)(=O)c1ccc(C/N=c2/scc(-c3cccc(F)c3)n2[C@@H]2CCCOC2)cc1 1875256206 KBRANYXVBIMOMM-JQBIEYAESA-N 447.557 3.456 0 50 IGAA CCOC(=O)NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2OC)ccc1Cl 638499 VRGIXBTZIUELRT-GFCCVEGCSA-N 440.905 3.274 0 50 IGAA CCNC(=S)N(Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 1211643 IUPXMNMXOSWGEE-SFHVURJKSA-N 431.945 3.377 0 50 IGAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Br)cc1 2502877 FGAKUBOQCJBHEU-MRXNPFEDSA-N 439.331 3.289 0 50 IGAA CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1nc2ccc(C(=O)OC)cc2s1 2971533 WLHOXKXZUNGAIU-UHFFFAOYSA-N 441.465 3.227 0 50 IGAA O=C(O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc(C(=O)O)c1 10060508 PSKBFWNAFNOXDY-UHFFFAOYSA-N 436.420 3.264 0 50 IGAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2cc(C(C)C)nn2C)CC1=O 14535573 AWTJFUAFGYJECR-LJQANCHMSA-N 444.551 3.208 0 50 IGAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nn2)n1 49343626 FZHSIFRHOWTMAI-UHFFFAOYSA-N 427.512 3.296 0 50 IGAA CN(Cc1ccc(F)cc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55090889 CIXIYJOXSHFATH-IBGZPJMESA-N 437.437 3.194 0 50 IGAA C[C@H](c1nccs1)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55198309 LQSKTYWOEBWWGM-OAHLLOKOSA-N 429.521 3.426 0 50 IGAA COc1cc(OC)c2cc(C(=O)Nc3cccc(OCCN4CCOCC4)c3)n(C)c2c1 409414267 JYADVIFCKPVEJZ-UHFFFAOYSA-N 439.512 3.159 0 50 IGAA O=C1CCc2cc(C(=O)CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)c(F)cc2N1 767817004 CKPSTDDOINMNST-XMMPIXPASA-N 435.455 3.067 0 50 IGAA C[C@H](OC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)c1nnnn1-c1ccccc1 777231372 JHMDDHCIKANFNS-AOMKIAJQSA-N 439.447 3.017 0 50 IGAA Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)o2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F 793880856 HJYROKSGTGNLDH-ZDUSSCGKSA-N 445.472 3.118 0 50 IGAA O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 888089468 FOUSEWRTHYGKKZ-HXUWFJFHSA-N 438.915 3.381 0 50 IGAA O=C(NCc1cccnc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1875253270 XUPLQVXFYOXVPG-UHFFFAOYSA-N 429.455 3.006 0 50 IGAA O=C(CCNC(=O)NCc1nc(-c2cccs2)n[nH]1)Nc1ccc(Br)cc1 1875256949 KRBQUYWNPIVNPZ-UHFFFAOYSA-N 449.334 3.124 0 50 IGAA COc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)c(OC)c1 2533586 GGZAAJKEIHWVRH-CXUHLZMHSA-N 444.310 3.145 0 50 IGAA O=C(NCCCCCNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1C[C@@H]2CCC[C@H](C1)C2=O 2871729 WZGRZHCAACDLRL-BPUPTYSTSA-N 430.589 3.180 0 50 IGAA COc1cccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1OCC(=O)O 2978136 JAGYBJSNTPCKJL-SFHVURJKSA-N 426.454 3.236 0 50 IGAA O=C(CC[C@H]1CCCN(C(=O)CN2CCCC2=O)C1)Nc1ccc(C(F)(F)F)cc1 12302635 ZVSNPTYVRSLQJO-OAHLLOKOSA-N 425.451 3.285 0 50 IGAA Cc1nn(C)cc1CN(C)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cnccn2)CC1 14990986 HNLIYVXTMWOIRF-XMMPIXPASA-N 432.572 3.114 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 100552473 FZAQNMOLWKREQE-QDGJQWLKSA-N 431.444 3.046 0 50 IGAA O=C1C[C@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 169299939 NNAVSLKTBXXOQJ-SBJAYZTMSA-N 435.499 3.209 0 50 IGAA CC(C)n1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2ccccc2c1=O 225461543 AAGNYGIHPKZWRN-YJBOKZPZSA-N 428.533 3.353 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c(OC)c1 238937259 UTHAINCDNFRKQU-KMDXXIMOSA-N 449.551 3.452 0 50 IGAA O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)c1ccccc1 239339133 LSZSGCWNNKJEJT-PWCQDKJGSA-N 427.456 3.284 0 50 IGAA CC[C@H]1CN(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)Cc2ccc(Cl)cc2O1 299762021 UPBWPTNTSGSYMY-IBGZPJMESA-N 445.947 3.281 0 50 IGAA C[C@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 433472458 WFFUPDWGDIWIOS-STQMWFEESA-N 434.331 3.412 0 50 IGAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCC(C)(C)N5[O] 1772491705 XFSSIDMMBOJNER-IDEUCDRPSA-N 434.597 3.473 0 50 IGAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)n1nc(-c2ccc(C)cc2)cc1N 1775964798 DJROTMVAVZMVBG-UHFFFAOYSA-N 438.465 3.119 0 50 IGAA COc1ccc(-c2nc(C(=O)NS(=O)(=O)c3ccc4c(c3)CCCO4)c(C)o2)cc1 1875256402 QXXZNKBWZLGLOF-UHFFFAOYSA-N 428.466 3.102 0 50 IGAA Cn1c(NCc2ccccc2Cl)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 1110051 AGYGFILXFRHPNE-UHFFFAOYSA-N 444.322 3.401 0 50 IGAA biogenic CC(C)(C)OC(=O)NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C1=O 2093516 RDKPPWARURBAHD-UGKGYDQZSA-N 446.507 3.293 0 50 IGAA biogenic Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc12 2800163 DLXNDEYLHUZBEY-HNNXBMFYSA-N 444.484 3.280 0 50 IGAA NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 4271987 CCEARLNRGNUNSC-UHFFFAOYSA-N 436.556 3.223 0 50 IGAA COc1ccc(CN2CCC([C@@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)cc1 11965323 NTSAFZOVOIVZBR-RUZDIDTESA-N 437.540 3.079 0 50 IGAA CC(C)Cn1cc(C(=O)NCc2cc(C3CC3)[nH]n2)c(=O)c(C(=O)N2CCCCCC2)c1 12151519 ZWSFQRQJFHGNLQ-UHFFFAOYSA-N 439.560 3.051 0 50 IGAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)C1 19644958 PTRBKSQNEGXMPQ-DLBZAZTESA-N 446.569 3.485 0 50 IGAA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1 22780030 ZITMZPGZZPLVEV-QFIPXVFZSA-N 436.462 3.395 0 50 IGAA COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)C2=O)c1 225497853 LDSDGAWHUCYGMI-XFQAVAEZSA-N 447.413 3.316 0 50 IGAA O=C(NS(=O)(=O)c1ccccc1Cl)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225527887 NERVTRZHTXHAHE-GJZGRUSLSA-N 446.878 3.455 0 50 IGAA C[C@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1)n1ccc2ccccc2c1=O 242106252 WIEQROPCKKWFQE-CQSZACIVSA-N 442.313 3.470 0 50 IGAA Cn1cc(S(=O)(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cn1 242106272 WIHWCGJGLVEUQA-UHFFFAOYSA-N 446.960 3.163 0 50 IGAA COc1ccc(F)c2[nH]c(C(=O)N3CCNC(=O)[C@H]3c3cccc(Br)c3)cc12 476530200 FHOHDQCMKWJNHU-GOSISDBHSA-N 446.276 3.391 0 50 IGAA Cc1onc(-c2ccc(F)cc2)c1C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 807705101 BJPZWRGZYUVEQS-SJLPKXTDSA-N 435.455 3.438 0 50 IGAA O=C(Cn1cccn1)NC[C@H](NC(=O)c1cncc2[nH]ccc12)c1ccc2ccccc2c1 1875360752 KXMBJKCBNFSDHD-QFIPXVFZSA-N 438.491 3.200 0 50 IGAA CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1Cl)NC(=O)C2 2325740514 HZYYHTROBSYXLB-ZDUSSCGKSA-N 442.821 3.365 0 50 IGAA O=C(NC[C@H]1CCCN1C(=O)[C@@H](O)c1cc(F)cc(F)c1)c1cc(Cl)c(Cl)[nH]1 2325849837 BWPVFBADQMYZEA-DOMZBBRYSA-N 432.254 3.054 0 50 IGAA Cc1cc(I)ccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 727733 FQZBCUDVWBCVGL-LLVKDONJSA-N 434.233 3.223 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1Br 816912 GCXUQKZEMIAMKI-UHFFFAOYSA-N 441.347 3.050 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cccc(C(F)(F)F)c1 2989701 BBFQWABIELRGHJ-UHFFFAOYSA-N 436.477 3.114 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CC2=CSC3=NCCN23)C1 11843918 NPMDHNZDERDXGG-QFIPXVFZSA-N 449.523 3.329 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2c2nc(C)c3cc(F)ccc3n2)o1 12245323 CAVPNNJQKYCWCR-SFHVURJKSA-N 426.448 3.132 0 50 IGAA CC[C@@]1(C2CCN(Cc3ccc4c(c3)CCO4)CC2)NC(=O)N(Cc2ccccn2)C1=O 14882349 VWCGSGRMUXZCSS-VWLOTQADSA-N 434.540 3.129 0 50 IGAA CCOc1ccccc1NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC2 16193211 FMZJWZXUQZKROM-UHFFFAOYSA-N 429.542 3.159 0 50 IGAA O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 25577917 HFDZPMWEYOOGJM-FCHUYYIVSA-N 435.501 3.356 0 50 IGAA COCC(=O)Nc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)c2c(c1)ncn2CCc1ccccc1 102025204 CHUABPXJQFKJBC-ICSRJNTNSA-N 432.524 3.488 0 50 IGAA Cn1cc([C@H]2CCCN2c2nc3c(c(N4CCC[C@@H]4c4cnn(C)c4)n2)SCC3)cn1 225819481 PPYVIKJSHKPLFX-RTBURBONSA-N 436.589 3.275 0 50 IGAA COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c2)cc1 239309906 HXPJLVBBCSIKNM-PCPGVINSSA-N 443.455 3.250 0 50 IGAA CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCC(=O)Nc1ccc(F)cc1 241261995 LAJRGPXTFWDCST-UHFFFAOYSA-N 427.885 3.421 0 50 IGAA COc1ccc(N2C(=O)[C@@H](CCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)N=C2O)cc1 252489501 JSAWTAQKLBAXEH-CTNGQTDRSA-N 449.511 3.494 0 50 IGAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(C/C=C/c1ccccc1OC)CCO2 299763868 GAFLJZUEFVCOMY-DRGXBFSJSA-N 435.568 3.313 0 50 IGAA O=C(c1ccccc1C(F)(F)F)N1CCC(NC2=NS(=O)(=O)c3ccccc32)CC1 302391585 JNACBXRKOIRDKM-UHFFFAOYSA-N 437.443 3.049 0 50 IGAA COc1ccc(CCNC(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1OC 409413512 IMSCHFGJNOHENV-INIZCTEOSA-N 429.546 3.083 0 50 IGAA O=C(O)CN(CCc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 427745378 WZHUUCCHSHSKGT-UHFFFAOYSA-N 438.505 3.257 0 50 IGAA O=C(NCc1ccc(-c2ccccc2)cc1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857681599 ASHFASKNZOEGNB-CMTIAEDTSA-N 433.596 3.450 0 50 IGAA O=C(NC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cn(CCO)nc1C1CCOCC1 1875268231 SEWHIQWUWIQXCI-UHFFFAOYSA-N 441.425 3.346 0 50 IGAA O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC(N=c2cc[nH]cc2Cl)CC1 1875331997 JBVYYDGGZMSOPY-HXUWFJFHSA-N 427.980 3.407 0 50 IGAA Cn1ncc(Cl)c1CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1snc2ccccc12 2325823870 GPDBTOPVARMBCG-CJNGLKHVSA-N 445.976 3.331 0 50 IGAA COc1cc(CCc2cc(=NC(=O)c3ccc4c(c3)nc(O)n4C3CC3)[nH][nH]2)cc(OC)c1 2325826655 IOXPDHYTZUITDP-UHFFFAOYSA-N 447.495 3.277 0 50 IGAA Cc1ccc(S(=O)(=O)N(CCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 629644 QQHIBOVTVFQFMV-LJQANCHMSA-N 438.549 3.147 0 50 IGAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)no1 1088034 DYLSOTXNLLGAIP-UHFFFAOYSA-N 426.248 3.392 0 50 IGAA O=C(O)c1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(C(=O)O)c1 1199541 DFDHXUVLPOXWKA-UHFFFAOYSA-N 430.372 3.136 0 50 IGAA CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 8846609 WDCWEQXMZCEUPU-UHFFFAOYSA-N 437.363 3.137 0 50 IGAA CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11703861 WIOCYEONRUITRP-NRFANRHFSA-N 433.600 3.449 0 50 IGAA COC(=O)[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2O[C@H](c2ccccc2OC)C1 11881947 HUTSFSBINUYSEU-REWPJTCUSA-N 438.524 3.185 0 50 IGAA CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)C1 12034478 KXIKWMOYXNSYBL-INIZCTEOSA-N 439.541 3.423 0 50 IGAA CCC(=O)N1CCc2c(sc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2C(=O)OC)C1 12328903 YHBNASJZWNRHTM-UHFFFAOYSA-N 436.555 3.247 0 50 IGAA CC(C)[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)O 12382008 WKEBIYDSARTDSE-AAGJOFLKSA-N 435.274 3.038 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccccc1Cl)C2 14751917 JSUHMQPRPKDAHE-GOSISDBHSA-N 430.980 3.312 0 50 IGAA Cc1ncoc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14879973 BRSIBNOPJUYNGC-PABBZOGXSA-N 448.567 3.083 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)cc4)ccn3n2)cc1 169775899 RFMPJRCQUATRLU-UHFFFAOYSA-N 432.480 3.000 0 50 IGAA COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1OC 169775944 GCFFSZNRTULIBP-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA CCCCCC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CCOC)CC1 252507541 WOENPNLARYURCC-UHFFFAOYSA-N 427.593 3.489 0 50 IGAA Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C 253418062 WTJPDAHXGPIMSK-BEFAXECRSA-N 448.543 3.104 0 50 IGAA Cc1nnc(SCC(=O)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)o1 952980419 HBTLNGKAOOMUKE-UHFFFAOYSA-N 437.447 3.386 0 50 IGAA O=CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(CO)(c2ccccc2)CC1 1875257731 DBWDAOMPVNZRLT-HXUWFJFHSA-N 435.351 3.203 0 50 IGAA CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(CCc2ccc(F)cc2)C1=S 1073506 DFAOJYNQKANGRY-LJQANCHMSA-N 429.517 3.223 0 50 IGAA Cc1ccc(-c2nc3s/c(=C\c4ccc(I)cc4)c(=O)n3n2)cc1 2829066 UVJNQSCQXAYKHE-GDNBJRDFSA-N 445.285 3.279 0 50 IGAA O=C(CCC1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1)NCc1cccnc1 11821763 BLEMNNKPMAOUCQ-UHFFFAOYSA-N 431.540 3.275 0 50 IGAA CO[C@H](C(=O)N1CCN(c2cccc3c2C(=O)N(C2CCCC2)C3=O)CC1)c1ccccc1 11880746 XCQBCZSECCXHQM-QHCPKHFHSA-N 447.535 3.262 0 50 IGAA Cc1ncc2c(c1CNC(=O)CN1CCCCC1)CCN(C(=O)C1(c3ccccc3)CC1)C2 12054427 JKSVVEZFVQXFEC-UHFFFAOYSA-N 446.595 3.109 0 50 IGAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCN(c3ccc(F)cc3)CC1)C2 14535686 HTZKKSNKHBUZOI-OAQYLSRUSA-N 439.579 3.348 0 50 IGAA O=C(c1cncs1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 14985301 MFZIFOPVWCWSPF-UHFFFAOYSA-N 438.553 3.092 0 50 IGAA COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(Cc2ccccc2C)CC1 19113653 JVJDKZNLZPUTID-UHFFFAOYSA-N 425.573 3.338 0 50 IGAA CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 19841916 DNMXICDXTMKNSV-FQEVSTJZSA-N 429.471 3.335 0 50 IGAA COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@@H](O)CN1CCCCCCC1 20454734 FXBWUZKBAWCAAQ-QHCPKHFHSA-N 433.637 3.227 0 50 IGAA CCOc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(OC)cc3)CC2)cc1 169749782 YNRWUEVCMXMITJ-UHFFFAOYSA-N 436.512 3.047 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cc(C)ccc2C)C2=C1C(=O)OC2 169758153 CKJBQGWPMKQLLF-QFIPXVFZSA-N 435.480 3.218 0 50 IGAA COc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239305911 GEJAJLKIQWMXGS-CLZKWMEGSA-N 442.515 3.298 0 50 IGAA O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 247737006 LOKZOBQZSBEFGP-LUKWVAJMSA-N 436.471 3.204 0 50 IGAA CCCOc1ccc2ccccc2c1CN(C)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 248038110 JVDRQXQXVPXVQL-ICSRJNTNSA-N 446.613 3.485 0 50 IGAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N[C@H](c3ccccc3)c3nccn3C)C2=O)cc1 409414853 PTIAWSZOHKROTB-IFMALSPDSA-N 445.523 3.264 0 50 IGAA Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)c1 484301297 GYYRQVWMKOXDIP-NRFANRHFSA-N 445.567 3.381 0 50 IGAA O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cc(F)ccc1F 8601835 ZWAIKIOBDAINSN-GOSISDBHSA-N 427.450 3.051 0 50 IGAA O=C1C[C@@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(I)cc1 8738118 DQBAFXDCKFSDKY-OAHLLOKOSA-N 440.668 3.366 0 50 IGAA O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCN(c2ncccn2)CC1 11719103 DUCFBIGVERBHSX-UHFFFAOYSA-N 447.417 3.415 0 50 IGAA CCOc1cccc(CN2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)c1 11775638 TZFJFLQGRDVXOY-DEOSSOPVSA-N 429.605 3.057 0 50 IGAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 11881394 QQVMLAIRSSEXRY-UHFFFAOYSA-N 434.544 3.287 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](CN3CCCC3)C2)n1Cc1ccccc1 12299914 SEUQTQALKGHYES-OAQYLSRUSA-N 430.618 3.033 0 50 IGAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CCCN2CCCC2=O)CC1 15069235 AQLACQOIBDMYEL-UHFFFAOYSA-N 437.544 3.010 0 50 IGAA O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779774 ROOJRPODMIXXBH-UHFFFAOYSA-N 432.402 3.479 0 50 IGAA Cc1nc2sc([C@@H](c3ccccc3)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)n2n1 225417763 JYNOHJXNZHZNPG-OXFYSEKESA-N 433.537 3.175 0 50 IGAA biogenic CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CCCS(C)(=O)=O)cc1 225718865 KDCQEIPMMDHTSL-IBGZPJMESA-N 438.590 3.194 0 50 IGAA Cc1c(Br)ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239128718 KQYQYKJUYMLGLF-JWJZOWARSA-N 443.341 3.446 0 50 IGAA COCCC(=O)Nc1c(C(=O)OC)n(CCc2c[nH]c3ccccc23)c2ncc(N)cc12 299755494 DONTXGWHRMCWTD-UHFFFAOYSA-N 435.484 3.104 0 50 IGAA O=C(O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 299785053 LSZYMVCOKCSNDU-RBBKRZOGSA-N 426.536 3.098 0 50 IGAA O=C(Nc1ccc(Cl)cc1)c1nccnc1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 473405406 JESZNJVTZBGFFH-GFCCVEGCSA-N 426.864 3.252 0 50 IGAA O=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1cnn(-c2ccccc2Cl)c1 781865417 SUNXMVHVYHYAFK-IBGZPJMESA-N 425.920 3.414 0 50 IGAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NC2CCN(Cc3cccs3)CC2)c1 827647240 LPBDPZZPYWKATC-INIZCTEOSA-N 442.614 3.294 0 50 IGAA COc1ccc(C(=O)[C@H](N[C@@H]2CCc3ccccc3NC2=O)c2oc(C)cc(=O)c2O)cc1 1776111550 DYPOSAYYEWHIQI-CTNGQTDRSA-N 448.475 3.130 0 50 IGAA Cc1ccc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)c(Sc2ccccc2)c1 1875259220 FLAZHMWTHSCRAZ-UHFFFAOYSA-N 449.580 3.369 0 50 IGAA C[C@H]1Cc2ccc(F)c(Br)c2CN1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 2325863745 VMFQOGLXTIZKIM-SCLBCKFNSA-N 449.320 3.147 0 50 IGAA CC1(C)C[C@@H]1C(=O)N1CCC[S@](=O)(=NC(=O)c2csc(N3CCCCC3)n2)CC1 2332238468 AMYRCMRMKFGAJL-MHTXLSKPSA-N 438.619 3.020 0 50 IGAA COc1ccc(NC[C@H](O)Cn2cnc3cc(Br)c(Cl)cc3c2=O)cc1 638894 JMADAOIWHQIBOJ-LBPRGKRZSA-N 438.709 3.294 0 50 IGAA CC(C)c1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 659830 LUHJXDURILHNGR-UHFFFAOYSA-N 433.549 3.064 0 50 IGAA COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 2885086 OAQSSZISJRLCHN-UHFFFAOYSA-N 439.537 3.182 0 50 IGAA O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1Cl 8593710 RHEJPUGKPRBNTB-UHFFFAOYSA-N 431.945 3.396 0 50 IGAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1 8834813 JDLNLTCTMGSZII-FGGAIWKESA-N 448.544 3.195 0 50 IGAA O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccc(F)cc2)CC1 9477632 QKECHJCMUVJMPA-UHFFFAOYSA-N 439.443 3.075 0 50 IGAA Cc1n[nH]c(C)c1CN(C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 12317348 VNONMFFEWAPASZ-UHFFFAOYSA-N 429.590 3.485 0 50 IGAA COc1cc(-c2n[nH]cc2CN2CCC([C@@H](C)N3CCOCC3)CC2)cc(OC)c1OC 12447451 GACIKYIPLDDIFT-QGZVFWFLSA-N 444.576 3.035 0 50 IGAA Cc1c(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C 13518914 YZBCPLCLCMROPI-UHFFFAOYSA-N 425.533 3.143 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(C(=O)Cc3c(F)cc(F)cc3F)CC2)O1)c1ccccn1 14986032 BVWPXWVJXMLRRQ-INIZCTEOSA-N 447.457 3.012 0 50 IGAA CC(=O)c1ccc(OCC(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 15071572 IDGNEPYWAHGLGG-QHCPKHFHSA-N 435.568 3.390 0 50 IGAA C[C@H]1CN(C2CCN(C(=O)c3cn(Cc4cccc5ccccc45)nn3)CC2)C[C@@H](C)O1 20995871 NLDYBJCDUCLHSD-KDURUIRLSA-N 433.556 3.193 0 50 IGAA COc1cccc(C(=O)N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2)c1 239275155 BGGHSYCQLMCMBU-BECHRVIWSA-N 428.488 3.353 0 50 IGAA CN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 241401094 NBDHYAPMBUPPHN-GOSISDBHSA-N 438.496 3.385 0 50 IGAA Cc1ccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1N1C(=O)CNC1=O 478181945 LUHLSROTZGRXQC-UHFFFAOYSA-N 431.901 3.259 0 50 IGAA CN(C)S(=O)(=O)c1c[nH]c(-c2nc(-c3ccc(-n4cnc5ccccc54)cc3)no2)c1 761866793 ULFYNAPTRRPIKZ-UHFFFAOYSA-N 434.481 3.321 0 50 IGAA CCn1nc(-c2nnc(N3CC[C@@]4(C)[C@H](C3)C4(Cl)Cl)n2C)c2ccccc2c1=O 809865739 XTUJGKLWNXINFP-LIRRHRJNSA-N 433.343 3.232 0 50 IGAA CNC(=O)CN(Cc1cc(-c2cccs2)n(C)n1)C[C@@H](c1ccc(C)o1)N1CCCC1 1875303585 DWDIVHBRCSKBDX-FQEVSTJZSA-N 441.601 3.435 0 50 IGAA COc1cnc2nc(NC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)sc2c1 1875354688 LLIUXNSOXLCFTB-XOBRGWDASA-N 444.513 3.368 0 50 IGAA Cn1ccc([C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c2ccccc2)n1 1875362888 XVZMORAGTNNZSR-GOSISDBHSA-N 425.432 3.429 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccs1 627979 VNEMGMWMFOFQMF-XBNGYDHASA-N 430.938 3.123 0 50 IGAA FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(N2CCOCC2)n1)C(F)(F)F 754081 DLJZGEARLIQLAE-UHFFFAOYSA-N 429.365 3.325 0 50 IGAA biogenic COc1ccc(CCNC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc1OC 814965 TZSJQUYGTIRXOF-IBGZPJMESA-N 433.302 3.318 0 50 IGAA CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 944416 PEPHELWTTYEJRU-UHFFFAOYSA-N 443.338 3.498 0 50 IGAA CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1 1077439 JXDSCPVFILAXQY-UHFFFAOYSA-N 426.502 3.058 0 50 IGAA COC(=O)COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 1133650 RDGJDPICPPLUOI-WQRHYEAKSA-N 429.450 3.497 0 50 IGAA CCOc1ccccc1N1CCN(C(=S)NCCc2ccc(OC)c(OC)c2)CC1 5041963 KUBGQKSAVQWGFP-UHFFFAOYSA-N 429.586 3.342 0 50 IGAA NCCCOCCOCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21 14632710 RBOKPWRAYLKQAK-UHFFFAOYSA-N 442.556 3.314 0 50 IGAA biogenic,in-vitro O=C(c1nn(CCCc2cccnc2)c2c1CN(Cc1cccnc1)CC2)N1CCCCC1 14747638 CZUGOZYLKTXSHC-UHFFFAOYSA-N 444.583 3.490 0 50 IGAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 14748859 WWLMRVFVTNJTNX-UHFFFAOYSA-N 430.574 3.198 0 50 IGAA Cc1c(CN2C(=O)c3cccc(N4CCN(C[C@@H]5CC=CCC5)CC4)c3C2=O)cnn1C 14982339 AEZNUGWFYUAHBB-LJQANCHMSA-N 433.556 3.003 0 50 IGAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]4CN(C(=O)Cc5cccc(F)c5)CC[C@@H]43)cc2n1 14990367 ZGUIDPAKFBZKLX-KNQAVFIVSA-N 449.530 3.181 0 50 IGAA Cc1nc2sc([C@@H](c3cccs3)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)n2n1 225423011 VAASRWIMSKUICU-QWQRMKEZSA-N 439.566 3.237 0 50 IGAA biogenic COc1ccc(C[C@]2(CCC(=O)N(Cc3c(C)nn(C)c3C)C(C)C)CCC(=O)N2)cc1 299773182 CXYPRXCYQTZBCQ-RUZDIDTESA-N 440.588 3.454 0 50 IGAA CCCN(C(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)[C@@H]1CCc2ccccc2C1 474571028 WVGZYNZBXNGOME-OAHLLOKOSA-N 433.438 3.122 0 50 IGAA O=C1CCc2ccc(O)c(c2)Oc2cccc(c2)[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2N1 1875242155 KRMDYVJVMGNJNJ-LEWJYISDSA-N 429.476 3.250 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)[C@@H]2CCCc3ccccc32)CC1=O 2325819398 DBRVAOPSBARPLQ-LKUPVBHCSA-N 426.538 3.120 0 50 IGAA CC[C@@H]1CC[C@@H](C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3cccc4c3ccn4C)CC2)O1 2332238851 OBHRYVTZPUZBLX-QJYZCUJWSA-N 445.585 3.365 0 50 IGAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nnc2c3ccccc3c(C)nn12 1120491 HNORAGPOODCDNS-UHFFFAOYSA-N 437.525 3.436 0 50 IGAA CCN(Cc1nonc1C)C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Br)n1)(C3)C2 2789791 NJLKKEBFDZUAEH-BAUKFBFWSA-N 449.353 3.076 0 50 IGAA Cc1ccnn1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 2794437 ZKGSNOWMZKBLMM-UHFFFAOYSA-N 445.372 3.103 0 50 IGAA Cc1nn(Cc2ccc(-c3nc4c5cnn(C)c5ncn4n3)cc2)c(C)c1Br 2800211 LTUMGPBFCJNURG-UHFFFAOYSA-N 437.305 3.302 0 50 IGAA COc1cccc(CCc2nnc(CCC(=O)NCc3ccc(OC)cc3OC)o2)c1 11716851 YPCMKOLRMYWRPN-UHFFFAOYSA-N 425.485 3.130 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)cc1OC 11816310 RJACSWGOXLDFEL-IBGZPJMESA-N 440.588 3.095 0 50 IGAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(CCCc4ccccc4)C3)CC2=O)c1 11932653 FVDLEXVIAAWFLK-XMMPIXPASA-N 447.579 3.037 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccco2)(c2ccccc2Cl)C1=O 12051169 JXCXUDZFRWNZIP-JOCHJYFZSA-N 432.904 3.015 0 50 IGAA CCOC(=O)N1CCC(NC(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)CC1 12149441 ISSUINBTDFFINJ-UHFFFAOYSA-N 440.529 3.050 0 50 IGAA Cc1ccccc1-n1cc(CNC(=O)Cn2cc(NC(=O)c3ccccc3F)cn2)cn1 12149762 YDSZMQSTAXNGLQ-UHFFFAOYSA-N 432.459 3.085 0 50 IGAA COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1I 16400948 ZUGDZQHOVINNPN-UHFFFAOYSA-N 449.335 3.370 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1I 16425563 LGXJZZMQRASILR-UHFFFAOYSA-N 425.194 3.379 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3cccn3-c3ncccn3)C2)cc1OC 20322410 CMQGASSUSPJRPI-NRFANRHFSA-N 435.572 3.423 0 50 IGAA O=C1c2ccccc2C(=O)N1CCN(CCN1C(=O)c2ccccc2C1=O)c1ccccc1 71769580 BDFSOUBNXLZJLI-UHFFFAOYSA-N 439.471 3.085 0 50 IGAA COc1cc(OC)cc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 169750954 GERJAHOEHKWBFP-UHFFFAOYSA-N 446.507 3.227 0 50 IGAA COc1ccc2ccccc2c1CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 237333769 MERSEUUXAABUOL-FQEVSTJZSA-N 433.556 3.234 0 50 IGAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(Cl)c1 239174455 QAZYDBCLYXSKPB-CECNQVBVSA-N 438.911 3.411 0 50 IGAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 825125155 KISQKBAZBBTVDX-GOSISDBHSA-N 431.514 3.088 0 50 IGAA CCCCn1nc(C)cc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1529174958 ZYBOIIIQCSANDM-UHFFFAOYSA-N 428.533 3.500 0 50 IGAA Cc1cc(-c2ccc(S(=O)(=O)N3C[C@H]4CNC[C@]4(CCc4ccccc4)C3)o2)on1 1772710096 OGMCUJUZQJGHCM-XMSQKQJNSA-N 427.526 3.086 0 50 IGAA NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)c1cccnc1Nc1cc(F)ccc1F 1875255505 JUNVEVJRVMQBLA-INIZCTEOSA-N 439.422 3.110 0 50 IGAA O=C(N[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccnc(N2CCCC2)n1 1875318469 REUJZCREESLRGW-QGZVFWFLSA-N 434.327 3.309 0 50 IGAA CCS(=O)(=O)CCn1cc(NC(=O)Nc2c(C)cc(Br)cc2F)cn1 2325749872 WUMBTWWDUBIQIB-UHFFFAOYSA-N 433.303 3.172 0 50 IGAA COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 980301 OQLRDYLFHXUGGD-UHFFFAOYSA-N 444.431 3.205 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2056102 JMUJQMLEMUJSSL-LVSKKATPSA-N 438.936 3.452 0 50 IGAA Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](C)N2CCCC2=O)CC1 11773733 LAPRJSOUPWUFII-QGZVFWFLSA-N 438.532 3.010 0 50 IGAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1=O 11880401 QIKJRAOCTNJTMQ-JOCHJYFZSA-N 443.547 3.470 0 50 IGAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1 11996402 YGCSIGITTBMRCJ-NRFANRHFSA-N 436.556 3.138 0 50 IGAA O=C(CCn1cccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12302046 XEWUVMAUBZJKLF-RUZDIDTESA-N 436.600 3.160 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 13679879 IVDQJHLDNRSGSO-UHFFFAOYSA-N 430.526 3.211 0 50 IGAA CCCCOc1c(Br)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 13915295 IELZIXNLHIORIK-HNNXBMFYSA-N 427.295 3.438 0 50 IGAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2ccc3nonc3c2)cc1 14963250 ZKUWFFLABLZCLH-JOCHJYFZSA-N 432.524 3.384 0 50 IGAA COc1ccc(Cc2noc(CN3CCN([C@H]4CCc5ccccc5C4)CC3)n2)cc1OC 20453472 FPERDVXBFUMNAE-QFIPXVFZSA-N 448.567 3.353 0 50 IGAA Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758041 ZFNJRCLFEZWIPC-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA COc1ccc([C@@H](CNS(=O)(=O)NCC(F)(F)F)c2c[nH]c3ccccc23)cc1 170613278 MLVNQQMAOOLSRX-MRXNPFEDSA-N 427.448 3.295 0 50 IGAA Cc1c(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)nnn1-c1ccc2c(c1)OCCO2 225410015 SSGCLBUMGGUBRT-HNNXBMFYSA-N 449.294 3.117 0 50 IGAA O=C(NCCc1csc(=O)[nH]1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 225699956 VJCUVKNVGZUEPP-IFMALSPDSA-N 435.549 3.275 0 50 IGAA C[C@@]1(c2ccc(CNC(=O)N3CCc4cc(-c5ccccc5)oc4C3)cc2)NC(=O)NC1=O 476047537 DZVKEZIUVJIYML-VWLOTQADSA-N 444.491 3.269 0 50 IGAA COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 788354155 MXRILNSLZJXRDG-OCCSQVGLSA-N 447.406 3.470 0 50 IGAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(Cc4ccc5ccccc5c4)nn23)C1 951726900 PIQRXAWAFWLYDS-KRWDZBQOSA-N 427.555 3.069 0 50 IGAA CCC(=O)N1CCc2ccc(NC(=O)C(=O)N(C)Cc3ccc(OC)c(Cl)c3)cc21 1875317212 RHEVRQOLBNNIRB-UHFFFAOYSA-N 429.904 3.245 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)NCCN[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 2325724072 SHUSTSHVSCVRFR-SFHVURJKSA-N 425.554 3.352 0 50 IGAA C[C@]1(CNC(=O)c2ccc3[nH]nc(I)c3c2)COc2ccccc2O1 2325854211 SAHSIHHENFBSRL-SFHVURJKSA-N 449.248 3.127 0 50 IGAA Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC[C@@H]1CCCO1 1062352 BPHOJZNELNVLFM-KRWDZBQOSA-N 437.525 3.019 0 50 IGAA CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 1126895 FPCCIVKUZSMZDI-UHFFFAOYSA-N 438.505 3.385 0 50 IGAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2354450 UBNNWHDVXJNJDC-DHIUTWEWSA-N 445.563 3.095 0 50 IGAA CC(C)[C@@H](NC(=O)c1cccs1)c1nnc(SCC(=O)Nc2nccs2)n1C 4196612 ODPWEEHYLBVASM-CYBMUJFWSA-N 436.588 3.191 0 50 IGAA CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cn1 6214299 WUGRHYKVZYJFDH-MRXNPFEDSA-N 448.317 3.171 0 50 IGAA O=C1CC[C@H](N2CCN(c3ccccn3)CC2)CCN1Cc1cc2c(cc1Cl)OCO2 11787576 DYVUQEFMUCXGLI-SFHVURJKSA-N 442.947 3.167 0 50 IGAA Cc1ncc2c(c1CNC(=O)CN1CCCCC1)CCN(C(=O)C1C(C)(C)C1(C)C)C2 12156779 FJPPNRSCANRPJT-UHFFFAOYSA-N 426.605 3.059 0 50 IGAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2CCC(C)CC2)c1 12281218 QQKNRWIWBJRFLM-UHFFFAOYSA-N 431.577 3.210 0 50 IGAA CC(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)cc1 14733839 RFIDPZLONDEGJX-ACRUOGEOSA-N 426.561 3.370 0 50 IGAA COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2ccccn2)CC3)cc1 14748026 ANEIREYYUGXNTI-UHFFFAOYSA-N 436.556 3.340 0 50 IGAA C[C@@]1(Cc2ccccc2)OC(=O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@@]2(C)O)[C@@]1(C)O 14943528 DQGRJAZMPUBWTA-WAPCQROESA-N 440.496 3.226 0 50 IGAA CCOC(=O)N1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)CC1 19223808 BOCOVWQJRVPMDI-UHFFFAOYSA-N 433.578 3.076 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(C)nc(N3CCCC3)n2)CC1 64800358 WNOQSUQVRTYHKK-UHFFFAOYSA-N 430.940 3.401 0 50 IGAA CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(c2ccc(Br)cc2)=NO3)cc1 169755058 ATAXEQWWLIRWKP-UHFFFAOYSA-N 443.345 3.429 0 50 IGAA CC[C@@H](C(=O)NCCn1ccn2nc(-c3cccc(OC)c3)cc2c1=O)c1ccccc1 169777054 OPWVROBGWHZBHD-OAQYLSRUSA-N 430.508 3.482 0 50 IGAA COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)cc1 239402781 RDBYOWCGEUWIQO-KNPYFFGGSA-N 442.471 3.283 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 245312361 UVOPOOFLTDESHU-DNVJHFABSA-N 446.459 3.461 0 50 IGAA COC(=O)C[C@H](c1oc2ccccc2c(=O)c1O)c1cc2cccc3c2n(c1=O)CCC3 253401604 FSEHVKRCCPHUGE-KRWDZBQOSA-N 431.444 3.455 0 50 IGAA biogenic COc1ccc(-c2cc3n(n2)[C@@H](NCc2cccc(Br)c2)CNC3=O)cc1 263619411 YOSHKCNOGZJCHO-LJQANCHMSA-N 427.302 3.353 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)NC[C@@H]2CC23CCCCC3)(c2ccccc2)C1=O 299779539 UKXLLFLYZWUNDA-NBGIEHNGSA-N 426.557 3.197 0 50 IGAA CN(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 742490498 KZWHCWYRTFRRGB-CQSZACIVSA-N 434.525 3.215 0 50 IGAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(-n3nc(C)cc3C)c2)cc1OC 1529167363 KTDROEVAIHBCBC-JWQCQUIFSA-N 437.540 3.441 0 50 IGAA O=C(NC1C[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc34)C[C@@H]2C1)c1cc[nH]n1 1875360344 GDPXECSPSGXRFF-IRXDYDNUSA-N 425.496 3.060 0 50 IGAA Cc1cc(C(=O)Nc2ccc3c(c2)C[C@@H](O)C3)cc(C(=O)Nc2ccc3c(c2)C[C@@H](O)C3)c1 2325743989 ZIBDOURWJKAGKK-DQEYMECFSA-N 442.515 3.419 0 50 IGAA Cc1nnc(N2CCN(C(=O)Nc3ccccc3N3CCc4ccccc4C3)CC2)nc1C 2325749603 XIKHGQOFCBWFCF-UHFFFAOYSA-N 443.555 3.405 0 50 IGAA C[C@@H](NC(=O)[C@@H]1CC(=O)c2sc(NC(=O)Cc3ccccc3)nc2C1)c1nccs1 11965211 GPXCGRPDOAQXEF-OCCSQVGLSA-N 440.550 3.403 0 50 IGAA C[C@H]1CN(C(=O)[C@@H]2CC(=O)c3sc(NC(=O)CC4CCCCC4)nc3C2)C[C@@H](C)O1 12190519 QJWOOURYYMATHZ-LZWOXQAQSA-N 433.574 3.433 0 50 IGAA COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1 12419264 PDZYZFUIYKUFNT-UHFFFAOYSA-N 428.529 3.088 0 50 IGAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12718691 RFQIURCHCOJMQO-KRWDZBQOSA-N 433.915 3.126 0 50 IGAA CN(C)CC(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)Cc2cccc(F)c2)CC1 14953909 LLAOWIGSRNWMEW-XMMPIXPASA-N 439.575 3.238 0 50 IGAA CO[C@@H]1CCCN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)C1 14969466 YSCRNEIXIRBGOJ-RUZDIDTESA-N 427.633 3.433 0 50 IGAA O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55072934 LDBYCUNBPOOPBX-HXUWFJFHSA-N 427.932 3.496 0 50 IGAA O=C(NCCOc1ncccc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 437816515 RNVYXKHJGZDKKN-UHFFFAOYSA-N 426.897 3.156 0 50 IGAA Cc1nn(C(F)F)cc1NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301510 LTJIWUCQWJAISD-LBPRGKRZSA-N 433.337 3.412 0 50 IGAA COC(=O)c1nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)c2sccc2n1 2325863793 WVXJKZUDOKRBAH-UHFFFAOYSA-N 429.449 3.280 0 50 IGAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)cc1Cl 1063511 YCIVQWDTVHHSSL-UHFFFAOYSA-N 447.738 3.370 0 50 IGAA O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 9008492 SMCDCJKEWHHGAJ-GOSISDBHSA-N 432.307 3.083 0 50 IGAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2COc4ccccc4O2)C3)n1 11977431 YKWCDPDUKISWGB-UTKZUKDTSA-N 435.455 3.159 0 50 IGAA COC(=O)c1cc(CNC(=O)c2nonc2C)cc(NC(=O)c2ccccc2Cl)c1 12030329 ADGIQJCVVNOUNF-UHFFFAOYSA-N 428.832 3.000 0 50 IGAA COCc1c(C(=O)N[C@H]2CCOC(C)(C)C2)cnn1-c1nccc(-c2cccs2)n1 12128675 TWNYHQPEXYVUBB-AWEZNQCLSA-N 427.530 3.225 0 50 IGAA CCN(CC)CCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C 15008899 PODQDVTXXQKHMJ-UHFFFAOYSA-N 448.571 3.159 0 50 IGAA COC(=O)c1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 16267354 ZWBMFZWMODAJPA-NVNXTCNLSA-N 432.288 3.459 0 50 IGAA COc1ccc(CN2CCN(Cc3nccn3-c3cccc(C)c3)C[C@@H]2CCO)c(F)c1 19221080 MUFRPWNZMHMUFT-QFIPXVFZSA-N 438.547 3.397 0 50 IGAA COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@H](O)CN1CCCCCCC1 20999753 PNVPCTQCYRYXNO-XMMPIXPASA-N 445.648 3.229 0 50 IGAA Cn1cnnc1Sc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)o1 22914551 KADIWMMZSIGWCK-FQEVSTJZSA-N 438.601 3.346 0 50 IGAA O=C(CCn1cnc2ccccc21)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55414648 AMUHAFGDWBKPDQ-QFIPXVFZSA-N 435.547 3.379 0 50 IGAA O=C(Nc1cccc(O)c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 100742277 SPCIKAHTGSLSJS-UGKGYDQZSA-N 433.391 3.450 0 50 IGAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)NCc1ccccc1Cl 169758005 NDAQUMJOTWWJMH-LJQANCHMSA-N 446.290 3.187 0 50 IGAA O=C1CCc2cc(S(=O)(=O)Nc3c(Br)cnn3-c3ccccc3)ccc2N1 225393478 VOKSMZRJGSSOGL-UHFFFAOYSA-N 447.314 3.320 0 50 IGAA CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C(C)=O 225529918 YYJSPXIKHRJABO-UHFFFAOYSA-N 433.305 3.086 0 50 IGAA Nc1nccnc1C(=O)OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 229421626 BFVRUKNNESEZQE-WMKLYQOCSA-N 447.451 3.225 0 50 IGAA CNC(=O)CCc1ccccc1NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 952862124 MJHWHLXSLIXGRD-UHFFFAOYSA-N 443.503 3.287 0 50 IGAA O=C([C@@H]1CCn2nccc2C1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857718003 KBLLFDBTXVHMRK-GOSISDBHSA-N 429.524 3.115 0 50 IGAA CNc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 658350 FQHCTPLAWAWDOI-JTQLQIEISA-N 443.360 3.176 0 50 IGAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1Br 2502865 OOSGUMYFMONKLG-MRXNPFEDSA-N 439.331 3.289 0 50 IGAA Cc1ccc(-n2c(S)nnc2Cn2ncc3ccccc3c2=O)c(Br)c1 9010130 HILXQYJRECRDIX-UHFFFAOYSA-N 428.315 3.385 0 50 IGAA COc1ccc(CNCc2ccc(-n3cccn3)cc2)c(OC[C@@H](O)CN2CCCC2)c1 11662637 XKBHMMOGXJBETQ-QHCPKHFHSA-N 436.556 3.006 0 50 IGAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)CCc4cnn(C)c4)CC3)cc2)n1 11816515 ZAMMJRQMTMXOSD-UHFFFAOYSA-N 434.544 3.033 0 50 IGAA O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCCC1 12247467 FUMHCERRUYJJEV-MOPGFXCFSA-N 439.556 3.081 0 50 IGAA O=C(CCn1cccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12302042 XEWUVMAUBZJKLF-VWLOTQADSA-N 436.600 3.160 0 50 IGAA CC(C)c1nc(CNCc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)cs1 19741202 VDALDHRSAWPRSF-UHFFFAOYSA-N 432.619 3.043 0 50 IGAA Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(C/C(Cl)=C/c4ccccc4)CC3)O2)n1 19743899 YTJXIRBGAJBRGL-RMWKRFJVSA-N 428.964 3.443 0 50 IGAA CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1CNCc1ccon1 23369378 FICXROFDNZMMSZ-UHFFFAOYSA-N 439.497 3.459 0 50 IGAA CC(C)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32561882 QZARSVYGCRPDCK-CTNGQTDRSA-N 443.975 3.369 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cc(Cl)ccc4F)ccn3n2)c1 169777063 FHIKWJRTOKGUHZ-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA CN(C(=O)c1ccncc1)c1ccc(CN2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1 170592589 SUYKVNGIXBUDJX-JOCHJYFZSA-N 426.476 3.247 0 50 IGAA COc1ccc(NC(=O)Cn2ncc3c2[C@H](NC(=O)OC(C)(C)C)CCC3)c(OC)c1 170613133 JVXCZHGDBQKVMH-QGZVFWFLSA-N 430.505 3.441 0 50 IGAA O=C(CCc1ccccc1OC(F)(F)F)N1CCC(CNC(=O)C(F)(F)F)CC1 252483615 FFZGEMXELGUNIR-UHFFFAOYSA-N 426.357 3.435 0 50 IGAA CSCC[C@H](CO)NC(=O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 252498619 RGEXABWPAKXIQQ-OAHLLOKOSA-N 449.374 3.269 0 50 IGAA COC(=O)C[C@H](c1oc2ccccc2c(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O 253413360 UOWOEOSLLUVRLO-INIZCTEOSA-N 435.432 3.054 0 50 IGAA biogenic O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 334160292 AHCYNRZNHREAHQ-YLJYHZDGSA-N 435.455 3.198 0 50 IGAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)C1 494865259 NEEBTHPVAFHDLI-OUSNQHOYSA-N 442.003 3.283 0 50 IGAA COc1cc(CN)ccc1Oc1ccc(C(=O)N2CC[C@]3(CCCNC3)C2)cc1OC 1857694081 ZXXKYFVWXFKSDW-DEOSSOPVSA-N 425.529 3.171 0 50 IGAA C[C@@H](NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1)c1ccc(S(C)(=O)=O)cc1 2325879230 NFHXBKOKPQKENG-GFCCVEGCSA-N 440.543 3.392 0 50 IGAA O=C(CSc1nnnn1-c1ccc(I)cc1)c1ccc(F)cc1 1057554 STTAQDFWSOEXRJ-UHFFFAOYSA-N 440.241 3.381 0 50 IGAA COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 1118412 DHJUYQWISXCQGP-UHFFFAOYSA-N 442.493 3.413 0 50 IGAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 1141772 PXSQBJPMDWJDEZ-CQSZACIVSA-N 437.949 3.273 0 50 IGAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1215041 YERULVNDORMQHU-PMACEKPBSA-N 425.481 3.450 0 50 IGAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 8951544 WAZOUWGYXCSDCX-OAHLLOKOSA-N 432.567 3.105 0 50 IGAA O[C@@H](COc1ccccc1CNCCc1c[nH]c2ccccc12)CN1CCSCC1 14975377 MRQVMTXPTCNFSH-OAQYLSRUSA-N 425.598 3.289 0 50 IGAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCCCC5)nnnc4c23)CO1 19799262 UCACIUHDYORBGR-UHFFFAOYSA-N 440.573 3.313 0 50 IGAA CCOC(=O)[C@H](NC(=O)CCc1c(C)nn(C)c1C)c1c(C)nn(-c2ccccc2)c1C 170621443 BNZKVYOGBJUDRO-HSZRJFAPSA-N 437.544 3.193 0 50 IGAA CN1CCCN(C(=O)c2nc3sccn3c2CN2CCCC[C@H]2c2nccs2)CC1 244701310 KDYPALMQDDCONQ-INIZCTEOSA-N 444.630 3.357 0 50 IGAA CC(C)C[C@H](C(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248295233 WOHRPSVJTVWLJP-VGUOSERISA-N 440.588 3.498 0 50 IGAA CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(C)C)C(=O)O 252346928 JZLWYSPHIJJBDU-KLIQENQMSA-N 446.548 3.469 0 50 IGAA O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CCC[C@H](Cc2nnc3ccccn23)C1 1875261068 ATUVPEKBKVQFHS-QGZVFWFLSA-N 442.527 3.421 0 50 IGAA O=C(NS(=O)(=O)c1cc(Cl)ccn1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 1875342961 BBSPSISYTDYJCY-SFHVURJKSA-N 442.880 3.308 0 50 IGAA Cn1ccc([C@@H](c2ccc(F)cc2)N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)n1 2325746393 KHYFYYXFRDWLEY-JOCHJYFZSA-N 447.514 3.235 0 50 IGAA CCn1cc(Br)c(CC(=O)N[C@H](C(=O)O)c2cccc(-c3ccncc3)c2)n1 2325875716 AGCPNCPDRFVRLO-IBGZPJMESA-N 443.301 3.212 0 50 IGAA O=C(N[C@H]1C[C@@H]2CN(C(=O)c3cn4ccnc4s3)C[C@@H]2C1)c1scnc1C1CC1 2325876475 WPLZPVQGLCZDJU-WDNDVIMCSA-N 427.555 3.010 0 50 IGAA Cc1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 1157303 MXJLJZNXMGVWSR-UHFFFAOYSA-N 444.294 3.004 0 50 IGAA COc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 2953622 JOGGZMTUHTYPEZ-UHFFFAOYSA-N 427.931 3.124 0 50 IGAA COc1ccc(F)c(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)c1 12036246 LPERIUBXJKPZPN-DEOSSOPVSA-N 425.504 3.257 0 50 IGAA Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)sc2ncnc(NCCCN3CCCC3=O)c12 12456345 JDSGKNCRCZTZND-HNNXBMFYSA-N 445.589 3.112 0 50 IGAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2cc(C3CC3)on2)C1 12582017 UDFIPXDFFNITTP-IBGZPJMESA-N 440.588 3.477 0 50 IGAA Cc1cc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 16041282 FGGMXERUOZRFGO-LJQANCHMSA-N 435.476 3.171 0 50 IGAA biogenic Cc1cc(-c2nnc(SCC(=O)Nc3nnc(C)s3)n2C[C@@H]2CCCO2)cs1 17100708 ZYHADCCQDSZGBM-ZDUSSCGKSA-N 436.588 3.385 0 50 IGAA COc1cccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)c1OC 33316042 TXBDKYVNVRDWSB-XDHOZWIPSA-N 437.521 3.418 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 101888487 FZAQNMOLWKREQE-RZTYQLBFSA-N 431.444 3.046 0 50 IGAA O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC1(C2CC2)CCOCC1 170597315 IKQDHLDHLMXXMQ-UHFFFAOYSA-N 433.599 3.172 0 50 IGAA O=C(OCC(=O)c1cccs1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239302508 FJKXRGSDWAUEKN-OPLYSGQSSA-N 433.485 3.345 0 50 IGAA O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](n2cc(C(=O)N3CCCC3)nn2)CC1 244787806 QEARKVBGXOCJJU-HDICACEKSA-N 449.477 3.376 0 50 IGAA COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC[C@@H](O)c2cccc(F)c2)CC1 921081155 LOAWFGSWLLZEDA-LJQANCHMSA-N 434.895 3.190 0 50 IGAA COc1ccc(CCN(Cc2ccncc2)S(=O)(=O)N2CCC(C)CC2)cc1OC 952871882 FNYIBMNNMPUQQD-UHFFFAOYSA-N 433.574 3.120 0 50 IGAA O=C([C@@H]1C[C@H]1c1cccs1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 1857798536 MCTVDBBTDBBIHI-IACUBPJLSA-N 444.372 3.423 0 50 IGAA Nc1ncc(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)cc1Cl 2325725109 AGHYALBHDIQGRO-PKOBYXMFSA-N 428.920 3.484 0 50 IGAA CN(C)C(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 794507 XPWYDKUIFJWOEW-UHFFFAOYSA-N 426.476 3.404 0 50 IGAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 860338 WSRYGRQHDAVZTL-UHFFFAOYSA-N 434.005 3.311 0 50 IGAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 1074916 VJKTZGHPLJQMBR-UHFFFAOYSA-N 428.489 3.351 0 50 IGAA CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)c1 1080418 SSHRHCBODLPYNT-UHFFFAOYSA-N 430.313 3.454 0 50 IGAA CCn1cc(Br)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)n1 2780265 VILCSXMTFHUUSI-UHFFFAOYSA-N 436.335 3.008 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc(C(F)(F)F)c1 2979456 ZMNWXPURWQQFGL-UHFFFAOYSA-N 432.489 3.380 0 50 IGAA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1Cl)[C@@H]1C(=O)c3ccccc3C1=N2 8926154 VQLRJUHFEBTSPY-CABCVRRESA-N 440.286 3.470 0 50 IGAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(F)c(OC)c2)CC1 11955362 URHQWQXEWPBVFI-UHFFFAOYSA-N 446.519 3.263 0 50 IGAA COc1ccc(/C=C/CN2CC[C@H]3[C@H](CCC(=O)N3CCCN3CCCC3=O)C2)cc1 14881643 SXPMFHRGGHKWAD-LKBLEWFBSA-N 425.573 3.034 0 50 IGAA Cc1ccccc1CN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)CC1 19632514 KUTIVMCGIRQHEZ-MRXNPFEDSA-N 440.613 3.037 0 50 IGAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1OC 40282788 FBWNJICUXGRPQF-XZOQPEGZSA-N 431.492 3.326 0 50 IGAA C[C@@](Cc1ccccc1)(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)O 170671875 ZSNDGMOOGSHVPJ-VWLOTQADSA-N 427.460 3.202 0 50 IGAA CC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 229383228 HZPNOXCDXWPAGN-XGMKGGNISA-N 425.910 3.022 0 50 IGAA C[C@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 248382161 WBWKXFNDVWKBSK-UWJYYQICSA-N 426.538 3.299 0 50 IGAA C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@@H]1Oc2ccccc2[C@H]1C 438980489 UDGAGAXMGXKZNK-CLMWXKPWSA-N 432.524 3.485 0 50 IGAA C=CC(=O)N(CC)CC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 1449042832 LBJGSMQGQHPNKY-UHFFFAOYSA-N 447.333 3.240 0 50 IGAA Cc1[nH]o/c(=N/S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1C 1875253680 YYCKJJSEUGYPCY-XDJHFCHBSA-N 447.947 3.030 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NN2Cc3ccc(Br)cc3C2=O)CC1=O 2325819698 NFSFUPZLJJWKAN-XJKSGUPXSA-N 442.313 3.046 0 50 IGAA CSc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 655761 HNFCHORAYYXCAM-GOSISDBHSA-N 434.583 3.207 0 50 IGAA Cc1nn(C)cc1CNC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 998729 NHABLCXRMJESGH-UHFFFAOYSA-N 440.429 3.486 0 50 IGAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(C)cs1 2859369 GREGLHDELUEUIA-UHFFFAOYSA-N 430.559 3.032 0 50 IGAA CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)CCCCC1 11878792 KCGCYNAQPFONNT-LJQANCHMSA-N 430.545 3.206 0 50 IGAA CN(Cc1noc(-c2ccccc2)n1)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11996993 JKWNOBRYEYUFGA-LJQANCHMSA-N 436.487 3.315 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NCCc3ccccc3OC)CCC(=O)N2)c(F)c1 12098551 LEIYUOGBRYHKCB-DEOSSOPVSA-N 428.504 3.173 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCCn2ccnc2)c1 12303210 VQSNMAIQJDIVBL-UHFFFAOYSA-N 426.561 3.498 0 50 IGAA COc1ccc(/C=C/CN2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 12594803 YSCYMVPQCNMHRQ-HQMUEHRGSA-N 430.570 3.408 0 50 IGAA COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c(OC)c1OC 24134265 BIGADXRDODZHDJ-UHFFFAOYSA-N 435.524 3.461 0 50 IGAA C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)Nc4ccccc4)cn1c23 888103965 OQVWNTGDBTYIPX-HNNXBMFYSA-N 436.487 3.098 0 50 IGAA CCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 1857797692 NHPWURKVUAVCJK-DEOSSOPVSA-N 432.568 3.340 0 50 IGAA CC[C@@H](NC[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C 2325722313 KKJMYWRMFBTNQA-FYYLOGMGSA-N 437.584 3.286 0 50 IGAA COC(=O)C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21)c1cccc(Br)c1 2325823351 OPBLBOUYUOZNSC-WBVHZDCISA-N 449.276 3.435 0 50 IGAA S=C(SCc1ccc(CSC(=S)N2CCOCC2)cc1)N1CCOCC1 707387 HNKXYTSHZIKLLX-UHFFFAOYSA-N 428.670 3.387 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)=O)cc3)c(=O)n2[C@H]1c1ccccc1 1214114 JEOFPBLOGYBSPX-PZHBDVNGSA-N 446.528 3.001 0 50 IGAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2ccc[n+]([O-])c2)O3)c1 11911191 DOIUQNKYEPNMIW-GOSISDBHSA-N 440.883 3.391 0 50 IGAA COC[C@H](C)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(OC)c2)C1 14533139 ATQGKTNMLRZUAB-RDPSFJRHSA-N 426.557 3.002 0 50 IGAA O=C(/C=C/c1ccccc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19867574 WMHAMCWAJVZTOW-OUKQBFOZSA-N 439.515 3.293 0 50 IGAA CN(Cc1nccs1)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 67842562 SEGOFUKEWZMJOL-JOCHJYFZSA-N 448.592 3.124 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4nccc5ccccc45)ccn3n2)c1 169777069 LVRCCYQNQIHZRE-UHFFFAOYSA-N 439.475 3.150 0 50 IGAA CCOc1ccc(-c2cn(C3CN(C(=O)c4cnn(-c5ccccn5)c4CC)C3)nn2)cc1 170593248 RRNWIRLNXCPCEY-UHFFFAOYSA-N 443.511 3.184 0 50 IGAA Cc1c(NC(=O)Cn2ncc3ccccc3c2=O)nnn1Cc1ccc(C(F)(F)F)cc1 225493302 SPWXVZSAMGIJFO-UHFFFAOYSA-N 442.401 3.002 0 50 IGAA COC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)cc1 239203473 SKVDKPAIMJETCO-NUXZIGIPSA-N 448.519 3.024 0 50 IGAA CCCCCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1c(N)n(CCCC)c(O)nc1=O 242389675 ZZMYHIRVXIGZSD-KZNAEPCWSA-N 435.613 3.269 0 50 IGAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]42)c(OC)c1 245255110 FNOJKBLDTYSVEE-VJOIJNJFSA-N 446.503 3.495 0 50 IGAA CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 248251573 SKTVPKJDBCMNDH-MRXNPFEDSA-N 445.932 3.284 0 50 IGAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 257349658 PXQRJZNDFRAFTF-REKNCFNESA-N 448.556 3.003 0 50 IGAA COc1cccc(CN2C(=O)N[C@@](C)(C3CCN(C(=O)CCC(C)C)CC3)C2=O)c1OC 299768687 OSHXHQFOSVDTLP-DEOSSOPVSA-N 445.560 3.189 0 50 IGAA O=C(N[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1)c1cc2ccccc2o1 447201251 SPRUFFXXOXAIFV-CYBMUJFWSA-N 430.390 3.288 0 50 IGAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 484285908 RZFAQWUTFPHTDI-KRWDZBQOSA-N 436.560 3.345 0 50 IGAA O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Br)cc2c1OCC2 756109442 FJZRTRBAMPLXFI-UHFFFAOYSA-N 430.707 3.085 0 50 IGAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCOc3ccccc3C2)C1=O 918371881 RFDXOKFEVIUQAC-RUZDIDTESA-N 429.476 3.028 0 50 IGAA c1cncc([C@@H]2c3[nH]cnc3CCN2Cc2ccccc2OCCCN2CCOCC2)c1 952981534 YBMUPLMSEIFNFF-RUZDIDTESA-N 433.556 3.054 0 50 IGAA CCc1cc2c(COC(=O)Cc3csc(NC(=O)NC4CC4)n3)cc(=O)oc2cc1O 1875264384 LBENGMASSYOJFP-UHFFFAOYSA-N 443.481 3.087 0 50 IGAA C[C@H]1CCCCN1C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 11787345 REPQHNCEOCGGGC-SFHVURJKSA-N 446.551 3.495 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cnn3cccnc23)C1 11839249 PKTVBOVVJWMOGM-QFIPXVFZSA-N 426.904 3.411 0 50 IGAA CCN1C(=O)C[C@@](CC(=O)N2CCCC[C@@H]2COC)(c2cccc(C(F)(F)F)c2)C1=O 11840017 FOSZTAKKFIHUEF-DYESRHJHSA-N 440.462 3.140 0 50 IGAA CC[C@H](O)C1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12163477 MXSLULFVWYUVQP-HOFKKMOUSA-N 448.563 3.380 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCCc2ccccc2F)C4)cn1 12245615 YXCIKWRGPCJHRR-KRWDZBQOSA-N 437.544 3.069 0 50 IGAA CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1)c1ccc(Cl)cc12 12379487 SNLBTRLAWGNBAH-FQEVSTJZSA-N 428.901 3.042 0 50 IGAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)c1 14535311 QCRCVUDFCVCTGI-NRFANRHFSA-N 430.552 3.274 0 50 IGAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)[C@H](CCSC)NC(C)=O 15063987 FTZNMIOMSBNFLF-QHCPKHFHSA-N 433.662 3.356 0 50 IGAA O=S(=O)(c1cccc(NC(=S)N2CCN(Cc3ccccc3)CC2)c1)C(F)F 20500287 XTLRUTINVVGKJM-UHFFFAOYSA-N 425.526 3.198 0 50 IGAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cc(C(F)(F)F)ccc2F)cc1 20905969 PMRGSMXOHLJZQO-IBGZPJMESA-N 437.437 3.160 0 50 IGAA CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613701 MTEDPTBCPDQRNN-UHFFFAOYSA-N 444.491 3.090 0 50 IGAA aggregator Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)cc1C 169775967 SNHZYVDRQCMYDY-UHFFFAOYSA-N 429.524 3.276 0 50 IGAA CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](CC)CN1CC(C)(C)O 170606121 XJLVBEJGGDSBOL-CEMLEFRQSA-N 447.595 3.150 0 50 IGAA Cc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)[C@@H](C)S(C)(=O)=O)cc1 225497950 RYUXONDXGVUNTF-KUHUBIRLSA-N 433.555 3.330 0 50 IGAA O=C(c1cn([C@H]2CC[C@@H](NCc3cc4c(cc3Cl)OCO4)CC2)nn1)N1CCCC1 244659781 HIPPQNXRKHSANT-IYBDPMFKSA-N 431.924 3.170 0 50 IGAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)Nc1nc(CCC2CCCC2)n[nH]1 252527943 DUDKVRXQFALGJU-MRXNPFEDSA-N 444.923 3.235 0 50 IGAA CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c[nH]c2c1 263585553 JYPBLKIHIMJNOK-LNPFQXMTSA-N 448.523 3.169 0 50 IGAA biogenic C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1 467430094 PCGYWCZXTLYSFK-JXFKEZNVSA-N 446.393 3.398 0 50 IGAA O=C(Cc1ccc(O)nc1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952892199 FNANWJIWBAQTSY-IBGZPJMESA-N 436.365 3.251 0 50 IGAA COC(=O)c1c(Br)cc(NS(=O)(=O)c2cnn(C(C)C)c2C)cc1OC 2325841374 RIJDFZRAAIGISV-UHFFFAOYSA-N 446.323 3.131 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2cccc(C)c2)cc1 634370 CSFZOTGUWCTKHW-UHFFFAOYSA-N 437.521 3.236 0 50 IGAA Cc1cc(C)nc(NC(=O)NS(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)n1 754111 JOXFHTGHLVALLT-UHFFFAOYSA-N 425.514 3.162 0 50 IGAA CCS(=O)(=O)c1ncc(CN(CCO)Cc2cccs2)n1CCCc1ccccc1 11819893 RWZNWQWKXHEFEE-UHFFFAOYSA-N 447.626 3.366 0 50 IGAA CCCCN1C(=O)/C(=c2\sc3nc(-c4ccc(OCC)cc4)nn3c2=O)c2ccccc21 16729672 IIZGGICOTGLLPY-VXPUYCOJSA-N 446.532 3.281 0 50 IGAA CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(Oc4ccccc4)cc3)n2)CC1 19890986 KXIOCPFOQDRJBQ-UHFFFAOYSA-N 449.515 3.264 0 50 IGAA CCCN1CCC(N2C[C@@H](NCc3ccccc3C(F)(F)F)C[C@H]2C(=O)NCC)CC1 23340125 FMOCWWQEVMNWSP-RXVVDRJESA-N 440.554 3.248 0 50 IGAA C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169781373 VFVFJJXFYTVSHU-FUHWJXTLSA-N 430.468 3.236 0 50 IGAA C[C@@H](CCc1cccc(F)c1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225716339 WBVHWCXEIVNHJB-RXVVDRJESA-N 444.522 3.367 0 50 IGAA O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 226405966 DVWBRQOWUFFCAP-MAODMQOUSA-N 430.460 3.101 0 50 IGAA Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239402771 RCRDVPPOKMVRTM-KHTMQFLISA-N 435.520 3.334 0 50 IGAA Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCCN21 248332355 INMYNIWXRXBYHO-RAZUEPIFSA-N 435.911 3.388 0 50 IGAA COc1ccc(N2C(=O)[C@@H](CCC(=O)NCCn3ccc4ccc(F)cc43)N=C2O)cc1 252502126 UMVDLWZYCXQUOK-LJQANCHMSA-N 438.459 3.015 0 50 IGAA O=C(O)[C@@]1(Cl)[C@]2(Cl)[C@]3(Cl)C(Cl)=C[C@]1(Cl)[C@]2(Cl)[C@@]3(Cl)C(=O)O 254521159 FSRRBXBOENDYJV-TUUAOYNMSA-N 435.301 3.185 0 50 IGAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263618477 TZVJDXRVFCNEBV-NRFANRHFSA-N 449.486 3.180 0 50 IGAA O=C([C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)N1CCO[C@@H](c2cccc(O)c2)C1 484920705 SDGLRRCSGNEEPD-MZKRTTBSSA-N 442.512 3.022 0 50 IGAA CC(C)(C)OC(=O)N[C@H](CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 745824597 KFCPTSYEEUQBOP-LEWJYISDSA-N 446.592 3.195 0 50 IGAA COC(=O)c1cccc(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 758149641 DJTXAHWCCMZUAK-SANMLTNESA-N 442.471 3.346 0 50 IGAA C[C@@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1ccc(N2CCCS2(=O)=O)cc1 1875334545 TYRWJMPSERTRLR-QGZVFWFLSA-N 431.558 3.296 0 50 IGAA COc1ccc(C)cc1-n1cnc(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2)c1 2325743996 AXRIUHFUODSQEP-GOSISDBHSA-N 444.285 3.335 0 50 IGAA CN(C)[C@@H]1CCC[C@H]1N=c1[nH]c(Nc2ccc(C(=O)NC3CC3)cc2)ncc1C(F)(F)F 2325899759 VLCXBDGNSAGPRB-QZTJIDSGSA-N 448.493 3.448 0 50 IGAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 2356168695 BERHFHBAKMYICH-UHFFFAOYSA-N 427.497 3.425 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(N)=O)c2ccccc2F)cc1 1115613 IWDONZFJRSTRBB-UHFFFAOYSA-N 441.484 3.067 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C 2857186 AZPLPQDLOTVCCS-UHFFFAOYSA-N 438.571 3.369 0 50 IGAA COC(=O)c1c(NC(=S)N[C@@H](C)c2ccc3c(c2)OCO3)sc(C(=O)N(C)C)c1C 2858124 POOPZXRWKWBRNB-NSHDSACASA-N 449.554 3.321 0 50 IGAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 8687452 QBGIHOUIQZNXJX-VAZXNAHHSA-N 432.451 3.409 0 50 IGAA CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1F 8995456 HCCSUHAPCMJJBL-UHFFFAOYSA-N 429.473 3.350 0 50 IGAA CCCc1cc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccsc3)C2)n(C)n1 11787851 TUBVDHHXTPASTE-UHFFFAOYSA-N 437.569 3.266 0 50 IGAA COc1cc(CNCc2cc(-c3ccccc3)on2)ccc1OC[C@H](O)CN1CCCC1 11934735 UJMOXEYFBPFYDH-JOCHJYFZSA-N 437.540 3.476 0 50 IGAA O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 13494483 KHXJMPWAFLDRHK-AWEZNQCLSA-N 428.341 3.106 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1ccc3[nH]ccc3c1)CC2 14751276 DPWRBEPXWJLFIQ-UHFFFAOYSA-N 429.480 3.183 0 50 IGAA COc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC(C)C)cc(OC)c1O 14991567 TUZPIHJQRMAJQL-SJORKVTESA-N 431.558 3.064 0 50 IGAA Cc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc(Br)cc2)cc1 16448090 IWYDKCMEZUDWQO-INIZCTEOSA-N 442.356 3.264 0 50 IGAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](N1CCC(N3CCCCC3)CC1)CC2 19229105 LBMAVOPGWOTYJL-HXUWFJFHSA-N 439.604 3.093 0 50 IGAA Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(C/C(Cl)=C/c4ccccc4)CC3)O2)n1 19743897 YTJXIRBGAJBRGL-YKRMCXMESA-N 428.964 3.443 0 50 IGAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(Br)s1 20607031 NGEWLOJKPYKBMO-UHFFFAOYSA-N 443.186 3.310 0 50 IGAA COc1ccc(-c2noc(CN3CCN(Cc4cccc(C)c4)CC3)n2)c(OC)c1OC 20993537 GQLQZXPQNWYVOK-UHFFFAOYSA-N 438.528 3.389 0 50 IGAA O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 116586164 WMNSUQXRYODIJQ-UHFFFAOYSA-N 438.553 3.313 0 50 IGAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1ccc(Cl)cc1F 169760400 BRCPLRYVSXEEAT-UHFFFAOYSA-N 426.835 3.087 0 50 IGAA CCOC(=O)C1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1 169777108 NIGZJVDRVOKFJU-UHFFFAOYSA-N 432.484 3.221 0 50 IGAA CC(C)Cn1c([C@@H](C)NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886025639 PBIQZMUCBWTHNI-DNVCBOLYSA-N 433.512 3.010 0 50 IGAA CC(C)C(=O)C(F)(F)C(=O)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952891614 AXQVHQOADKDROP-MRXNPFEDSA-N 432.349 3.024 0 50 IGAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)c2cncn2-c2ccc(F)cc2)C1 1875254771 ROGHELFHFFINAS-QUCCMNQESA-N 432.459 3.399 0 50 IGAA C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1ccc2c(=O)ccoc2c1 2325701256 DZASMOSXFAPXBU-HNNXBMFYSA-N 426.494 3.166 0 50 IGAA CCOC(=O)[C@H]1c2ccc(O)cc2CCN1C(=O)c1ccc(NC(C)=O)c(SC)c1 2325826521 DPWGEZIHAUISAX-HXUWFJFHSA-N 428.510 3.375 0 50 IGAA CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325895573 DMRXSIOHFIRDMG-NHCUHLMSSA-N 445.519 3.061 0 50 IGAA Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 9211709 ZWFOLIQMNQIDNF-UHFFFAOYSA-N 447.470 3.302 0 50 IGAA C[C@@H]1CN(CCC(=O)N2CCN(Cc3cccnc3)CC2)Cc2cc(Cl)ccc2O1 11880656 ILHPIDLGYNNOLD-GOSISDBHSA-N 428.964 3.052 0 50 IGAA COc1cc(C[C@@]2(CCC(=O)NCCc3ccccc3OC)CCC(=O)N2)ccc1F 12203558 UGGLSCUJVNHOJC-XMMPIXPASA-N 428.504 3.173 0 50 IGAA CC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 12446344 IRKPIUBDMJZLQM-UHFFFAOYSA-N 442.475 3.006 0 50 IGAA Cc1nnc(SCCNC(=O)c2cc(COc3cccc4cccnc34)on2)s1 12752841 ODOBNFMYWAEIDQ-UHFFFAOYSA-N 427.511 3.484 0 50 IGAA CC1(C)C(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CC3CC3)C2)C1(C)C 14538673 OXAMXJAZZFAZAT-UHFFFAOYSA-N 435.572 3.185 0 50 IGAA COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccccc2)C3)c1 14733440 DBQWFVOSHGJPLT-UHFFFAOYSA-N 430.508 3.031 0 50 IGAA Cc1ccc(F)c(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1F 14750729 OPTYKLCKFGBFGQ-KRWDZBQOSA-N 446.542 3.245 0 50 IGAA COCCCN1C(=O)C[C@](CC(=O)NCc2cc(F)ccc2C)(c2ccccc2C)C1=O 14980817 CKIYCQIAQLWAHX-RUZDIDTESA-N 440.515 3.182 0 50 IGAA Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)n1 14985915 QIXXWJHQXNRJHH-UHFFFAOYSA-N 443.551 3.118 0 50 IGAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccs1 19865854 UYLCJPHRJDPWRC-IRLDBZIGSA-N 444.564 3.456 0 50 IGAA CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@]2(CC=CCC2)C1 170626823 DZGPBUQWZHGSAO-AUSIDOKSSA-N 429.586 3.489 0 50 IGAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 239378273 OMZZVFUQHSVKQX-FVJVTNMWSA-N 434.529 3.418 0 50 IGAA Cn1ccc(N2CCC[C@H](NCC3(c4cccc(C(F)(F)F)c4)CCOCC3)C2=O)n1 439569021 JHWXXQBEOXJGGH-SFHVURJKSA-N 436.478 3.272 0 50 IGAA Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 443734322 QSHIPBRGUIUHSP-OAHLLOKOSA-N 443.974 3.202 0 50 IGAA O=C(CNC1(c2ccc(Br)cc2)CC1)NCC(=O)Nc1ccc(F)c(F)c1 477506342 FASSJGGBQUBRJW-UHFFFAOYSA-N 438.272 3.061 0 50 IGAA CCn1nc(C)c([C@@H](C)NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1C 824568746 RGZAYRXSJRILER-OAHLLOKOSA-N 442.560 3.267 0 50 IGAA C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc([C@]5(C)NC(=O)NC5=O)c4)cc3c2C1 1321334828 PBMNTBKHAHIGBO-SXBQZSJRSA-N 430.508 3.277 0 50 IGAA CCc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)[C@@H]3CCC(=O)N(CC)C3)C2)cc1Cl 2325864640 URYAPDBUZISTJD-RTBURBONSA-N 433.980 3.272 0 50 IGAA COc1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 626011 ONSLUPSVKNTZEN-QFIPXVFZSA-N 425.510 3.280 0 50 IGAA COc1ccc(-n2c(=O)[nH]c(=O)c3sc(NC(=O)Nc4cccc(Cl)c4)nc32)cc1 1070460 CZKJBLXGNOUOCV-UHFFFAOYSA-N 443.872 3.442 0 50 IGAA Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 2887344 ZCUXOEDSKHPMBO-SFHVURJKSA-N 445.585 3.482 0 50 IGAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9226927 KFQHZSHCUPUYLP-ZWKOTPCHSA-N 441.553 3.241 0 50 IGAA COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 13880767 DEGAOEHBKOMTGO-LICLKQGHSA-N 444.440 3.053 0 50 IGAA CCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)CC1 13896662 ZYACHHZGARHXCO-UHFFFAOYSA-N 430.526 3.211 0 50 IGAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(Cc1c[nH]nc1-c1ccccc1)CC2 14535097 SQLMLLSEHZTBCP-UHFFFAOYSA-N 442.523 3.452 0 50 IGAA CCN1C(=O)C[C@](CC(=O)N(C)C[C@@H]2CCCCO2)(c2cccc(C(F)(F)F)c2)C1=O 14953489 BXAOBPRRDZRVID-LAUBAEHRSA-N 440.462 3.140 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1 14998655 RXXRHSSUETZKOW-SFTDATJTSA-N 435.446 3.482 0 50 IGAA Cc1cc(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)nn1C 15066352 JURBKKWRCQKHDE-DEOSSOPVSA-N 436.600 3.229 0 50 IGAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2ccc(O)cc2)C[C@@H](C)O1 20363351 OBMQHCAYSFHCMB-IYBDPMFKSA-N 442.947 3.275 0 50 IGAA O=C(Cn1cnc(-c2ccccc2)n1)NCc1noc(-c2cccc(Br)c2)n1 225740531 KQKGLJBSKOSCAD-UHFFFAOYSA-N 439.273 3.074 0 50 IGAA Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)cs2)o1 225762169 ZIOXAWGUEPRUNK-MRXNPFEDSA-N 425.510 3.050 0 50 IGAA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(N4C(=O)[C@H]5[C@@H]6C[C@H](C=C6C)[C@H]5C4=O)c3)C(=O)[C@H]12 253591869 JKROXVDDUXEPSC-DRLCVFDCSA-N 428.488 3.090 0 50 IGAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@H](c3ccc4c(c3)n(C)c(=O)n4C)C2=C1O 888089890 NKNDFAQLIODUIV-NRFANRHFSA-N 441.491 3.218 0 50 IGAA CCOC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1 916444198 XGARMHAHUCSTTK-UHFFFAOYSA-N 434.489 3.466 0 50 IGAA O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2 778468 FALFFAMSYMQCER-UHFFFAOYSA-N 449.492 3.483 0 50 IGAA COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2 799048 PYYUTPNVRJKPSI-AWEZNQCLSA-N 430.526 3.172 0 50 IGAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCCC2)cc1 890156 TWXBSGCKPOVUFL-QFIPXVFZSA-N 428.554 3.213 0 50 IGAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 1119362 PIMCIELUKVDHPL-UHFFFAOYSA-N 432.267 3.331 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 2836267 MRGZBRXMTFDLFT-UHFFFAOYSA-N 445.932 3.138 0 50 IGAA Cn1cc(CN2CCc3nc[nH]c3[C@H]2c2cccnc2)c(-c2ccc3c(c2)OCCO3)n1 12204365 CXZDKLRNBVGAKQ-XMMPIXPASA-N 428.496 3.124 0 50 IGAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCc1ccccn1 12243136 QDVYRGPQYCKCID-UTKZUKDTSA-N 441.959 3.490 0 50 IGAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N[C@H](c1ccccn1)C(F)(F)F)C2 12508492 ITWVQXXQDLBJAN-RFAUZJTJSA-N 426.420 3.052 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 16667879 LCQDLRBIVGVMSK-DEYZUUILSA-N 430.529 3.382 0 50 IGAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1[S@]2=O 19792462 NYOJHGXUDYJBFZ-HKBQPEDESA-N 443.525 3.122 0 50 IGAA Cc1[nH]cnc1CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 20324767 VZWBCQFNAKBFIZ-UHFFFAOYSA-N 444.539 3.112 0 50 IGAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@H](C)c1nnc(-c2cccs2)o1 252444515 QRUAPNXFXDCNKD-CABCVRRESA-N 435.575 3.164 0 50 IGAA O=C([C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1)N1CCN(c2ccccc2)CC1 263619374 YLKIJQAJCBBBLM-HXUWFJFHSA-N 444.583 3.173 0 50 IGAA COCc1c(C(=O)N(C)[C@@H]2CCOC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 299797345 NLSBYYCUYPYJJR-OAHLLOKOSA-N 427.530 3.015 0 50 IGAA O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 464299545 XHAUDJXPDVDFCL-LJQANCHMSA-N 439.343 3.623 0 50 IGAA CC(C)(CCS(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1 1875301661 OMXZBBVIJAJQKS-MRXNPFEDSA-N 434.480 3.436 0 50 IGAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2ncccc12 1875321690 RHYYKNNAQBDNIQ-UHFFFAOYSA-N 425.452 3.429 0 50 IGAA COc1cc(C)cc2c(C)c([C@H](C)NC(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)oc12 1875391819 CCQGRGYBAPRGTF-YEWWUXTCSA-N 439.516 3.346 0 50 IGAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCCc1nc2ccccc2n1C 2356147674 IVTIFYRKUADVBK-UHFFFAOYSA-N 430.508 3.214 0 50 IGAA Cc1nn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1Br 2800364 FGPXSWZNOLFSKA-UHFFFAOYSA-N 437.305 3.282 0 50 IGAA C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 3872212 DWJXYEABWRJFSP-VBKZILBWSA-N 432.467 3.211 0 50 IGAA biogenic CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3F)C2=O)cc1OCC 8680372 KBHNWVHPFKKKCN-UHFFFAOYSA-N 443.519 3.220 0 50 IGAA COC(=O)c1cc(CNC(=O)c2csc(C)n2)cc(NC(=O)c2ccccc2OC)c1 12133246 YCAGMJQTNYKRNS-UHFFFAOYSA-N 439.493 3.429 0 50 IGAA C[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 12149587 JLYHMOYDUOJPLJ-FNZWTVRRSA-N 449.551 3.196 0 50 IGAA O=C(c1n[nH]c2c1CCC2)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12433315 VIEBNOUFDSPFOL-HSZRJFAPSA-N 448.611 3.399 0 50 IGAA O=C(c1nn(CCCc2ccccc2)c2c1CN(C1CCCC1)CC2)N1CCC(O)CC1 14536205 RDEQMFWRWQSABT-UHFFFAOYSA-N 436.600 3.414 0 50 IGAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3nsnc3c1)CC2 14539924 FFYXBQDXTGIUHL-UHFFFAOYSA-N 435.553 3.163 0 50 IGAA CCn1c(C(=O)OC)c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@@H](C)CC(C)(C)OC)cnc21 14740765 MQELNWXABDUIPD-LSDHHAIUSA-N 446.548 3.433 0 50 IGAA CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NC(C)(C)CO)CC1 14991699 HNMJNKWETKQXTH-UHFFFAOYSA-N 445.585 3.399 0 50 IGAA C[C@H]1CN(C(=O)c2nc3sccn3c2CNCCn2ccc3ccccc32)C[C@@H](C)O1 15078480 CYFOVSRAECEFCL-CALCHBBNSA-N 437.569 3.390 0 50 IGAA COc1ccc(CN2CCN(C3CCCCC3)CC2)cc1OC[C@@H](O)CN1CCCCC1 20455122 YXIBZJVLDVYQAS-DEOSSOPVSA-N 445.648 3.371 0 50 IGAA CCOC(=O)[C@H]1[C@H](C(=O)OCC)Sc2[nH]c(=O)sc2[C@H]1c1ccc(Cl)cc1 238899895 HFMIUQYLOXFQDO-OUCADQQQSA-N 427.931 3.438 0 50 IGAA COc1ccc([C@@H]2CCCN2C(=O)CC[C@@H]2N=C(O)N(c3ccccc3)C2=O)c(OC)c1 252507953 WYAXIEZIHGKXSC-PMACEKPBSA-N 437.496 3.477 0 50 IGAA CC[C@H](c1ccc(OC)c(OC)c1)N1C(=O)[C@](C)(c2ccc(S(C)(=O)=O)cc2)N=C1O 328594790 BPUJWOWQMKPIKK-VGSWGCGISA-N 446.525 3.230 0 50 IGAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746194365 SIXMUJYMVLYQPE-JOCHJYFZSA-N 446.551 3.423 0 50 IGAA CCCc1ccc(N2C[C@H](c3nc(CC(=O)NCc4ccc(OC)cc4)no3)CC2=O)cc1 771164278 XCGWTXQEBAWQJC-LJQANCHMSA-N 448.523 3.410 0 50 IGAA O=C(CCCc1cnn[nH]1)N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1 952894047 PFMQOMXMZRESGG-SFHVURJKSA-N 438.385 3.049 0 50 IGAA COC(=O)c1c(Cc2nc(-c3cccc(NC(=O)NC4CC4)c3)no2)[nH]c(C(C)=O)c1C 1875260255 VSXASTTWGGOBKK-UHFFFAOYSA-N 437.456 3.237 0 50 IGAA COc1ccc([C@@H](O)[C@@H]2CCCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 1875264783 UWDPSDFTIMEFDA-AZUAARDMSA-N 433.434 3.388 0 50 IGAA COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1c(-n2cnnn2)sc(C)c1C 1875340895 XYPWFLQMHFYXEA-SFHVURJKSA-N 435.509 3.008 0 50 IGAA CCn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc(I)cc1 649599 LQWNSNIVLIDGQW-UHFFFAOYSA-N 434.690 3.288 0 50 IGAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 1063822 RFQICYUJQNOTJT-KRWDZBQOSA-N 429.542 3.024 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccccc1 2696043 KVTBKWUVNSDZGS-DPWKNNTCSA-N 442.899 3.201 0 50 IGAA Cc1nnc(NC(=O)C[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1 3627403 GJWHNBNVIOQVRS-QGZVFWFLSA-N 430.555 3.280 0 50 IGAA Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)Oc1cccc(CN(C)Cc2ccoc2)c1 11909070 TXMZUUYPTLWTIS-OAHLLOKOSA-N 433.530 3.262 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC 12135174 GTKCSYLJQMKRSI-MRXNPFEDSA-N 440.573 3.060 0 50 IGAA COC(=O)CCC(=O)NC[C@H]1Cc2cc(-c3cccc(C(=O)OC)c3)cc(Cl)c2O1 12149921 AALDZFVGFIKIFC-QGZVFWFLSA-N 431.872 3.167 0 50 IGAA Cc1nc2ncccn2c1C(=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 12201249 PWMOZWZTZHSKAY-NRFANRHFSA-N 425.577 3.314 0 50 IGAA CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 12202410 DCQRWPGTKYFEBG-GKVSMKOHSA-N 442.531 3.373 0 50 IGAA CCNS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(CC[C@@H](C)c1ccccc1)C2 14991371 NOJFTYKQLZXMGR-OAHLLOKOSA-N 436.599 3.385 0 50 IGAA O=C(c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1)N1CCC[C@H]1CO 20272040 ZZVRESBJZDKPHG-IBGZPJMESA-N 429.524 3.292 0 50 IGAA COCCn1ccc2c(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cccc21 170622256 UXAPLSBTBOEQOM-UHFFFAOYSA-N 441.553 3.327 0 50 IGAA CCOC(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C(=O)O)c4ccccc43)cc2c1C 225584016 ABKPQPNDYIYLDC-MRXNPFEDSA-N 429.450 3.295 0 50 IGAA CNC(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 1506410134 SBQFZDRUXLKWLR-JOCHJYFZSA-N 447.576 3.107 0 50 IGAA CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 1875254196 ZAVRHRSDMYJEDE-QZTJIDSGSA-N 439.528 3.376 0 50 IGAA O=C(Oc1cccc2cccnc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 826777 WFQFZLRJOIXAJW-UHFFFAOYSA-N 432.885 3.128 0 50 IGAA CSCC[C@H](C(=O)OCC(=O)c1ccc(C)c(C)c1)N1C(=O)c2ccccc2C1=O 2064696 NLFFTUWVLLILGG-LJQANCHMSA-N 425.506 3.447 0 50 IGAA COc1ccc(N(Cc2ccccc2)C(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 8611933 YILZIKMESLLXTA-UHFFFAOYSA-N 431.901 3.389 0 50 IGAA CCN1CCC(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)CC1 12076497 NYMQFHJEBGCGAI-NRFANRHFSA-N 432.628 3.160 0 50 IGAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCCC3CCCC3)cc2)CC1 12092119 GNIRJLFZCKOUQF-HSZRJFAPSA-N 432.605 3.371 0 50 IGAA O=C(Cc1cnc2ncnn2c1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F 12755622 OKGLIGZTZVWJTO-QHCPKHFHSA-N 426.455 3.462 0 50 IGAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCC(CO)CC4)c(C)c23)c1 14989314 KPPRRFCTSPADJU-UHFFFAOYSA-N 426.542 3.465 0 50 IGAA COc1cc(C[C@H](C)NCc2cc(NC(C)=O)cc(C(=O)N3CCCC3)c2)ccc1O 15070379 KFIWQSCCUACVSG-INIZCTEOSA-N 425.529 3.316 0 50 IGAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1ccc2ccccc2c1 20598746 PTLNAGNWKBFGNG-RPBOFIJWSA-N 445.563 3.495 0 50 IGAA CCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(C)nn(CCOC)c2C)n1 170599564 WPTMMWFMLUKBFD-UHFFFAOYSA-N 439.925 3.213 0 50 IGAA CCOc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3ncnn3c2=O)cc1C 254517472 AFHJFKNRSGQLFP-UHFFFAOYSA-N 429.505 3.259 0 50 IGAA O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)COc1ccc(Cl)cc1)CC2 299802836 WZGLTCMJIHIJOC-HXUWFJFHSA-N 427.932 3.101 0 50 IGAA CN1CCC(c2nnc3sc(-c4ccccc4I)nn23)CC1 823765969 JGYKZMHQZARNQW-UHFFFAOYSA-N 425.299 3.267 0 50 IGAA Cc1nn(-c2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)c(=O)c2ccccc12 828248269 VNWDIOQYRDBHMV-SFHVURJKSA-N 444.535 3.215 0 50 IGAA COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3n2C)cc(OC)c1O 1848444072 HPLAORIFHXYVMG-CQSZACIVSA-N 433.468 3.264 0 50 IGAA Cc1cc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1N1CCN(C)CC1 2325749927 SNMGPEMISPAHNI-UHFFFAOYSA-N 442.470 3.138 0 50 IGAA COC(=O)[C@]1(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)CCC[C@H]2C[C@@H]21 2325827101 VECDHNJLPNURGP-RGDDPNHNSA-N 429.542 3.056 0 50 IGAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(Cl)ccc2OCCN)CC1 2356147001 DAYYQJQDRIMJJP-UHFFFAOYSA-N 430.932 3.390 0 50 IGAA COc1ccc(OC)c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 824499 MLGAYAVPEWUJKF-UHFFFAOYSA-N 432.542 3.266 0 50 IGAA Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Br)c1 1063334 OMRGDHJREPIAOF-UHFFFAOYSA-N 434.319 3.064 0 50 IGAA COc1ccccc1NC(=O)COc1c(I)cc(C=O)cc1OC 1133134 FSPJKKUKEKDOCV-UHFFFAOYSA-N 441.221 3.138 0 50 IGAA COc1ccc(CC(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)cc1OC 1214252 JXBKXKJKFDALTQ-IBGZPJMESA-N 426.366 3.273 0 50 IGAA COCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 2846859 TTZOMWIZQHRHAL-UHFFFAOYSA-N 426.542 3.449 0 50 IGAA COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC 2853886 XKYVMDDBKSRRRB-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA COC[C@H](C)NC(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C 12000033 ROAHNRRDQVCYPX-LBPRGKRZSA-N 430.530 3.394 0 50 IGAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(S(=O)(=O)c2c(C)noc2C)C1 12056187 WHAODFRNXHUIMI-FQEVSTJZSA-N 442.484 3.146 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)(c2ccccc2F)C1=O 12151318 JWOIGDYFGCTHKB-CPJLOUKISA-N 448.498 3.125 0 50 IGAA O=C(O)CCCC[C@@H]1SC[C@H](NC(=O)c2ccccc2)[C@H]1NC(=O)c1ccccc1 12375914 DOBCSAZFJKTPFM-IRFCIJBXSA-N 426.538 3.344 0 50 IGAA biogenic O=C([C@@H]1CCCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1)N1CCOCC1 12573001 HPWQLVIBMSVPPC-JOCHJYFZSA-N 446.551 3.321 0 50 IGAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 12588345 SVJBHBDOKQUMRL-UHFFFAOYSA-N 447.539 3.140 0 50 IGAA CN(Cc1ccco1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O 14882994 LFXPUFXJNRLVAE-DEOSSOPVSA-N 435.455 3.059 0 50 IGAA COc1ccc(C(=O)NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC 20191193 HUVKGQDAGJDPFH-RMKNXTFCSA-N 425.554 3.050 0 50 IGAA CC(=O)Nc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)cc1 239038767 DWUJVSJNWCYYGP-RADVJTGCSA-N 447.535 3.195 0 50 IGAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]32CO)OCCO6)OCCO1 253499974 SPRGBCQVWWNTQI-OGJKCIGUSA-N 436.589 3.095 0 50 IGAA biogenic O=C([C@H]1CC12CCN(C(=O)[C@H]1CC=CCC1)CC2)N1CCN(Cc2cccc(F)c2)CC1 299774764 HVMXONCYZADEJK-JTHBVZDNSA-N 439.575 3.455 0 50 IGAA COCCc1nc(CN2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)no1 952894459 RAHUIMUGJABJQW-SFHVURJKSA-N 441.385 3.154 0 50 IGAA O=C1NCC[C@@H]1C(=O)NC[C@@H]1c2ccccc2CCN1CCOc1cccc2ccccc12 1776003410 NQXBPQYFEQIBQZ-BJKOFHAPSA-N 443.547 3.070 0 50 IGAA Cc1nn(C)cc1NC(=O)CN1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857710592 GESXQHOVWVXOPO-JOCHJYFZSA-N 439.604 3.239 0 50 IGAA CC(C)CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCO2 2325826407 ADRRXBGWTLBUGX-INIZCTEOSA-N 438.908 3.020 0 50 IGAA COCCn1c(CN2CCCC[C@H]2COC)cnc1S(=O)(=O)C1CCCCCC1 12202641 UZOUQVOFYSVNOO-SFHVURJKSA-N 427.611 3.027 0 50 IGAA COc1ccc(Cn2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)nn2)cc1 12431884 SPBSRPMFVBHDCB-UHFFFAOYSA-N 425.920 3.259 0 50 IGAA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 100552508 LLLFTDZJUCBQCR-WWLNLUSPSA-N 433.460 3.270 0 50 IGAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 252587312 XJLVBEJGGDSBOL-NNWRFLSQSA-N 447.595 3.150 0 50 IGAA CC[C@H](C)ON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 254310637 WAIHBPBIDSIKNI-KYKQPACMSA-N 441.138 3.393 0 50 IGAA C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CCN1CC(C)(C)O 444550123 NOMCMAWEEGRTQJ-CYBMUJFWSA-N 439.343 3.493 0 50 IGAA CNc1nc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cs1 807738984 ZTOTVMZNWSIFJP-CYBMUJFWSA-N 437.363 3.490 0 50 IGAA CCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(Oc3ccc(CN)cc3F)c2)CC1 1857683700 ZKHZQJOGRONYFD-UHFFFAOYSA-N 445.491 3.436 0 50 IGAA Cc1nc(O)c2c(n1)CN(C(=O)C1CCN(c3nc4ccc(Cl)cc4o3)CC1)CC2 1857730158 KOESFHDBUFWROZ-UHFFFAOYSA-N 427.892 3.087 0 50 IGAA Cc1cc(C)c([C@@H](CO)NCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 2325828186 AFNNLGGYORQFRA-JOCHJYFZSA-N 447.982 3.372 0 50 IGAA CCCC1(C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)[C@@H](CC)OC)CC3)C2)CCC1 2332238246 IWZYMICVAQNXFJ-ZIDTZWJRSA-N 442.622 3.204 0 50 IGAA CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 1123270 OMIKZITUWGZCGR-UHFFFAOYSA-N 432.354 3.371 0 50 IGAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c4c(cccc24)CC3)c2ccccc21 1154702 RORAOUKAESQHMN-SANMLTNESA-N 429.472 3.309 0 50 IGAA O=C(O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc(C(=O)O)c1 9287825 FUKWCWVMHIICJE-UHFFFAOYSA-N 444.399 3.132 0 50 IGAA CCOC(=O)CN(C)[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 12149720 VQVQHUXXFQGLJK-SFHVURJKSA-N 439.581 3.443 0 50 IGAA CO[C@H]1[C@H](NC(=O)c2ccccn2)c2ccccc2C12CCN(C(=O)c1ccoc1)CC2 12279340 YADZXXAPOIABRL-YADHBBJMSA-N 431.492 3.348 0 50 IGAA COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cccs2)C3)c1 14531009 HVJHRLABKZBTPY-UHFFFAOYSA-N 436.537 3.092 0 50 IGAA COc1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3nccnc3c2)C1 15005343 AOSOGZWBJOYRPY-NFBKMPQASA-N 444.535 3.334 0 50 IGAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1Cl 20601565 FGNQIPOBFFQOPK-NQIIRXRSSA-N 437.918 3.114 0 50 IGAA O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2F)CC1 225502168 KTKRIHRCMZZHHT-QHCPKHFHSA-N 432.499 3.036 0 50 IGAA C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccnc3)c2)c1 468871486 GSFKZBWORBKQRT-INIZCTEOSA-N 436.491 3.472 0 50 IGAA CCN(Cc1nnc(C(C)C)o1)S(=O)(=O)c1ccc(I)cc1 490340723 XMTGVHWQMNXCMU-UHFFFAOYSA-N 435.287 3.008 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cc(C)cc(C)c2)cc1OC 817080 HOCUFXYCICSSJW-UHFFFAOYSA-N 432.542 3.138 0 50 IGAA COc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C)cc1 874121 DYYGNMSXFNJJMU-UHFFFAOYSA-N 444.513 3.247 0 50 IGAA CC[C@]1(C)Cc2nc3nc(SCC(=O)OC)n(Cc4ccccc4)c(=O)c3cc2CO1 1157326 RFWSFBKMUVSAOF-HSZRJFAPSA-N 439.537 3.346 0 50 IGAA CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 2852683 QWOOSRJJJSHVLT-UHFFFAOYSA-N 427.320 3.155 0 50 IGAA CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)c1ccc(OC)cc1 2874700 UIFDQQLDZVNWHN-UHFFFAOYSA-N 440.525 3.471 0 50 IGAA CN(c1ccc(C(=O)NCCSc2ccccn2)cc1)S(=O)(=O)c1ccccc1 6328224 XGPWHQMVKBZXCG-UHFFFAOYSA-N 427.551 3.429 0 50 IGAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c1 11817152 YSLDNOYHYKRLSZ-HNNXBMFYSA-N 427.549 3.399 0 50 IGAA CO[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C1 11881456 OJJRNBYTBUERCA-BWKNWUBXSA-N 426.557 3.291 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1)N1CCN(c2ccccn2)CC1 12385944 VXKWPFCUGHEAEB-SFHVURJKSA-N 441.963 3.111 0 50 IGAA Cc1c(C(=O)NCCc2ccccc2)sc2ncnc(NCCCN3CCCC3=O)c12 14984129 VOXACLBPNMUSTL-UHFFFAOYSA-N 437.569 3.397 0 50 IGAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 409414869 QCPCYFLQYBYLOM-JXFKEZNVSA-N 431.492 3.439 0 50 IGAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCN2C(=O)OC[C@@H]2C1 764127171 DZQLVMQQZJMJGT-UDIDDNNKSA-N 447.535 3.276 0 50 IGAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC(Oc2ccccc2)C1 1875301651 OGEMSLDTKDTTRK-SFHVURJKSA-N 435.402 3.163 0 50 IGAA Cc1cc(=N[C@H]2C[C@H]3CC[C@H]2N(C(=O)c2c[nH]c4nccc-4c2)C3)[nH]c(-c2cccnc2)n1 1875389594 UNWGVCRSYQKZOP-TYCQWZJGSA-N 439.523 3.202 0 50 IGAA C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN(CC(=O)O)C3=O 2332918079 GKCMJUSAAAXAAP-AMLQBSPYSA-N 443.540 3.340 0 50 IGAA C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 602086 UHIXWHUVLCAJQL-MPBGBICISA-N 431.830 3.069 0 50 IGAA investigational Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc12 2800164 DLXNDEYLHUZBEY-OAHLLOKOSA-N 444.484 3.280 0 50 IGAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCc2ccccc2OC)c1 11814206 WKUMMWRAUNMMSL-UHFFFAOYSA-N 426.513 3.066 0 50 IGAA COC(=O)c1ccccc1NC(=O)CCSCCC(=O)Nc1ccccc1C(=O)OC 16226235 RDZWMOJDOFNRGC-UHFFFAOYSA-N 444.509 3.350 0 50 IGAA COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1OC 19789390 ONIGSJFBMMCFCS-UHFFFAOYSA-N 439.600 3.495 0 50 IGAA CCOC(=O)CN(C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12 39405111 YQFORWISYUDUAR-UHFFFAOYSA-N 440.931 3.181 0 50 IGAA C[C@H]1CN(C(=O)c2nc3sccn3c2CNCc2ccc3ncccc3c2)C[C@@H](C)O1 39478766 LIDDYDQPWMFVNF-IYBDPMFKSA-N 435.553 3.483 0 50 IGAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 101227502 OLEKGDMNLXAXMY-BIPCEHGGSA-N 429.881 3.419 0 50 IGAA O=C(NCCc1ccccn1)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2 169759714 FMXPDLKCBBTWJY-IBGZPJMESA-N 427.302 3.285 0 50 IGAA C[C@@H](NCCNc1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 170593092 VUKWXYKFOVFMLT-CQSZACIVSA-N 426.380 3.462 0 50 IGAA COc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 239339289 LYODWEBUBQTHHF-CSCWZEDUSA-N 428.488 3.353 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4c(ccc5cccnc45)C=C[C@@H]3[C@@H]2C1=O 245309396 CPTKGFRJYIPFEW-GHDARCQNSA-N 447.535 3.072 0 50 IGAA COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2ccc(=O)oc12 1848443170 YCLWAHRUEXNAHS-QGZVFWFLSA-N 431.444 3.455 0 50 IGAA Cc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(C4(O)COC4)cc3)cc12 2325731503 BGJLBPOKSBMIML-UHFFFAOYSA-N 440.463 3.075 0 50 IGAA Cc1c(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)nnn1Cc1ccc2ncccc2c1 2325744765 ZRFDYCQNZPKNEF-OAQYLSRUSA-N 426.524 3.316 0 50 IGAA C[C@@H](NC(=O)Cc1ccc2c(n1)NCCC2)c1ccc(Br)cc1OCCCO 2325851361 XOBBCJDGKGJPKX-CQSZACIVSA-N 448.361 3.383 0 50 IGAA O=C1c2ccccc2C(=O)N1C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 1156998 ARNGBSRPBQXTBD-JOCHJYFZSA-N 432.501 3.271 0 50 IGAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)cc2OC)c1 1171914 CHSOXGKIGHADOO-FQEVSTJZSA-N 443.525 3.153 0 50 IGAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C)cc1 2875200 XJLLSLFPZAMXSP-UHFFFAOYSA-N 428.510 3.417 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 8818882 BLVSWUWCNBIIJC-YNXVQPBFSA-N 430.529 3.463 0 50 IGAA COCc1c(C(=O)NCc2cc(C)no2)c(=O)cc(C)n1CCc1cccc(Cl)c1 11788702 QKMGWYVYQGCQIV-UHFFFAOYSA-N 429.904 3.426 0 50 IGAA COc1cccc(C[C@]2(CCC(=O)NCc3cnn(Cc4ccccc4)c3)CCC(=O)N2)c1 12036020 FGQCEWRMYVHBAO-SANMLTNESA-N 446.551 3.228 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cc(C)cs3)cc(-n3cnnn3)c2)C1 14989927 MRVBSPPTKUMTHG-OAHLLOKOSA-N 425.514 3.115 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCc2c[nH]c3ccccc23)c1=O 14991918 CFKSKNKWJJFCCA-UHFFFAOYSA-N 442.519 3.100 0 50 IGAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1OC 20418669 QKFGTJRTQCIUNG-UHFFFAOYSA-N 445.475 3.008 0 50 IGAA CCN1CCN([C@H]2CCc3c(sc4ncn(Cc5ccc(F)cc5)c(=O)c34)C2)CC1 22910012 OOWTUBHYTOWPPH-SFHVURJKSA-N 426.561 3.140 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1cccc(F)c1 55089150 HHWUYJVERRKZKR-RUZDIDTESA-N 445.538 3.465 0 50 IGAA COc1cccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 95400483 FUMQPMZOKOLFGY-MRXNPFEDSA-N 449.326 3.462 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101732958 KVCGNHWBXWQDEU-DAYMJXMFSA-N 425.710 3.461 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]1[C@H]1CCCN12 249696497 SPGLMFFCGIPHHR-XUJKJYMVSA-N 435.911 3.186 0 50 IGAA CC[C@H](C)ON1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3[C@@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 254310643 WAIHBPBIDSIKNI-LANMNPPRSA-N 441.138 3.393 0 50 IGAA C[C@H](CO)N1CCCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 470086326 ICABHTJUWCOFPC-QQSVUBKYSA-N 449.595 3.082 0 50 IGAA C[C@@H](c1cccc(-c2ccc(N)cc2)c1)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1O 2325899795 XQYQHFRNPMWQPA-AWEZNQCLSA-N 425.510 3.122 0 50 IGAA Cc1c(Br)cnn1Cc1nnc(S)n1-c1cnn(Cc2ccccc2)c1 2809498 KUPXRKWIUPAGNK-UHFFFAOYSA-N 430.335 3.117 0 50 IGAA COc1ccc(CNCc2cnn(C)c2C)cc1OC[C@H](O)CN1CCCCCCC1 12298800 YCWDKYVXXWWZDQ-JOCHJYFZSA-N 430.593 3.033 0 50 IGAA CCn1cc(CNCc2ccc(OC)c(OC[C@@H](O)CN(C)Cc3ccccc3)c2)cn1 12706729 VYTYIPLEBOHWLF-QHCPKHFHSA-N 438.572 3.073 0 50 IGAA O=C1N(Cc2ccccn2)C(=O)C2(CCN(C3CCOCC3)CC2)N1CCc1ccccc1 14539536 NCOSJVONLSVAKC-UHFFFAOYSA-N 448.567 3.102 0 50 IGAA CCOc1cc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)ccc1O 15856088 OSOKWYJNMWUSRA-UHFFFAOYSA-N 441.547 3.491 0 50 IGAA Cc1nc([C@H](C)NC(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)cs1 22920433 LRHVXXHTKHZYQF-INIZCTEOSA-N 425.558 3.248 0 50 IGAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4nn(C)c5ccccc45)ccn3n2)c(C)c1 169775714 QNRPRWQOPVKXTA-UHFFFAOYSA-N 440.507 3.097 0 50 IGAA O=C(Nc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263616997 LONSTHGTFXFOBA-QHCPKHFHSA-N 432.528 3.336 0 50 IGAA CCn1cc(CN2CCOc3ccc(CN4CCCC[C@H]4C(=O)OC)cc3C2)c(C)n1 299770230 ODWHHHCKWLEIST-QFIPXVFZSA-N 426.561 3.134 0 50 IGAA O=C1NC(=O)N2CCN(C(=O)c3cc(-c4cccc5ccccc45)nc4ccccc34)C[C@H]12 759629489 XZZUTMZYPWNNQQ-HSZRJFAPSA-N 436.471 3.431 0 50 IGAA O=S(=O)(N[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 1775988510 PEMVLNFZRIYQFO-GJZGRUSLSA-N 426.395 3.319 0 50 IGAA O=C(NCCCOCc1ccco1)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1875263502 AGJHMDSOAYVCPB-OAHLLOKOSA-N 425.407 3.310 0 50 IGAA CC[C@@H](O)c1cn(Cc2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)cc2)nn1 1875316261 DWPNCERDIUFVJP-XMMPIXPASA-N 433.556 3.118 0 50 IGAA O=C([C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1)N1CCCC[C@@H]1c1nncs1 1875358263 PFHVMUCMWBAKIZ-UXHICEINSA-N 437.573 3.227 0 50 IGAA Cc1cc(F)c(S(=O)(=O)N=[S@]2(=O)CCCN(C(=O)[C@H]3CCC3(C)C)CC2)cc1F 2332238731 JNTKNAFWXPZGRI-SUMNFNSASA-N 448.557 3.098 0 50 IGAA COC(=O)c1c(NC(=S)Nc2cccc(NC(C)=O)c2)sc(C(=O)N(C)C)c1C 2855099 ACMNKZLBLWJCQJ-UHFFFAOYSA-N 434.543 3.312 0 50 IGAA O=C(Cc1ccc(N2CCC(NCCc3cn[nH]c3)CC2)cc1)NCCc1cccc(F)c1 12051191 LFDHJBBSFGYBGT-UHFFFAOYSA-N 449.574 3.251 0 50 IGAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2cccc3ccccc23)CC1)[C@H]1CCOC1 12430590 QEHKXZPTUKLXJT-FQEVSTJZSA-N 432.524 3.418 0 50 IGAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cccc(-n4nc(C)cc4C)c3)C2)CC1 20455888 XWJCSOSIORSQHH-QHCPKHFHSA-N 425.577 3.228 0 50 IGAA Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)cc1Br 239432964 XAJRWMRGRYGNSD-ATVPTECVSA-N 443.341 3.446 0 50 IGAA C[C@]1(c2ccc(CNC(=O)N3CCc4cc(-c5ccccc5)oc4C3)cc2)NC(=O)NC1=O 476047534 DZVKEZIUVJIYML-RUZDIDTESA-N 444.491 3.269 0 50 IGAA COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)cc1OC 727099 UELANWLVLVZVES-FQEVSTJZSA-N 427.526 3.452 0 50 IGAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 1065528 DOOMDPAKCRLUKA-SNVBAGLBSA-N 447.738 3.417 0 50 IGAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21 1076448 YOQNEYDMHMGKMZ-UHFFFAOYSA-N 442.562 3.077 0 50 IGAA O=C(NCc1ccco1)c1cc(C(=O)NCc2ccco2)cc(C(=O)NCc2ccco2)c1 1113805 CTXJMGMFLSIKRS-UHFFFAOYSA-N 447.447 3.256 0 50 IGAA CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)cc1 11783625 JHAJQWVRFWOSST-IBGZPJMESA-N 432.572 3.421 0 50 IGAA CC(=O)Nc1ccc(C(=O)N2CCC3(CC[C@H](CNC(=O)C4CCCCC4)O3)CC2)cc1 12202906 QYXQXZHRMBIMKG-JOCHJYFZSA-N 441.572 3.495 0 50 IGAA C[C@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(S)nc3ccccc3c2=O)cc1 12385135 PREULFKSIJNCFR-KRWDZBQOSA-N 436.581 3.338 0 50 IGAA COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 12418939 OBMWGDVLRCYLRN-UHFFFAOYSA-N 438.402 3.204 0 50 IGAA CC1=NN(C(=O)COc2cc(C(F)(F)F)nn2-c2ccc(C)cc2)[C@](O)(C(F)F)C1 13959750 KWVFXXZSRABUNA-QGZVFWFLSA-N 432.349 3.140 0 50 IGAA COc1ccc(NC(=O)CCC2CCN(C(=O)CCc3cnccn3)CC2)c(OC)c1 15063292 PEGNJVFJEWFTGU-UHFFFAOYSA-N 426.517 3.084 0 50 IGAA CCn1cc(Cn2cc(Cl)c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)n2)cn1 20607515 WFXHDGCOBRSWFZ-UHFFFAOYSA-N 441.845 3.144 0 50 IGAA Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 40286784 UPKFATFXDPAHDD-ZDUSSCGKSA-N 427.390 3.420 0 50 IGAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C)c2C)C2=C1C(=O)OC2 169758175 GIQLOJGVGYKJNE-QFIPXVFZSA-N 435.480 3.218 0 50 IGAA O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)[C@@H]1CCCN1Cc1ccccc1 222163210 FWINPFBERRVCIE-VXKWHMMOSA-N 435.524 3.369 0 50 IGAA O=C(/C=C/c1ccccc1Cl)N[C@H]1CC[C@@H](n2cc(C(=O)N3CCCC3)nn2)CC1 252448922 YCYOXXQXMCIVEH-QZJNOZQKSA-N 427.936 3.481 0 50 IGAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2cc(Cl)ncn2)CC1 261495049 XTYZVGKXTRJNCI-UHFFFAOYSA-N 435.237 3.229 0 50 IGAA Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)cc1Cl 328591628 BJOHHDPNZIVNAA-QGZVFWFLSA-N 434.924 3.142 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1nc(O)c2ccccc2n1 409413107 CNXJGIALSSQHTK-WIYYLYMNSA-N 426.561 3.008 0 50 IGAA biogenic C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)C1=O 772538786 AGHIIODSNURKDC-LHUSGLCKSA-N 439.515 3.451 0 50 IGAA CC(=O)c1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 1146051 CTPABVMQKJIZFR-UHFFFAOYSA-N 425.304 3.056 0 50 IGAA CN(C)S(=O)(=O)N1CCC(n2c([C@@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1 11911527 DEPKGRHNGIWSTJ-KRWDZBQOSA-N 446.495 3.350 0 50 IGAA O=C(NCc1cccc(Cl)c1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12190101 GZQZQOWHOXAYLD-UHFFFAOYSA-N 435.911 3.372 0 50 IGAA O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 13141502 UXZGNBRLGLRPRH-UHFFFAOYSA-N 435.354 3.006 0 50 IGAA CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cccs1)CC2 14753543 BKTVXLLDTVWEBK-UHFFFAOYSA-N 441.582 3.282 0 50 IGAA Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc(N2CCCCC2)n1 72117353 NAUZOEAHPKCCAQ-UHFFFAOYSA-N 429.952 3.156 0 50 IGAA CC[C@H](C(=O)NCCn1ccn2nc(-c3cccc(OC)c3)cc2c1=O)c1ccccc1 169777055 OPWVROBGWHZBHD-NRFANRHFSA-N 430.508 3.482 0 50 IGAA CN1CCC[C@@H](c2nnc3sc(-c4ccc(I)cc4)nn23)C1 823771426 GSTTZBUANCZTHP-LLVKDONJSA-N 425.299 3.267 0 50 IGAA Cn1nc(-c2ccccc2)c2cc(C(=O)N3CC(=O)N[C@@H](Cc4ccccc4)C3)sc21 1772711096 WGJAFWHCAYMNKH-SFHVURJKSA-N 430.533 3.485 0 50 IGAA C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C/C=C/CN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C 2325745664 OZZIYYUTXJWPKF-KTDDHIFTSA-N 448.696 3.477 0 50 IGAA COC(=O)c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2Br)cn1C 2325841456 VVJBIHOQGFNUIF-UHFFFAOYSA-N 441.225 3.394 0 50 IGAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCCC1 657318 NKJPKMQKVWXVEN-UHFFFAOYSA-N 429.380 3.395 0 50 IGAA COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 899772 KFCAYWMYUVHBAC-UHFFFAOYSA-N 440.521 3.004 0 50 IGAA biogenic,in-vitro O=C(Nc1ccccc1OC(F)F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2802867 BLYXNKKEABFEOV-CYBMUJFWSA-N 428.432 3.467 0 50 IGAA COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)COc1ccccc1 2859580 SCEICEMBRXZMDP-UHFFFAOYSA-N 425.466 3.433 0 50 IGAA CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1 8672989 VXMKMNHTUUYIDE-UHFFFAOYSA-N 432.318 3.135 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2)CC1 12373097 OIXHWJKWYUVJAK-HLAWJBBLSA-N 426.557 3.425 0 50 IGAA CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 25691762 AQGNAWPCVFCZDK-RTWAWAEBSA-N 442.512 3.078 0 50 IGAA COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@@H](O)CN1CCCCC1 55099928 HHTVQZLDKSITHT-QFIPXVFZSA-N 438.572 3.201 0 50 IGAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)C[C@H]1OCCc3ccccc31)CC2 431984293 GOUBQKOHKWKAAN-VQTJNVASSA-N 425.481 3.308 0 50 IGAA Cc1ccn(C)c(=O)c1NC(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 788007225 PCQJNIYRYYWYRZ-UHFFFAOYSA-N 425.407 3.108 0 50 IGAA O=C1CCc2cc(S(=O)(=O)N3CCC4(CCN(Cc5ccccc5)C4)CC3)ccc2N1 1324558314 LOXJXEWLBHFQLW-UHFFFAOYSA-N 439.581 3.248 0 50 IGAA Cc1ccn2cnc(C(=O)NCC[C@H]3CN(c4ncnc5n[nH]cc45)c4ccccc43)c2c1 1875288221 SPCZNQCQJXBQTH-INIZCTEOSA-N 438.495 3.364 0 50 IGAA O=C(COc1ccccc1)NC(=S)Nc1ccc(I)cc1F 1068517 DRLCWNMPMXGUCY-UHFFFAOYSA-N 430.242 3.322 0 50 IGAA COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1133222 NVSKPUPXLHDADS-UHFFFAOYSA-N 426.494 3.428 0 50 IGAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 1262662 MFOABGPONXNJHK-UHFFFAOYSA-N 440.262 3.205 0 50 IGAA COCc1c(C(=O)NCc2ccccc2OC)cnn1-c1nccc(-c2cccs2)n1 11868909 JXANIMPTTXCDQF-UHFFFAOYSA-N 435.509 3.476 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)COc1ccccc1)C2 12098652 BQTVTYGCOMBVFK-UHFFFAOYSA-N 433.483 3.423 0 50 IGAA CCN(CCO)C(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 12132105 QXLNFDGDPHAXFB-UHFFFAOYSA-N 444.557 3.126 0 50 IGAA CCN(CC)CCN(C)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC 12218938 IZESJZMFJBFVLZ-UHFFFAOYSA-N 442.589 3.259 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)CC1 12225700 MSPJEMSXVFBPOT-FQEVSTJZSA-N 432.561 3.124 0 50 IGAA C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cn2c(S)nc3ccccc3c2=O)cc1 12385134 PREULFKSIJNCFR-QGZVFWFLSA-N 436.581 3.338 0 50 IGAA Cc1cc(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n2)ccc1Cl 13960114 FSVXAOPABTXVRN-QGZVFWFLSA-N 434.777 3.302 0 50 IGAA O=C(c1cccc(F)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2cccnc2)C1 14532316 ZHAALXINDXJMGW-QFIPXVFZSA-N 425.504 3.423 0 50 IGAA CCOC(=O)[C@@H]1CCCN(C(=O)c2c(CC)n(Cc3ccccc3OC)c(C)cc2=O)C1 14955205 VOGCYVDVJXAJDB-LJQANCHMSA-N 440.540 3.191 0 50 IGAA C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)c2C(N)=O)C1 19645587 UGEVRDOPHXAYJP-AWEZNQCLSA-N 447.004 3.386 0 50 IGAA Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1 20616452 PIKWDZGCBOGUPO-UHFFFAOYSA-N 437.544 3.179 0 50 IGAA Cc1cc(C)n2nc(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)cc2n1 55383255 UVFOFVOMZGDMQT-NRFANRHFSA-N 432.572 3.081 0 50 IGAA COc1cccc(CN2CCN(C3CCN(c4ccccc4F)CC3)C[C@H]2CCO)c1 104391251 CAOHKWDKHJCSRC-JOCHJYFZSA-N 427.564 3.372 0 50 IGAA O=C(COc1cccc(-c2nnc3n2CCCC3)c1)N1CCN(c2ccc(F)cc2)CC1 169755572 RPYUEYPDKDDTFL-UHFFFAOYSA-N 435.503 3.148 0 50 IGAA CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cn1C 170619774 NPJZJMFRPQVWNW-IBGZPJMESA-N 441.557 3.033 0 50 IGAA Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cnc12 229708879 PPVSAFMZKIEPDQ-MJKGWSOKSA-N 427.545 3.358 0 50 IGAA O=C1[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(=O)[C@@]5(Cl)[C@@](Cl)([C@@]14Cl)[C@@]2(Cl)[C@]35Cl 254608122 OPKVZCAUZQWGAJ-QSGVJCQESA-N 435.732 3.013 0 50 IGAA Cc1ccc2nc(C)cc(C(=O)N3CCC4(CC3)C[C@@H]4C(=O)N(C)Cc3nonc3C)c2c1 299785413 ZPEHLKUSYURSCH-HXUWFJFHSA-N 447.539 3.444 0 50 IGAA COC(=O)[C@]1(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)CCC[C@@H]2C[C@@H]21 2325827098 VECDHNJLPNURGP-BWFKNJDFSA-N 429.542 3.056 0 50 IGAA CCc1nc(C)c(C(=O)N[C@H]2C[C@@H]3CN(C(=O)c4cn5ccnc5s4)C[C@@H]3C2)s1 2325876369 SOGQBYFSXXFRGI-WDNDVIMCSA-N 429.571 3.004 0 50 IGAA O=C(O)COc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 1132943 XNODIFHXFUSMEX-UHFFFAOYSA-N 442.383 3.119 0 50 IGAA COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CC[C@H](C)C2 1772339 XOILTBYMWVTOIB-LBPRGKRZSA-N 443.554 3.366 0 50 IGAA Cc1c(CNC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)cnn1C 2800568 QRGKMBWZOCXBIV-UHFFFAOYSA-N 438.713 3.307 0 50 IGAA CCCCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCC)ccc1-2 3138275 XGDNPVMMGCEVDG-UHFFFAOYSA-N 436.599 3.415 0 50 IGAA COc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc(OC)c1 8600896 QRLUTRSBPYHABD-LJQANCHMSA-N 446.550 3.294 0 50 IGAA Cc1cc(N2CCN(Cc3c(C(=O)N4CCCCC4)nc4sccn34)CC2)cc(C)n1 11664222 FPDPMVKGFYGHMQ-UHFFFAOYSA-N 438.601 3.356 0 50 IGAA O=C1C[C@@](CC(=O)N2CCCC[C@@H]2CO)(c2ccc(-c3ccccc3)cc2)C(=O)N1C1CC1 11784239 XKNTXCXESCGMPV-KCWPFWIISA-N 446.547 3.276 0 50 IGAA CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(Cc1ccc(COC)o1)C2 14741223 LZWBYZZRONRTSK-UHFFFAOYSA-N 438.528 3.139 0 50 IGAA CCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 14969493 DMQMPQUSDOFCLV-UHFFFAOYSA-N 442.567 3.473 0 50 IGAA Cc1cc(Br)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16193346 JVWAALMMQOOZBB-UHFFFAOYSA-N 447.329 3.209 0 50 IGAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(I)c(O)c(OC)c2)C1 16662942 UJDNIAVEGBLNDR-CQSZACIVSA-N 446.329 3.086 0 50 IGAA CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@@H]2CCCN21 251920490 AMZNLDQBZRCRRJ-JYEBCORGSA-N 429.520 3.297 0 50 IGAA O=C(N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cc2nn[nH]c2cc1F 817028074 ZRFBGPBYTJEEPL-SIKLNZKXSA-N 436.418 3.417 0 50 IGAA CC(C)c1ccc(N2C[C@@H](C(=O)NC3CCN(C(=O)N4CCCCC4)CC3)CC2=O)cc1 952967828 MIBQGTKJTWFHGX-FQEVSTJZSA-N 440.588 3.349 0 50 IGAA Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3)n2CCCc2ccccc2)n(C)c1=O 637979 ULLPCUYAVCKZPB-UHFFFAOYSA-N 448.548 3.042 0 50 IGAA COCCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1 12247608 QLOFZXCOWUVQFT-OAHLLOKOSA-N 441.915 3.120 0 50 IGAA O=C(c1nc2ccc(Cl)cn2c1CN1CCC[C@@H](CO)C1)N1CCc2ccccc2C1 12446400 HZDGNSRFXDYELZ-QGZVFWFLSA-N 438.959 3.391 0 50 IGAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)nc(OC)n1 13979336 NGOCAIWRHOFUCE-JXMROGBWSA-N 446.510 3.008 0 50 IGAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cccc3nccnc13)CC2 14732965 IKBBWOMXOZMAAJ-UHFFFAOYSA-N 447.417 3.154 0 50 IGAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(N2CCOCC2)c(Cl)c1 15919223 XYWSCCQEUTZFLM-UHFFFAOYSA-N 430.917 3.144 0 50 IGAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(OC)c1 55167906 MAZQWRNCUVXUNZ-HXUWFJFHSA-N 427.520 3.270 0 50 IGAA COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 101171556 QYWBKOWNJPKBRR-YTFSRNRJSA-N 430.460 3.448 0 50 IGAA Cc1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(OCc2ccccc2)c1 170591922 NSUBUJFNZRISNW-XXBNENTESA-N 444.553 3.432 0 50 IGAA CC(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 170597159 AQAWUMAYWALXNP-UHFFFAOYSA-N 439.331 3.242 0 50 IGAA O=C(CC[C@@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCCN2CCCC[C@@H]12 252537988 MMQQPBNERVFTQM-IHPCNDPISA-N 446.979 3.126 0 50 IGAA COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(Br)cn2)c(F)cc1Cl 328591482 JCRLHPOJVBNAIT-UHFFFAOYSA-N 437.674 3.248 0 50 IGAA O=C(NCCCOCc1ccco1)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1875263501 AGJHMDSOAYVCPB-HNNXBMFYSA-N 425.407 3.310 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(N)c3)n2CC)cc1 2849068 JIHWORPDYIRUID-UHFFFAOYSA-N 425.514 3.455 0 50 IGAA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)Cc2ccccc2)CC1 4125393 KQYHAWUDVCZOKE-UHFFFAOYSA-N 444.988 3.454 0 50 IGAA COc1ccc([C@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)cc1CSc1nc2ccccc2[nH]1 9504377 YLUDXVPATJVICU-PKOBYXMFSA-N 435.509 3.275 0 50 IGAA Cc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)C1C(C)(C)C1(C)C)C2 11966606 SUCIOSVNGKAZLZ-UHFFFAOYSA-N 447.626 3.497 0 50 IGAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCCc4ccncc4)c3C)ncc1CC2 12150676 ZEXGQMRLORVVOS-UHFFFAOYSA-N 440.507 3.112 0 50 IGAA Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1O)OCC3 12427975 ALNOUSVQTLEMJE-OAQYLSRUSA-N 437.883 3.184 0 50 IGAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2cc(C)n(C)n2)O3)n1 14990629 BEPUFHPHGFQGOQ-CQSZACIVSA-N 429.933 3.294 0 50 IGAA CCC[C@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 15068967 MFMJSAISMJCGFH-GBXCKJPGSA-N 430.593 3.375 0 50 IGAA COc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(OC)c(OC)c3)C[C@@H]2C)cc1OC 18056543 LFTQADBBWFWJDL-IYBDPMFKSA-N 442.512 3.096 0 50 IGAA Cc1nn(C)cc1S(=O)(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 19645678 ATPAWALQAYKVJD-UHFFFAOYSA-N 447.357 3.412 0 50 IGAA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N3C(=O)C=CC3=O)cc21 31392758 AYDAHOIUHVUJHQ-UHFFFAOYSA-N 427.368 3.095 0 50 IGAA in-vitro COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(C)c(C)c4)n[nH]3)CC2)c(OC)n1 169753140 YPZHMSFGHGSDNQ-UHFFFAOYSA-N 435.528 3.458 0 50 IGAA CCN(C(=O)CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)c1ccccc1 169757832 WACKUSFZHJPPPB-FQEVSTJZSA-N 425.872 3.270 0 50 IGAA Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1c(C)nn(C)c1-n1ccnc1C 170614585 WBILIOWBAJPEDW-UHFFFAOYSA-N 434.422 3.075 0 50 IGAA Cc1c(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cccc1C(F)(F)F 471135690 FOMGHRJOFRXSCQ-GFCCVEGCSA-N 442.415 3.252 0 50 IGAA O=C(c1cncc(F)c1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857707636 WWQRSRDXQDQDDX-OAQYLSRUSA-N 425.504 3.459 0 50 IGAA O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2nccs2)C1 1875261854 DPRCZVVQXZUXFH-FXAWDEMLSA-N 446.532 3.483 0 50 IGAA CC(C)(C)[C@H]1CN(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325895650 GBGFZUNAEAAHDQ-FPOVZHCZSA-N 445.519 3.238 0 50 IGAA NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1146028 BQVSIJNCWGSXJB-UHFFFAOYSA-N 443.912 3.273 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 6269190 NYRCMAGKOAATLL-UHFFFAOYSA-N 430.511 3.463 0 50 IGAA COC(=O)c1cc(CNC(=O)c2sccc2C)cc(NC(=O)c2cc(C)nn2C)c1 11996461 LZNKJWGDOJHLGG-UHFFFAOYSA-N 426.498 3.067 0 50 IGAA COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1ccccn1)CC2 12055662 KJGBEVYABAFUQI-RPWUZVMVSA-N 437.584 3.474 0 50 IGAA COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C1=O)OCO2 12447829 GROQLXHSKJEMGL-QGMBQPNBSA-N 426.450 3.407 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)sc(C)c1C 14162104 XLPUJMYZVZJEBQ-UHFFFAOYSA-N 431.558 3.311 0 50 IGAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC2(CC1)C[C@@H]2C(=O)NCCc1ccccn1 14980335 VEQKANZWEMTNNE-SIKLNZKXSA-N 435.568 3.450 0 50 IGAA Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 15069930 XGAOXAGXPYFUJL-SFHVURJKSA-N 430.574 3.237 0 50 IGAA Cc1nc(CCNC(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)sc1C 55131461 JMMGPBKAWRHVDW-UHFFFAOYSA-N 443.548 3.182 0 50 IGAA COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)cc1 239402782 RDBYOWCGEUWIQO-PCPGVINSSA-N 442.471 3.283 0 50 IGAA CCN(CC)[C@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1Cl 241775885 RPXLVACPMLQZDZ-MBOZVWFJSA-N 433.980 3.404 0 50 IGAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O)CC3 252538381 MZSGRAATKRGZPH-OAQYLSRUSA-N 432.480 3.242 0 50 IGAA CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2ccccc2Br)CC1 410307674 HPKWRRZKBXYYGJ-CYBMUJFWSA-N 432.384 3.014 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)[C@H]2CCCc3ccccc32)CC1=O 2325819400 DBRVAOPSBARPLQ-PBEJRMEISA-N 426.538 3.120 0 50 IGAA O=C(NC[C@@H]1CCCN1C(=O)[C@H](O)c1cc(F)cc(F)c1)c1cc(Cl)c(Cl)[nH]1 2325849839 BWPVFBADQMYZEA-SWLSCSKDSA-N 432.254 3.054 0 50 IGAA COCc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)o1 15066086 PBHFVFDKZZEEFC-LJQANCHMSA-N 431.552 3.481 0 50 IGAA O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCc2ccccc2C1 19860189 UCIAJQRSDHGGDS-HXUWFJFHSA-N 432.973 3.467 0 50 IGAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@@H](C)CCn3cccn3)CC2)c1 23620127 BXDJXPOXPJUELL-IBGZPJMESA-N 426.561 3.450 0 50 IGAA COc1cc(-c2cc(OC)c(OC(C)=O)c(OC)c2OC(C)=O)cc(OC)c1OC(C)=O 25693421 RZZQWMZWUWMIDM-UHFFFAOYSA-N 448.424 3.164 0 50 IGAA COC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)cc1 239203475 SKVDKPAIMJETCO-YSULJPQGSA-N 448.519 3.024 0 50 IGAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2)cc1 253497510 ZKCWDXWYHUSYGY-IQGAEYHTSA-N 426.494 3.257 0 50 IGAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1ccc(C)s1)CC2 299761116 RPPGJLJLVPORSJ-UHFFFAOYSA-N 439.537 3.037 0 50 IGAA COc1cc(C[C@@]2(CCC(=O)N(C)Cc3nc4ccccc4[nH]3)CCC(=O)N2)ccc1F 299772400 WCIBZWGYWMQXCK-DEOSSOPVSA-N 438.503 3.341 0 50 IGAA O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCC[C@H](c2nnc3n2CCCCC3)C1 460669061 CZKAHJBQUBPDHW-KRWDZBQOSA-N 449.511 3.451 0 50 IGAA Cc1cc(C)nc(-n2nc(C(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)cc2C)n1 485946707 WIYYMEPXAUZBPC-UHFFFAOYSA-N 444.539 3.029 0 50 IGAA CC(C)Cn1c(=O)nc(O)c2c(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc(C(C)C)nc21 489065171 CKGPIXYQIZJKDP-INIZCTEOSA-N 442.560 3.498 0 50 IGAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)C1 494865256 NEEBTHPVAFHDLI-AUUXHZKGSA-N 442.003 3.283 0 50 IGAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCCCc2ccccc2C1 1875305210 MOJLOVDCRFAEIL-LJQANCHMSA-N 447.626 3.147 0 50 IGAA Cc1cc(OC[C@H]2CCCO2)ccc1S(=O)(=O)NCc1ccc(-n2ccnc2)c(F)c1 2325719290 FDEPNEKFRHYZIF-LJQANCHMSA-N 445.516 3.356 0 50 IGAA COc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC 980226 OLFGMEOZSAPSDM-UHFFFAOYSA-N 433.313 3.415 0 50 IGAA CCOc1nc(NCCC2=CCCCC2)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 1078199 IWUFUAZSTATFFN-MOPGFXCFSA-N 436.560 3.358 0 50 IGAA COc1cc(OC)c(OC)cc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 4663147 GXJTZFRBYJGXIU-UHFFFAOYSA-N 425.573 3.499 0 50 IGAA CCS(=O)(=O)c1ncc(CN2CCC[C@]3(CCCN(C)C3)C2)n1CCc1ccccc1 11819257 KWOUPRATHPAWHE-DEOSSOPVSA-N 444.645 3.227 0 50 IGAA COc1ccc(-c2noc(CN3CCC[C@@H](OCc4ccccn4)C3)n2)c(OC)c1OC 12448442 BBYQQFHILQTYGL-QGZVFWFLSA-N 440.500 3.339 0 50 IGAA COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)/c(=N/c2ccc(F)c(Cl)c2)s1 13879208 PFIPZXXQTWUFKP-ATJXCDBQSA-N 448.859 3.498 0 50 IGAA COC(=O)C[C@H](NCc1cc2cc(C)ccc2nc1OCc1cccc(F)c1)C(=O)OC 20999412 MMJCWVGSOIRNBR-NRFANRHFSA-N 440.471 3.456 0 50 IGAA COc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)cc1OC 104401692 MWXUSEVBZSBWRX-JOCHJYFZSA-N 428.573 3.398 0 50 IGAA COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)C2=O)cc1 253410938 NYTKLSPMXWSDOV-PMACEKPBSA-N 432.480 3.185 0 50 IGAA biogenic O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(CN2CCCC2=O)cc1 303079907 UIMLOHLVLZBARJ-QFIPXVFZSA-N 441.959 3.266 0 50 IGAA Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)nnn1-c1ccc(OC(C)C)cc1 731328589 IYYDLXXVORXNES-HNNXBMFYSA-N 433.512 3.373 0 50 IGAA CC(C)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)C(=O)N1CCc2sccc2C1 750580468 ZMDTUSXHLXOZII-JLTOFOAXSA-N 441.553 3.291 0 50 IGAA Cc1nc[nH]c1CN(CCO)C(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 1704311410 ILSHJMNZWGCRTJ-UHFFFAOYSA-N 432.568 3.273 0 50 IGAA Cn1nnc2cc(NC(=O)c3ccc4c(=O)n(-c5ccccc5F)c(S)nc4c3)ccc21 2325776378 GAPVZLDMUMOFAS-UHFFFAOYSA-N 446.467 3.348 0 50 IGAA O=C(O)C[C@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1nccs1 2325877100 IYMRBOVODJYOBA-QFYYESIMSA-N 445.444 3.225 0 50 IGAA CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccccc1 1065266 SRRRDRKFTABVFB-UHFFFAOYSA-N 448.566 3.120 0 50 IGAA Cc1ccccc1CSCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 2813785 KQGIJDINQJSSAN-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 2887032 AVBGBODNRKPTRV-AWEZNQCLSA-N 437.949 3.271 0 50 IGAA CC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 2962470 AVQAIGIDNMSEAV-QGZVFWFLSA-N 434.558 3.431 0 50 IGAA CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 4195578 ZGZBAIADNXHZAU-QGZVFWFLSA-N 432.542 3.442 0 50 IGAA COc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 8590793 VUCDLSAZLJZVJT-SFHVURJKSA-N 428.286 3.455 0 50 IGAA CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(C3CCCCC3)C2=O)C1 11816026 ZURLONQLJNWPIB-HOYKHHGWSA-N 430.520 3.183 0 50 IGAA Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c(Cl)c1 169760389 VDMJWORSRVBDMF-UHFFFAOYSA-N 440.862 3.395 0 50 IGAA COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1OC 169867409 VQEXBNBJVOXDGF-UHFFFAOYSA-N 432.904 3.157 0 50 IGAA CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 170640821 GPABNMXLPHMXOK-OAHLLOKOSA-N 431.302 3.183 0 50 IGAA O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239347356 MTXMAXMAULKZDK-BLTUZGSGSA-N 430.479 3.429 0 50 IGAA Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc1 432568038 RTPCZBPGSBUDHU-IBGZPJMESA-N 437.565 3.414 0 50 IGAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746194366 SIXMUJYMVLYQPE-QFIPXVFZSA-N 446.551 3.423 0 50 IGAA COCc1noc(CN2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)n1 1857700274 QDZWNGXRDDWTAA-HXUWFJFHSA-N 442.560 3.205 0 50 IGAA COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(=O)O)c3ccccc32)cc1 668119 DQKFZBXGCNIGIL-OLJONYEBSA-N 425.440 3.331 0 50 IGAA CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 1065637 ULNVJNRYNQCUFO-UHFFFAOYSA-N 432.542 3.442 0 50 IGAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3ncccn3)CC1)c1nc3ccccc3nc12 1076130 LYUWWGJQYQSLNT-RPBOFIJWSA-N 428.540 3.098 0 50 IGAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@]12C(=O)N1c3c(cccc32)[C@@H](C)CC1(C)C 1460222 VYAJMYVGACWBRQ-ZJWNCGCPSA-N 434.492 3.437 0 50 IGAA biogenic O=C(CC[C@H]1CCCN(C(=O)CSc2ncccn2)C1)NCc1ccc(F)c(F)c1 11774833 UTNAVUXNCWVUPN-OAHLLOKOSA-N 434.512 3.182 0 50 IGAA COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)Cc3ccc4c(c3)OCO4)C1)CC2 12443354 ZJBMIWLHJCURJM-FQEVSTJZSA-N 438.524 3.024 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 12594143 JXUKPFATLHNUHR-MRXNPFEDSA-N 435.952 3.318 0 50 IGAA CCOc1ccc2nc(CN3CCN(C4CCN(C(C)C)CC4)[C@H](CCO)C3)ccc2c1 39371608 AFCCPWVDZCHXOL-XMMPIXPASA-N 440.632 3.375 0 50 IGAA O=C(N1CCC(C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1)n1cncn1 103287208 CLSNATLUIXZPMV-UHFFFAOYSA-N 434.452 3.248 0 50 IGAA in-vitro O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)c(Cl)c1 169752464 RHKVHYYWBBIKDA-UHFFFAOYSA-N 444.825 3.226 0 50 IGAA CCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3nc(C)no3)c3ccccc3)cc2C1=O 225441899 JNWQCNSZGSIHTL-FQEVSTJZSA-N 432.480 3.488 0 50 IGAA O=C(COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)c1)NCCO 242302156 YPXVNBOHNSRHCY-NRFANRHFSA-N 449.532 3.227 0 50 IGAA Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)co1 751315580 PCFHVHHDVHKJIA-UHFFFAOYSA-N 425.510 3.133 0 50 IGAA CCOC(=O)[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)C(C)(C)C 760913028 LUYMVRBILFCUNJ-QGZVFWFLSA-N 433.530 3.046 0 50 IGAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704338626 WKXJXVVBGMWMHJ-NQIIRXRSSA-N 428.558 3.165 0 50 IGAA O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CC(Cc2ccccc2OC(F)(F)F)C1 1875264643 KDJJAEAJYCPNFC-KRWDZBQOSA-N 435.450 3.228 0 50 IGAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1875371526 DRVABWNNLJZOFX-UYAOXDASSA-N 443.544 3.358 0 50 IGAA CC(C)N(C)C1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CCC(N(C)C(C)C)CC2)CC1 2325713247 AZZHYRDXDULWLV-DHIUTWEWSA-N 434.669 3.065 0 50 IGAA COC(=O)C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21)c1cccc(Br)c1 2325823350 OPBLBOUYUOZNSC-RDJZCZTQSA-N 449.276 3.435 0 50 IGAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)N1CCC2(CC1)OCCc1ccsc12 2356147208 MWOZDRLBOQWHPK-INIZCTEOSA-N 437.569 3.117 0 50 IGAA Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)c1 1782747 VZRPYQUEJRDNSF-SFTDATJTSA-N 447.443 3.469 0 50 IGAA CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccccc1 2504046 KFBUHBWIMHHZSG-DZGCQCFKSA-N 430.526 3.036 0 50 IGAA CC(C)(C)OC(=O)N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O 2569781 FIKNCGRWSBGBKP-SNVBAGLBSA-N 439.100 3.438 0 50 IGAA in-vitro COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 2992990 ZADHJFMTYSKRNM-UHFFFAOYSA-N 436.486 3.436 0 50 IGAA CC1CCN(C(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)CC1 11407715 JBGMDVXIOINYHJ-IBGZPJMESA-N 429.590 3.293 0 50 IGAA Cc1nc(N2CCC(N3CCc4ccccc4C3)CC2)nc2cc(S(C)(=O)=O)ccc12 11881335 HPDYPRYNXGJTQY-UHFFFAOYSA-N 436.581 3.369 0 50 IGAA COCC[C@H]1CCCCN1Cc1nc(N2CCCN(C(C)=O)CC2)c2cccc(C)c2n1 12078937 UIRSZVRYMBBOBE-OAQYLSRUSA-N 439.604 3.388 0 50 IGAA O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1ccccc1 239339132 LSZSGCWNNKJEJT-AEZRXPCCSA-N 427.456 3.284 0 50 IGAA COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCCCCC3)o1)CC2 253412372 QUFUSTZVZVGLSQ-UHFFFAOYSA-N 428.529 3.297 0 50 IGAA biogenic O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cccc(-c2ccc(O)cc2)c1 828916639 SECBYEZZTVJRGI-KLIUIWTBSA-N 439.559 3.357 0 50 IGAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cccc(OCC(N)=O)c2)cc1 1875262667 UPPNARWRYFTZCT-DEOSSOPVSA-N 432.520 3.489 0 50 IGAA CCOC(=O)[C@H](C)CNC(=O)c1cc(-c2cccnc2)nc2nc(N3CCCC3)sc12 1875263701 WWVXUBGHOKKZBN-CQSZACIVSA-N 439.541 3.283 0 50 IGAA CCNS(=O)(=O)c1cccc(CN=c2[nH]c(-c3nn(C)c4ccccc34)cs2)c1 1875316593 BUUKOPFUDNRKCV-UHFFFAOYSA-N 427.555 3.029 0 50 IGAA COc1ccc(C)cc1-n1cnc(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2)c1 2325743997 AXRIUHFUODSQEP-SFHVURJKSA-N 444.285 3.335 0 50 IGAA COC(=O)c1ccc(COn2c(=O)c(-c3cccc(Cl)c3)[n+]([O-])c3ccccc32)cc1 1127163 MCXRKBNWFUTNJW-UHFFFAOYSA-N 436.851 3.371 0 50 IGAA CCOC(=O)c1c(C)n(C[C@H](O)CNC(C)C)c2cc(Br)c(OC)cc12 1228257 PSQKGIFUJXSCLW-CYBMUJFWSA-N 427.339 3.256 0 50 IGAA Cc1nc2cc(NC(=O)C(C)C)cc(C(=O)N3CCC[C@H]3C(N)=O)c2n1Cc1ccccc1 11789977 JQJOHJKIVSHZCM-NRFANRHFSA-N 447.539 3.077 0 50 IGAA COc1ccc2[nH]c(CCN(C)C(=O)CC[C@@]3(Cc4cccs4)CCC(=O)N3)nc2c1 12246180 FZKINCJIONQBPH-HSZRJFAPSA-N 440.569 3.306 0 50 IGAA COCC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 12300007 ACNKAVYJVIIELO-HXUWFJFHSA-N 441.638 3.275 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NC2Cc3ccccc3C2)c1 12455668 DKCZKPBMLHVVCD-UHFFFAOYSA-N 434.536 3.372 0 50 IGAA COC(=O)c1cc(CNC(=O)COc2ccccc2)cc(NC(=O)c2ccccc2OC)c1 14887651 MOFLGJZYMJDKBB-UHFFFAOYSA-N 448.475 3.429 0 50 IGAA COC(=O)c1cc(CNC(=O)c2ccc3ccccc3c2)cc(NC(=O)Cn2cccn2)c1 14955914 XQGIINFEEWLWAT-UHFFFAOYSA-N 442.475 3.392 0 50 IGAA O=c1[nH]/c(=C/c2ccc(Cl)cc2Cl)c(=O)[nH]/c1=C/c1ccc(Cl)cc1Cl 16134080 CIZGDCGNHQIHDG-IAGONARPSA-N 428.102 3.334 0 50 IGAA CCCOc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 19720507 SSANOAKBGWOZCF-OKHPUOTASA-N 433.552 3.438 0 50 IGAA CC(=O)c1ccc(N2CCC(OC(=O)Cn3cc(Br)ccc3=O)CC2)cc1 170622844 UZSDOYBIKJMGCW-UHFFFAOYSA-N 433.302 3.026 0 50 IGAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 225399961 KLVYVFDODRVWND-IEBWSBKVSA-N 449.567 3.369 0 50 IGAA C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)C(=O)N1CCCC1 225610823 OVZHKRHJXKCTQC-JSJNYSNDSA-N 431.964 3.240 0 50 IGAA CCSc1nc2n(n1)[C@H](c1cn(C)nc1C)[C@@H](C(=O)Nc1ccccc1C)[C@@H](C)N2 226439839 IMXJZUHJSCUXIQ-FHLIZLRMSA-N 425.562 3.399 0 50 IGAA COc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)cc1 239174331 PTYLHMPCXAJLKJ-MAMHMVEESA-N 444.487 3.479 0 50 IGAA COc1ccc(OC)c(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)c2)c1 239309902 HXOZSKZMRXEFMR-OLHNWFDHSA-N 436.464 3.092 0 50 IGAA CC(C)C[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O)c1nnc2ccccn12 252549085 QTCZINAUBZZPOB-MSOLQXFVSA-N 434.500 3.113 0 50 IGAA COC(=O)C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccc2ccccc2c1 474825911 QAYSUECWFOJDQX-QHCPKHFHSA-N 445.519 3.328 0 50 IGAA COCCNc1nc2cc(C(=O)N[C@H]3CCCN(Cc4cccs4)C3)ccc2n1C 670472875 SIYVUVDRPRBENH-KRWDZBQOSA-N 427.574 3.088 0 50 IGAA COc1cc(CN2CCCN(C(=O)c3ccco3)CC2)ccc1OCCN1CCCC1 952989476 VUABCIWLBUJKPW-UHFFFAOYSA-N 427.545 3.111 0 50 IGAA O=C1NCC[C@H]1C(=O)NC[C@H]1c2ccccc2CCN1CCOc1cccc2ccccc12 1776003412 NQXBPQYFEQIBQZ-RPWUZVMVSA-N 443.547 3.070 0 50 IGAA O=C1CO[C@@H](Cn2ccnc2-c2cccc(F)c2)CN1CC1CCN(CC2CC2)CC1 1875247625 YNWGPYVMJHMCSA-QFIPXVFZSA-N 426.536 3.039 0 50 IGAA O=C(O)c1ccccc1CCC(=O)N1CCCC[C@@H](Cn2cc(-c3cncs3)nn2)C1 1875327124 RORMQXINTQCLGS-MRXNPFEDSA-N 439.541 3.361 0 50 IGAA O=C1C[C@H](C(=O)N[C@@H](Cc2cc(Cl)sc2Cl)C(=O)O)c2ccc(F)cc2N1 2325823927 JAHPULITQVQROG-JQWIXIFHSA-N 431.272 3.432 0 50 IGAA COc1ccccc1-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 754057 OHVKHTXTWUHPEI-UHFFFAOYSA-N 425.444 3.233 0 50 IGAA CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12C(=O)Nc1ccc(CC)cc12 1075255 KWGOFDLXIYAVKZ-RUZDIDTESA-N 444.491 3.107 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCC(C)CC1 5378886 OCHUNJUEIWGKEV-UHFFFAOYSA-N 428.620 3.145 0 50 IGAA CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(C(=O)c1ccno1)CC2 11871746 FFLXPRDRJCPCLP-YADHBBJMSA-N 449.482 3.487 0 50 IGAA C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 12024214 IWTNHUQIBCFQIG-AWEZNQCLSA-N 429.446 3.245 0 50 IGAA O=C(NCCc1nnc(SC[C@H]2CCCO2)n1-c1ccccc1F)c1ccccn1 12190052 ZGFGJESFMJCABD-OAHLLOKOSA-N 427.505 3.045 0 50 IGAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCC(c1ccccc1)c1ccccc1 12573844 OEODMARRUVIZIW-VWLOTQADSA-N 427.548 3.325 0 50 IGAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 13594284 ACLUVOXSFQDMNJ-LJQANCHMSA-N 437.540 3.186 0 50 IGAA CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCN2CCOCC2)cc1 13687304 YZRAEJKXZVXYOZ-CLCOLTQESA-N 435.568 3.419 0 50 IGAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)CCc1nc3ccccc3s1)C2 14533369 GMOFYKQHZAUOPX-UHFFFAOYSA-N 437.569 3.220 0 50 IGAA COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C[C@@H]3CC=CCC3)CC2)C1=O 14881546 ZBSRJTPZSUHZIK-NLFFAJNJSA-N 443.563 3.374 0 50 IGAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4Cl)ccn3n2)cc1 169775850 YQBKPTCOPFVRKQ-UHFFFAOYSA-N 440.862 3.394 0 50 IGAA Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc(=O)c3ccn(C)c3[nH]2)cc1 230478986 WCPTUQOMNJBIET-CALCHBBNSA-N 428.540 3.486 0 50 IGAA in-vitro COc1cccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)(C)C)c1 239331251 KIYKRKYHJQZHAT-FVJVTNMWSA-N 434.529 3.418 0 50 IGAA COc1ccc(N2C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C2=NC(=O)N3C)cc1 253471234 OFYBIZNUENRYNQ-UZLBHIALSA-N 439.468 3.074 0 50 IGAA CC(C)c1cc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)n(C)n1 952969904 BWJRMUQSPOXMLX-UHFFFAOYSA-N 430.574 3.001 0 50 IGAA CN(C)C[C@H](Nc1ncncc1C(=O)NC[C@H]1CC(C(C)(C)C)=NO1)c1ccc(F)cc1 1875355968 IKIYNRCOSKMHOA-MJGOQNOKSA-N 442.539 3.251 0 50 IGAA CCc1nc(C)c(C(=O)NC2C[C@H]3CN(C(=O)c4cn5ccnc5s4)C[C@@H]3C2)s1 2325876368 SOGQBYFSXXFRGI-STQMWFEESA-N 429.571 3.004 0 50 IGAA COc1ccc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1 982383 SYJRNPNZKCSVKM-KRWDZBQOSA-N 431.539 3.405 0 50 IGAA CCNS(=O)(=O)c1ccc(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)cc1 2852678 WIXLHPFXZYHDJR-UHFFFAOYSA-N 427.573 3.259 0 50 IGAA CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)nc1N 2886741 RHTTZLSADWHBEU-ZBFHGGJFSA-N 440.550 3.330 0 50 IGAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)c1 9361228 GOQFCCFMCBDESV-HNNXBMFYSA-N 432.567 3.105 0 50 IGAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 11843163 QXJAAGVXINRJEL-VWLOTQADSA-N 433.508 3.341 0 50 IGAA O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)N1 12278418 XCMGUMLJNZSVBZ-RUZDIDTESA-N 444.491 3.015 0 50 IGAA COc1cccc(-c2ccnc(-n3ncc(C(=O)NCCCc4ccncc4)c3C)n2)c1 14978838 OPAYQTOJQGPEPL-UHFFFAOYSA-N 428.496 3.404 0 50 IGAA CCN(CC)CC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55061066 CAOBXIRMXXWLML-HXUWFJFHSA-N 426.527 3.160 0 50 IGAA CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1Cl 149270694 FCLOIQHNUARDSR-UHFFFAOYSA-N 437.935 3.386 0 50 IGAA CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)[C@H]2CCCC[C@H]21 247962351 RCTJTKDCQITONR-OAUYIBNBSA-N 448.416 3.236 0 50 IGAA Cc1ccc(-n2nc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c3c2CCC3)c(F)c1 409829245 PCZXGNNEZUYFRZ-XMMPIXPASA-N 447.470 3.115 0 50 IGAA COc1cnc2nc(NC(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)sc2c1 1875354685 LLIUXNSOXLCFTB-JLTOFOAXSA-N 444.513 3.368 0 50 IGAA O=C(Nc1ccc(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)cc1)OCc1ccccc1 2325853805 CFNJXRXZCWBUML-RTWAWAEBSA-N 446.463 3.345 0 50 IGAA O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccccc2)CC1 715659 GZPFXYPNYDVQRJ-UHFFFAOYSA-N 427.570 3.214 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)CCc1ccco1)C2 12152940 KCIRITCYKHMVPN-UHFFFAOYSA-N 447.491 3.159 0 50 IGAA CC[C@@]1(C2CCN(Cc3ccc(O)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O 12162288 SLEZKUKRZWESJR-QHCPKHFHSA-N 442.585 3.312 0 50 IGAA Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCc2ccccc2)cc1 12461921 XNBDDGMVOSPMOX-UHFFFAOYSA-N 427.508 3.213 0 50 IGAA O=C1CCCN1CCC1CCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)CC1 12836589 VUWCQHCLPOVKMS-UHFFFAOYSA-N 431.540 3.344 0 50 IGAA CCc1cc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccnc(SC)n4)c3O2)n(C)n1 14950774 WBLHUOLCCLMHJG-HNNXBMFYSA-N 427.505 3.034 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)N(C)Cc3n[nH]c4c3CCCCC4)CCC(=O)N2)cc1 15002533 DANRQNGGYYMUCD-RUZDIDTESA-N 438.572 3.317 0 50 IGAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 22023161 WFAIFWQPUWVCRT-UHFFFAOYSA-N 433.251 3.407 0 50 IGAA CC(C)CC(=O)Nc1cccc(CNC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 195685867 DCNKMCPSKVTPGC-UHFFFAOYSA-N 440.519 3.478 0 50 IGAA O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN(c2cncc3ccccc23)CC1 225557521 PWSACQLDCGOAAP-UHFFFAOYSA-N 449.454 3.491 0 50 IGAA COCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 253392942 KKNDZKCCWGIQPC-KRWDZBQOSA-N 438.532 3.243 0 50 IGAA CCn1c(=O)nc(O)c2c(C(=O)N[C@@H](C)c3ccccc3-n3cccn3)cc(C(C)C)nc21 470768718 DENJOJIMKMKWBU-HNNXBMFYSA-N 446.511 3.317 0 50 IGAA Cc1nc2ccc(Br)cn2c1C(=O)NCC1CCN(c2ccncc2)CC1 476569510 HHYZUMVBHGLIAV-UHFFFAOYSA-N 428.334 3.447 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1=O 2325819877 SRXJLVCVHMEPBL-XJKSGUPXSA-N 438.908 3.035 0 50 IGAA COC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 816035 IBYGYGRJFQNIOM-UHFFFAOYSA-N 441.455 3.296 0 50 IGAA O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 1129240 KYXCNGNFHKLHNJ-MBSDFSHPSA-N 446.459 3.035 0 50 IGAA COc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)cc1OC 1895694 ITAMPDGOYCGGKB-UHFFFAOYSA-N 432.571 3.359 0 50 IGAA CCOc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC 2830656 HLWHNNZAUYSEOK-ITTMYVLYSA-N 444.303 3.454 0 50 IGAA CC(=O)c1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 2869264 KEKHPLIXFJRBGC-UHFFFAOYSA-N 428.554 3.137 0 50 IGAA COc1ccccc1/C=C/CN1CCC2(CC[C@@H](CNC(=O)C3CCOCC3)O2)CC1 11840073 IUERSMPPWVUPGE-LHXJMTLCSA-N 428.573 3.265 0 50 IGAA COc1cc(CN(C)CCc2cn[nH]c2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12075366 BUCIZGPABLBYMQ-JOCHJYFZSA-N 430.593 3.097 0 50 IGAA O=C1CC[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CN1CCc1ccccn1 12448977 JXEIYIBQBDUUMF-IBGZPJMESA-N 432.524 3.410 0 50 IGAA O=C(NCCc1ccccc1)[C@H]1CC12CCN(S(=O)(=O)c1ccc(F)c(F)c1)CC2 14959070 FEOHGUNQTVKCQI-GOSISDBHSA-N 434.508 3.115 0 50 IGAA CCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 14970792 SKABPDVYIFPLIC-UHFFFAOYSA-N 442.567 3.473 0 50 IGAA Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19791019 NUKROBUVJJMZBK-OAQYLSRUSA-N 426.557 3.405 0 50 IGAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 225431643 ZWCOJAOWIGNWBE-KRWDZBQOSA-N 431.489 3.273 0 50 IGAA O=C(CCCn1nnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253412994 SRRCXMZSDWIWAB-QHCPKHFHSA-N 438.491 3.354 0 50 IGAA CCOC(=O)c1cnn2ccc(NC(=O)COc3ccccc3OCC(F)(F)F)cc12 1439648253 IAGHVIXYVVDEPI-UHFFFAOYSA-N 437.374 3.470 0 50 IGAA FC(F)(F)COc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1 1097324 HVGHOMQJOFPZHL-UHFFFAOYSA-N 439.316 3.292 0 50 IGAA O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 6172728 PBZLJFWPKGOVAL-UHFFFAOYSA-N 425.393 3.157 0 50 IGAA COc1cc(OC)cc(C(=O)N2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 8683576 SKPLJHUXOHMHSH-UHFFFAOYSA-N 439.556 3.139 0 50 IGAA CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 9169559 PNYAAKDMDIVAFC-UHFFFAOYSA-N 429.523 3.381 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccccc1Cl 9339675 OIQCDVGCXKYFCW-QIPHDZALSA-N 428.897 3.045 0 50 IGAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1=O 12183799 GMXGFIMNNUKKBJ-IBGZPJMESA-N 444.620 3.297 0 50 IGAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccc3c(c1)OCO3)CC2 14748476 WGUQXARZDJJBFK-LJQANCHMSA-N 432.524 3.068 0 50 IGAA COc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)cc1 14975822 ACJLUHZXIUWMAL-UHFFFAOYSA-N 433.508 3.298 0 50 IGAA COc1cc(C)c(CN2CC[C@H]3[C@H](CCC(=O)N3CCCN3CCCC3=O)C2)cc1C 14985930 DOLXOZRAKGAHNJ-IRLDBZIGSA-N 427.589 3.137 0 50 IGAA COc1ccc(OC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 17861772 KYJRBWLBVIXTLG-XIGIHCPSSA-N 439.467 3.493 0 50 IGAA Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 65362209 IKRDXQBBCIUVAI-UHFFFAOYSA-N 428.432 3.287 0 50 IGAA O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cnc(-c2ncccn2)s1 170624866 XYIDXFDJEOMXMP-GFCCVEGCSA-N 430.331 3.371 0 50 IGAA CC[C@H](C(=O)Nc1ccc(F)cc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 245236978 AGVMIZOHBKOURH-DNVCBOLYSA-N 426.492 3.239 0 50 IGAA Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(O)cc1Cl 328591627 BJOHHDPNZIVNAA-KRWDZBQOSA-N 434.924 3.142 0 50 IGAA COC(=O)c1nc(NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)sc1C1CC1 429482851 IPVGJBQTIGSZIP-MRXNPFEDSA-N 444.488 3.113 0 50 IGAA C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cc(F)ccc1N1CCC(O)CC1 748064718 GOLSLOGQSHHGGA-DJJJIMSYSA-N 429.467 3.229 0 50 IGAA CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 1875254197 ZAVRHRSDMYJEDE-ROUUACIJSA-N 439.528 3.376 0 50 IGAA O=c1c(-c2nc(-c3nc[nH]n3)nn2[C@H]2CCCc3ccccc32)cccn1[C@@H]1CCSC1 1875340466 CRWFYSHHLHISQO-APWZRJJASA-N 445.552 3.496 0 50 IGAA Cc1cccc(CN2CCC(NC(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)c1 2325828404 GFVPCKSSYKWUTC-AFARHQOCSA-N 441.597 3.264 0 50 IGAA COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1[C@H](C(=O)OC)CC2 943846 JEQCKODELJMBCE-BCRSCGJKSA-N 445.493 3.407 0 50 IGAA OCCNC[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 2070797 OXGQUYAYFRUDHS-CYBMUJFWSA-N 442.151 3.262 0 50 IGAA COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c(OC)c1 9117066 KDZKVCSCSRNFFW-AWEZNQCLSA-N 430.526 3.217 0 50 IGAA Cc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1C 9530160 QZEGUAMHTOCGMS-UHFFFAOYSA-N 429.498 3.168 0 50 IGAA O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3cccc4nccnc34)CC2)N1 11965572 YFGYGYXWPVTANT-AREMUKBSSA-N 443.551 3.443 0 50 IGAA COc1cc(CN(C(=O)C(C)C)[C@H]2CCCCNC2=O)ccc1OCCc1ccccn1 12190459 ZTIMVEXWDQVAOQ-NRFANRHFSA-N 439.556 3.365 0 50 IGAA O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)nn1 14975320 IAJHKDBOGYGDTQ-IBGZPJMESA-N 434.544 3.056 0 50 IGAA CO[C@H](c1ccc2c(c1)CN(C(=O)C[C@H]1SC(=O)NC1=O)CCO2)C1CCCCC1 14995394 UQFYTKWJSGXSHF-QUCCMNQESA-N 432.542 3.417 0 50 IGAA O=S1(=O)CC[C@@H](CNCc2cc3cc4c(cc3nc2OCc2cccnc2)CCC4)C1 15002870 GOYHXQLREPLUNS-SFHVURJKSA-N 437.565 3.222 0 50 IGAA Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc4cccnc4c2)CC3)cc1 20207082 ZPWNDMDDIFCBPN-UHFFFAOYSA-N 440.551 3.166 0 50 IGAA CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101791818 VWPLRSZVLKGYMI-ZFNNOLHJSA-N 430.504 3.470 0 50 IGAA CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)C1 170600805 JQXMNVGJFYUWNI-ZRGWGRIASA-N 439.503 3.092 0 50 IGAA O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCC2 239038877 FCMMJIAODKQJRQ-DTDBQYNISA-N 432.542 3.116 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)[nH]n1 409413058 ARKMUCMONBPIJB-GCJKJVERSA-N 426.561 3.438 0 50 IGAA COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 920874415 LUSUNBYYFITGRB-UHFFFAOYSA-N 439.415 3.327 0 50 IGAA NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1F 1875258487 TXQCACWEIWKWBN-OAHLLOKOSA-N 430.423 3.405 0 50 IGAA CCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2nsc3ccccc23)CC1 1875343551 MUSDVDSVDVUYPR-UHFFFAOYSA-N 430.555 3.020 0 50 IGAA COc1ccc(CCNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC 951146 PFMYZEZRMRNODU-UHFFFAOYSA-N 430.460 3.477 0 50 IGAA O=c1nc2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2nc1-c1ccccc1 1827727 QNHORXBHSDFEEB-QNGOZBTKSA-N 439.496 3.305 0 50 IGAA Cc1cccnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12314335 RIWKUZHBPVFITM-XMMPIXPASA-N 428.536 3.064 0 50 IGAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12718690 RFQIURCHCOJMQO-QGZVFWFLSA-N 433.915 3.126 0 50 IGAA Cc1ccn(CCC(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)n1 14534100 KDQZBMUQPMSKCE-QHCPKHFHSA-N 438.572 3.171 0 50 IGAA Cc1nn(C)c(C)c1CNC(=O)c1cn(C(C)C)cc(C(=O)NCC2CCCCC2)c1=O 14963930 FUKPYTNUBLZKMP-UHFFFAOYSA-N 441.576 3.020 0 50 IGAA CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 15943696 KUHFUPCPRNAHTH-UHFFFAOYSA-N 428.601 3.314 0 50 IGAA COc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)c(OC)c1C 43040512 SJYAFGHDROKPEX-UHFFFAOYSA-N 429.605 3.311 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)cc1 59308188 WTGLYITXMIPIIT-NRFANRHFSA-N 431.939 3.391 0 50 IGAA COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O 169758061 YGAQQVWRNSWLGH-HXUWFJFHSA-N 441.871 3.173 0 50 IGAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 239165169 NPGAHEBVAVBTOL-OMGOSVEPSA-N 448.302 3.163 0 50 IGAA Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NC[C@H]3N(C)CCCC3(C)C)cs2)c1 468484311 RKWHHORDFIGBML-GOSISDBHSA-N 430.574 3.189 0 50 IGAA Cc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 952962400 BHCLYAAXENFINL-QGZVFWFLSA-N 428.554 3.128 0 50 IGAA C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc([C@@]5(C)NC(=O)NC5=O)c4)cc3c2C1 1321334826 PBMNTBKHAHIGBO-HWRSSNJWSA-N 430.508 3.277 0 50 IGAA CCc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1 1875262713 SYSUESQVYPXDOO-GOSISDBHSA-N 429.586 3.098 0 50 IGAA COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 625948 DKCQYVXOGBSUNP-OAQYLSRUSA-N 428.444 3.319 0 50 IGAA CCOc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 652236 BTIASEKRHOECPI-UHFFFAOYSA-N 427.320 3.253 0 50 IGAA CCOc1ccc(-c2nc3s/c(=C\c4cc(C)c(OC(C)=O)c(C)c4)c(=O)n3n2)cc1 1130734 YAAZZGSKGGSVKS-UNOMPAQXSA-N 435.505 3.307 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccccc1 2696045 KVTBKWUVNSDZGS-XGHXRCDJSA-N 442.899 3.201 0 50 IGAA COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1Cn1nc(C)c(Br)c1C 8955465 KMIJZKKRDNQFTK-CJNGLKHVSA-N 426.336 3.108 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)Cc3ccccc3C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11910618 LEJBZVHQXBKIRJ-BWKNWUBXSA-N 441.572 3.046 0 50 IGAA COCCc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)cn1 11936621 XFMNDMZUMOXQHJ-FQEVSTJZSA-N 434.544 3.010 0 50 IGAA CC[C@@H](NS(=O)(=O)c1ccc(OC)c(-n2cnnn2)c1)c1cc(Cl)ccc1Cl 12418858 GSEYYEAQSPKDOH-OAHLLOKOSA-N 442.328 3.407 0 50 IGAA O=C1CN(Cc2c[nH]nc2-c2ccccc2)C[C@@H](OCC2CC2)CN1Cc1cccnc1 14530403 PERAJMXILKXUPP-HSZRJFAPSA-N 431.540 3.111 0 50 IGAA CC(C)(C)OC(=O)NCCOc1cc(OCCNC(=O)OC(C)(C)C)cc(C(=O)O)c1 14632605 HOQVHRMJXLYZNT-UHFFFAOYSA-N 440.493 3.192 0 50 IGAA in-vitro O=C1NC(=O)C2(CCC(C(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)CC2)N1 110678800 SBYBKYKGDOSFCM-QEZBQWPVSA-N 429.520 3.168 0 50 IGAA Cc1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)c1C 169758060 MFTLCDRRFDUZTH-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA NC(=O)[C@@H](c1ccc(Br)cc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1 170638462 WXOACIBVXGLFJJ-CYBMUJFWSA-N 444.186 3.335 0 50 IGAA CC(C)c1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 238950446 YAKIRSNUXXPXIR-NNPSNHGLSA-N 436.537 3.018 0 50 IGAA CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1NCc1cccc(-c2nnc[nH]2)c1 252511388 GHCKXYCOYPZDMC-VAMGGRTRSA-N 427.549 3.366 0 50 IGAA CC(=O)Nc1nc(C(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cs1 486132126 HNSJRNAJLQWZOC-UHFFFAOYSA-N 430.578 3.489 0 50 IGAA O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cc2c(cn1)OCCC2 1320264717 JUWFLNFEDIVAFO-UHFFFAOYSA-N 444.538 3.053 0 50 IGAA COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3n2C)cc(OC)c1O 1848444071 HPLAORIFHXYVMG-AWEZNQCLSA-N 433.468 3.264 0 50 IGAA COc1ccc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c(OC2CCCCC2)c1 1875256910 XKZQGBVZOSFFNT-LJQANCHMSA-N 430.467 3.400 0 50 IGAA O=C(c1ccncc1)N1CCC(C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1 2356142577 YIUZSFAEKCRNDY-UHFFFAOYSA-N 425.554 3.086 0 50 IGAA Cn1c(C(=O)NCc2ccc(F)cc2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 8611822 MIJIIXDDQISJSO-UHFFFAOYSA-N 429.517 3.422 0 50 IGAA CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N1c3c(cc(C)cc32)[C@@H](C)CC1(C)C 9350809 MFQSZDNBKNFRTN-FNODVLLQSA-N 436.512 3.071 0 50 IGAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1scnc1C 12052765 BLESUSYLKFTIKT-NRFANRHFSA-N 436.666 3.055 0 50 IGAA O=C(Cc1ccccc1Cl)NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 14879110 RJWMDAUVRQWOQN-IBGZPJMESA-N 427.932 3.248 0 50 IGAA COc1cccc(CCNC(=O)c2cn(C(C)C)cc(C(=O)N3CCC(C)CC3)c2=O)c1 14956749 BQCCFCVCRKPDTR-UHFFFAOYSA-N 439.556 3.282 0 50 IGAA COC(=O)[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 55168936 BXXRUPBIULXTSD-FQEVSTJZSA-N 433.574 3.041 0 50 IGAA COc1cc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(OC)c1OC 169772460 JHGQSCDTASABHR-UHFFFAOYSA-N 440.422 3.376 0 50 IGAA CCOC(=O)CC[C@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 170620155 QIXQOYVIDWYVFY-XMMPIXPASA-N 430.464 3.109 0 50 IGAA COc1ccccc1N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1 239235757 WQAJJRTUERZDQE-BVPHUKPHSA-N 428.488 3.353 0 50 IGAA O=C(c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccccc2F)CC1 263615875 FRCSKEMUAHRGIJ-FQEVSTJZSA-N 441.894 3.305 0 50 IGAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 472007240 CSWOFNBFLCFAJR-FUHWJXTLSA-N 448.292 3.314 0 50 IGAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1)OCc1ccccc1 752249744 FLMAVBIDLAIESO-PKTZIBPZSA-N 447.539 3.054 0 50 IGAA Cc1cc(=NC[C@H]2C[C@@H](C)N(C(=O)C3CCC4(CC3)CC(O)C4)C2)[nH]c(C(C)(C)C)n1 1875338277 RHTSWFQEJIINJM-HNNFKZRISA-N 428.621 3.485 0 50 IGAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 1057282 IZVGVKDFRVHDTP-QGZVFWFLSA-N 425.876 3.082 0 50 IGAA CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 2290042 UESKFWOHTBDEOY-UHFFFAOYSA-N 427.408 3.188 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1c(F)c(F)c(F)c(F)c1F 2773090 DBYBBLBLGCWWQG-UHFFFAOYSA-N 444.341 3.225 0 50 IGAA COc1ccc(CNCC2CCOCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12050644 YSHOBFJJOJRYNS-QHCPKHFHSA-N 428.573 3.083 0 50 IGAA Cn1c(CCNC(=O)[C@@H]2CC23CCN(Cc2ccc4c(c2)CCO4)CC3)nc2ccccc21 12151408 ROERBRLGWDKMJM-NRFANRHFSA-N 444.579 3.469 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C)C1 14986460 HOXGGQCBXKOAPO-GOSISDBHSA-N 434.544 3.203 0 50 IGAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1cccs1 16699925 KANDDLHGGQZHTR-IUYQLWOBSA-N 430.938 3.123 0 50 IGAA CCCO[C@H]1CCCN(Cc2cnc(S(=O)(=O)C3CCCC3)n2CCCOC)C1 55245529 DJKCLWJMIMJKMP-IBGZPJMESA-N 427.611 3.027 0 50 IGAA Cc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc(-n2ccnc2)n1 65362307 DFWDBEHMZWCBIJ-UHFFFAOYSA-N 438.535 3.451 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)CC2)cc1 247901520 FUJPUWGQPGSJGW-QAGBHRCTSA-N 432.586 3.037 0 50 IGAA Cc1ncsc1CN1C[C@H]2CN(Cc3nc(-c4cccs4)oc3C)C[C@@]2(CO)C1 1772804256 KPBLOSZATOXVMW-IERDGZPVSA-N 430.599 3.403 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)nn1-c1ccccc1Br 1775988728 DFDTYOCQHZYDHC-TWOQFEAHSA-N 447.377 3.302 0 50 IGAA O=C(OCCN1CCc2ccccc21)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2ccccc2c1 2325745668 RBDHXYZPYWGTFL-UPVQGACJSA-N 430.504 3.021 0 50 IGAA CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2Br)n1 1017590 CXNSVSMYHQZWIC-UHFFFAOYSA-N 428.333 3.138 0 50 IGAA aggregator Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC[C@H]1CCCO1 1113841 FFUPEBAGSCAYGA-QGZVFWFLSA-N 437.525 3.019 0 50 IGAA Cc1ccccc1OCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 1138852 ZVINBJPULIIWQX-UHFFFAOYSA-N 437.569 3.143 0 50 IGAA CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 8601865 JSYILKUALDLNQC-NRFANRHFSA-N 449.550 3.480 0 50 IGAA CSCCCN1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 12152560 HKZRWUICYOCAGW-HNNXBMFYSA-N 430.599 3.375 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccccc1Cl 14965328 SIIOSSDAYNBBRY-GOSISDBHSA-N 439.865 3.366 0 50 IGAA CC(C)CNC(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 14975114 WTBYUAAULGQTCO-LJQANCHMSA-N 431.577 3.256 0 50 IGAA COc1cc(CN(Cc2cccnc2)C(=O)c2cc(C)nn2C)ccc1O[C@H]1CCOC1 14978755 NYEMALZNLHYWTH-FQEVSTJZSA-N 436.512 3.142 0 50 IGAA COC[C@@H](C)NC(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C 14994269 BLOGPOFZTYBIED-CYBMUJFWSA-N 444.557 3.436 0 50 IGAA O=C(CCC(=O)c1ccccc1)Nc1cnn(CC(=O)N2CCC(c3ccncc3)CC2)c1 14997397 AIZZYUPCDCMXOT-UHFFFAOYSA-N 445.523 3.286 0 50 IGAA CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O 16193480 ONJZRZWGLSBHMW-LFIBNONCSA-N 445.269 3.488 0 50 IGAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cc1OC 16475209 SYSUWMCLSAQEAN-CYBMUJFWSA-N 440.468 3.021 0 50 IGAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C 39455389 MKYKFCRCTSTVGC-OAQYLSRUSA-N 435.480 3.306 0 50 IGAA CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)OCc1noc(C2CCCCC2)n1 169755085 YFRFMPIOVULRJG-UHFFFAOYSA-N 444.513 3.266 0 50 IGAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4)ccn3n2)cc1 169775902 BGVZNXVULVTUFT-UHFFFAOYSA-N 432.480 3.000 0 50 IGAA CCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(C)ccc(Br)c1C(=O)O 170596545 FKIAGKOKPPRNNU-UHFFFAOYSA-N 430.324 3.115 0 50 IGAA C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 242273556 YDSBGJOVIVWEAV-DJPFJPOOSA-N 447.373 3.216 0 50 IGAA CC(C)[C@H](NC(=O)CN(C)C[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCCO2 248171460 SGBVIXAQHBRRSI-DFBJGRDBSA-N 440.540 3.433 0 50 IGAA Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN21 248339932 UFUMDZQDAJGBOA-LYXWCMDISA-N 435.911 3.388 0 50 IGAA COc1ccc(F)c(C[C@@]2(CCC(=O)NCCc3nc4ccccc4[nH]3)CCC(=O)N2)c1 299761450 LUWZCZJFCBKSHB-XMMPIXPASA-N 438.503 3.041 0 50 IGAA C[C@@H](NC(=O)NCCNc1ccc(-c2ccccc2)nn1)c1nc(-c2cccc(F)c2)no1 443496507 DSIXYKSFEOVILX-OAHLLOKOSA-N 447.474 3.805 0 50 IGAA Cn1ccc([C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c2ccccc2)n1 1875362889 XVZMORAGTNNZSR-SFHVURJKSA-N 425.432 3.429 0 50 IGAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cc(=O)cc(C)[nH]4)C3)[C@@H]3CCCCN23)c1 2356136244 MBUKICDUZLXBAY-PXTBKIQTSA-N 435.568 3.250 0 50 IGAA COc1cc2c(cc1OC)C1(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC1)OCC2 2356147248 NZFLEFMYEPMXKV-UHFFFAOYSA-N 431.554 3.171 0 50 IGAA O=C(COc1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 2694946 YLIJOEIINOYCEV-UHFFFAOYSA-N 431.539 3.488 0 50 IGAA O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 2721817 ZXOCZDUPKFCCOV-AWEZNQCLSA-N 448.522 3.155 0 50 IGAA CCOC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1NC(=O)c1ccccc1 2836712 OZIOHHBIQYDSED-UHFFFAOYSA-N 437.452 3.487 0 50 IGAA COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 18142173 DQIPSSAHATXZIR-LJQANCHMSA-N 433.430 3.168 0 50 IGAA COCc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(F)cc1 40397170 YIXTYCOGEWUOJI-UHFFFAOYSA-N 443.438 3.381 0 50 IGAA CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1 73069252 NFTMKHWBOINJGM-UHFFFAOYSA-N 448.556 3.434 0 50 IGAA investigational Cn1ccnc1-c1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)[nH]n1 170616969 UKLYHRHTBYYWHJ-UHFFFAOYSA-N 435.410 3.310 0 50 IGAA O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 252509420 YNQYCDAEWSILGE-HXUWFJFHSA-N 427.443 3.392 0 50 IGAA COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)cc1O 253470892 HRHKERAAAJKEFS-OAHLLOKOSA-N 439.420 3.257 0 50 IGAA NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1 1875257190 MKRVOZXMWBKRFW-GOSISDBHSA-N 435.427 3.267 0 50 IGAA O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cc(F)cc2nn[nH]c12 2325699996 ZAOKRDGBEHHHSX-UHFFFAOYSA-N 429.408 3.289 0 50 IGAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 656218 CKFRFAISHCAGMI-UHFFFAOYSA-N 437.275 3.194 0 50 IGAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 906357 GPHLAGJTUFOROM-GOSISDBHSA-N 426.450 3.322 0 50 IGAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3F)C2)c1 1053113 AJKARBNOTBAECJ-IBGZPJMESA-N 447.488 3.130 0 50 IGAA O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc2c(c1)OCCO2 10059508 ZWSUTPZRIBGTLE-UHFFFAOYSA-N 433.464 3.266 0 50 IGAA Cc1c(CCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c2ccccc2n1-c1ccccc1 11821259 DWZYVPDIELQUBF-XMMPIXPASA-N 432.568 3.197 0 50 IGAA CN1CCC(NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 12279140 BMKWERZXZGQBDL-UHFFFAOYSA-N 428.540 3.129 0 50 IGAA O=C(NC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1)c1ccc(-c2ccccc2)cc1 12297727 ASPASVJXJHISQN-FQEVSTJZSA-N 431.540 3.394 0 50 IGAA CCn1cnc2cc(NS(=O)(=O)c3ccc(OC)c(C(F)(F)F)c3)ccc2c1=O 12413868 FFKWACJBLRZPAJ-UHFFFAOYSA-N 427.404 3.245 0 50 IGAA Cc1ccn(CC(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)n1 12443193 CYVNMQWEHWGYPX-RUZDIDTESA-N 436.600 3.079 0 50 IGAA O=C(c1ccco1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 14978403 SCEVFPJPAPUHBZ-HXUWFJFHSA-N 425.504 3.005 0 50 IGAA COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1CCCc1ccccc1 14992620 ZUEWIAKPNKHOFW-QUCCMNQESA-N 440.935 3.222 0 50 IGAA CC(C)(C)OC(=O)N[C@H](C[C@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 87493296 LOORPDPTUOMYOZ-VQTJNVASSA-N 440.496 3.037 0 50 IGAA O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 101192530 KMVQWJNMUDCRIJ-KODHJQJWSA-N 440.908 3.449 0 50 IGAA CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccc3[nH]cnc3c2)c(C)o1 299784872 IAPUQNUQZXTHKH-UHFFFAOYSA-N 439.497 3.218 0 50 IGAA CCc1cccc(CC)c1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819781 PWJCCLMPAPGYLR-JXFKEZNVSA-N 428.554 3.226 0 50 IGAA CC(C)(C)c1nocc1CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 2325825587 WBXSNJUDSPUMGD-UHFFFAOYSA-N 442.335 3.098 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cccs1 845804 FEUMTVRXTVLWGC-OLROSQPISA-N 449.557 3.341 0 50 IGAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)NCCc1ccc(OC)c(OC)c1 1121168 PDRJDYKTAGTEHR-UHFFFAOYSA-N 434.514 3.037 0 50 IGAA O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(c2ccccc2)CC1 8640184 RDVMQHDOVWDSDA-UHFFFAOYSA-N 440.594 3.304 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)c3ccccc3OC)CC2)NC(=O)N(Cc2ccco2)C1=O 11788479 HNLMAMYXLJXBDY-DEOSSOPVSA-N 439.512 3.431 0 50 IGAA COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c(C)c1C 12022505 JGFRGZBXKXOSDJ-NRFANRHFSA-N 440.588 3.298 0 50 IGAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NC2C3CC4CC(C3)CC2C4)CC1 12092528 DCVJDNMJLRLDJY-UHFFFAOYSA-N 426.557 3.257 0 50 IGAA COCCNC(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1 12247609 QLOFZXCOWUVQFT-HNNXBMFYSA-N 441.915 3.120 0 50 IGAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccc(F)c(F)c2)C4)cn1 14975104 IRCGEZZXEYKKHM-HNNXBMFYSA-N 441.507 3.165 0 50 IGAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2OC)CN1Cc1cccc(Cl)c1 23339665 XIDIRVOGBPCQTA-UXHICEINSA-N 431.964 3.144 0 50 IGAA NC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 100721953 ALNWINSKWPOMMG-ZDUSSCGKSA-N 425.659 3.090 0 50 IGAA O=C(CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)NCc1ccccc1F 170601546 FHQSXVZRWITDBQ-UHFFFAOYSA-N 426.410 3.324 0 50 IGAA COCc1nnc(NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)s1 263587117 CHXNWIPSWNNBCO-HNNXBMFYSA-N 445.545 3.251 0 50 IGAA C[C@]1(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)Cc2ccccc2C(=O)O1 728498511 NIMXBEGYCUMZOD-XMMPIXPASA-N 429.480 3.433 0 50 IGAA CCOc1cc(CN(C)CC2CCN(CCOC)CC2)ccc1OCCn1ccnc1 952989658 UBCVJIHHTPCQHJ-UHFFFAOYSA-N 430.593 3.151 0 50 IGAA COc1ccc2c(c1)CCOC21CCN(C(=O)C2CCN(C(=O)C3CCC3)CC2)CC1 1704297135 IJZNSWBNRMJYMP-UHFFFAOYSA-N 426.557 3.124 0 50 IGAA COC(=O)N1CCc2nn(Cc3coc(-c4cccc(C(F)(F)F)c4)n3)c(=O)cc2C1 1875252622 XDPKDOQIYMWJEO-UHFFFAOYSA-N 434.374 3.090 0 50 IGAA Cc1ccc(-c2cn(CCCC(=O)N3CCC[C@@]4(CC(=O)O)CCCC[C@H]34)nn2)nc1 1875354068 PUWOYFMMJLIRTF-NZQKXSOJSA-N 425.533 3.455 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2cccc(N3CCNC3=O)c2)(c2ccccc2)CC1 1875370588 UXCBGDACKOVFOU-LJQANCHMSA-N 446.551 3.140 0 50 IGAA Cc1ccc(CCC(=O)N2CC[C@H](N(C)C(=O)c3cc(C4CCOCC4)[nH]n3)C2)c(C)c1 2325828912 VGKJJXUYNNAXSE-NRFANRHFSA-N 438.572 3.226 0 50 IGAA CCO[C@H](C(=O)N1CCC[S@@](=O)(=NC(=O)[C@H](CC)OC2CCCCC2)CC1)C1CC1 2332238267 JUIUCRVKYGHIDA-PBWJEYPYSA-N 442.622 3.156 0 50 IGAA O=C(NCCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 784122 FVAYJWHUHWFVPF-QFIPXVFZSA-N 426.513 3.491 0 50 IGAA CN1C(=O)C[C@](CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)(c2ccccc2F)C1=O 12080030 HADOEJPWCQRFFA-VWLOTQADSA-N 448.498 3.125 0 50 IGAA CC[C@H](C)CC(=O)N1CCC([C@]2(CC)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 12213832 ZKYAODPCQOLDRS-FYSMJZIKSA-N 443.544 3.291 0 50 IGAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCSCC3)cnc2n1C[C@H]1CCCO1 14532842 IPVDIRVXONEPFF-MRXNPFEDSA-N 432.546 3.268 0 50 IGAA Cn1c(CCNC(=O)Cc2ccc3c(c2)OCO3)nnc1SCc1cccc(Cl)c1 14888688 FKQLOUHELHSQJV-UHFFFAOYSA-N 444.944 3.391 0 50 IGAA Cc1c(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)nnn1-c1ccc2c(c1)OCCO2 225410061 SSGCLBUMGGUBRT-OAHLLOKOSA-N 449.294 3.117 0 50 IGAA O=C1NC(=O)[C@@H]2[C@@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@H]2c1c[nH]c2ccccc12 238900255 IGFATNASWLSOTD-BZSNNMDCSA-N 447.541 3.318 0 50 IGAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 409414557 MLYNEDMKHUBXSI-QZNHQXDQSA-N 427.589 3.169 0 50 IGAA biogenic C[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCN1Cc1ccccc1 465408714 XJWXMOLWISPSJM-JOCHJYFZSA-N 428.621 3.328 0 50 IGAA C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)C(=O)Nc1ccc2c(c1)OCCO2 468499743 ATABOWSHGYUCFC-KPZWWZAWSA-N 447.417 3.301 0 50 IGAA CCN(Cc1cn([C@@H](Cc2ccc(Cl)cc2)C(=O)O)nn1)C(=O)CC1(OC)CCC1 1875356725 VSSOZBHKUQCHPF-SFHVURJKSA-N 434.924 3.108 0 50 IGAA N=c1[nH]c2cc(C(=O)N3CCC[C@H]3[C@H]3CCN(C(=O)CCCc4cccnc4)C3)ccc2o1 1875360323 FMYRFUVNFFMFQV-FPOVZHCZSA-N 447.539 3.111 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(Cl)cc2)cc1 912628 DGZUYVUNSXKQIE-UHFFFAOYSA-N 434.901 3.453 0 50 IGAA Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)Cc3ccccc3)sc2N(C)C)cc1 1121362 CJZVNFLCPNLLQG-UHFFFAOYSA-N 436.580 3.324 0 50 IGAA COc1ccc(C(=O)N[C@@H](C)c2nnc(SCCC(=O)Nc3ccccc3)n2C)cc1 2886123 RQHWUMIVFDCWNV-HNNXBMFYSA-N 439.541 3.436 0 50 IGAA CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1 2991811 NIVQIFPVCXLFGE-UHFFFAOYSA-N 425.493 3.472 0 50 IGAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2ccccc2F)CC1 12073429 MJQLROFUOHKLNE-UHFFFAOYSA-N 435.517 3.411 0 50 IGAA C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C 12383991 XLZOYAKZEWOFGP-CQSZACIVSA-N 426.498 3.457 0 50 IGAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCCN2CCCCC2=O)C1 12612674 BABVQVOBEVEHDU-DEOSSOPVSA-N 432.536 3.333 0 50 IGAA COC(=O)c1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 16805537 ZWBMFZWMODAJPA-OVCLIPMQSA-N 432.288 3.459 0 50 IGAA COCCNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 23362067 JXOLNTVFAAKCBG-FPOVZHCZSA-N 437.918 3.114 0 50 IGAA Cc1ncn(-c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ncn2)c1C 72442504 PWUSWVKXZJUVEC-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA COc1cc(Br)c(CNCc2ccc(CN3CCOCC3)o2)cc1OC 170616018 FWUHSTBNOINDMN-UHFFFAOYSA-N 425.323 3.181 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 229900643 QXYIDKKHZBJMFP-FSBGXSNOSA-N 442.302 3.425 0 50 IGAA O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(N3CCOCC3)ccn2)cc1 439470310 PBDFYLCWAXNIBN-UHFFFAOYSA-N 430.508 3.143 0 50 IGAA Cc1cccc2nc(C3CCN(C(=O)c4cccc([C@]5(C)NC(=O)NC5=O)c4)CC3)oc12 444557898 WPIWXQOHQGHKGI-DEOSSOPVSA-N 432.480 3.211 0 50 IGAA Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)nc2nc(O)nc(O)c12 746108038 FEWDWHSCXHVDBB-UHFFFAOYSA-N 445.483 3.372 0 50 IGAA O=C(NC[C@@H]1CCC[C@@H]1O)c1cncnc1N1CCC[C@H](Oc2ccccc2Cl)C1 1875360675 FOBMFLRJAWBAGH-BXWFABGCSA-N 430.936 3.069 0 50 IGAA COc1cc(F)cc(S(=O)(=O)NC(=O)[C@H](C(C)C)n2cnc3cc(F)c(F)cc32)c1 2325829423 JOTSKYAYLRXOCB-SFHVURJKSA-N 441.431 3.164 0 50 IGAA COc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)c1ccccc1)C[C@@H]2C 2325850536 AVMYMOAYFYYNOC-YROCYRMSSA-N 435.524 3.014 0 50 IGAA Cc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1 1152516 DWPCOFRELSGALA-UHFFFAOYSA-N 441.484 3.067 0 50 IGAA Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(Br)ccc1O 9235302 CLJOYEKGDYXZMW-UHFFFAOYSA-N 425.352 3.491 0 50 IGAA O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)NCCc1ccccc1 9235420 BAJRFLPMMOSVJD-UHFFFAOYSA-N 433.331 3.391 0 50 IGAA Cc1ccc(C)c(CN2C[C@@H](Sc3ccccn3)C[C@H]2C(=O)NCc2nonc2C)c1 11912636 ALALEFYRSJVOGR-FPOVZHCZSA-N 437.569 3.441 0 50 IGAA CC[C@@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCCC3)c2C(=O)OC)C1 12190841 UCSWEDVOGAXKDX-CQSZACIVSA-N 442.603 3.030 0 50 IGAA CCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1 14992120 LXDXIGRDVLXHBT-UHFFFAOYSA-N 444.495 3.404 0 50 IGAA COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 20602087 BVSIQONGYYVWFW-UHFFFAOYSA-N 443.569 3.488 0 50 IGAA Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)Nc3cccc4c3COC4=O)CC2)c(C)c1 808907693 OUXVYWUONKZUJD-KRWDZBQOSA-N 437.496 3.117 0 50 IGAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCc2nnc(Cc3cccnc3)n2CC1 952965353 OTUDBLQCYXVNQW-HXUWFJFHSA-N 426.524 3.250 0 50 IGAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)n1 2471997 HVBNGUUVGMRPBM-UHFFFAOYSA-N 441.538 3.021 0 50 IGAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)c1 9361226 GOQFCCFMCBDESV-OAHLLOKOSA-N 432.567 3.105 0 50 IGAA O=C(/C=C/c1cccc(F)c1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 12201831 WDZOVUGNXAWGLX-VQKOGROQSA-N 448.542 3.211 0 50 IGAA O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)C[C@H](NCCCn1ccnc1)CC3 12241084 AAMLLOHGBIMENF-GOSISDBHSA-N 437.544 3.379 0 50 IGAA CCC(CC)CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)Nc1cccc(SC)c1 12282786 SCGJDPDEXUMQDF-XLIONFOSSA-N 445.589 3.477 0 50 IGAA COC(C)(C)CNC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 20906530 PANPSFRAEWEHHE-UHFFFAOYSA-N 443.563 3.160 0 50 IGAA O=C(C1CCCCC1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 20907734 SWSXJIRVWBQFDP-DEOSSOPVSA-N 430.589 3.486 0 50 IGAA CC(C)Cn1c(CN(C)C[C@H]2CCCCN2C)cnc1S(=O)(=O)Cc1ccccc1 22914102 LOAZHJVSILVART-OAQYLSRUSA-N 432.634 3.429 0 50 IGAA COc1ccc(C[C@]2(CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)CCC(=O)N2)cc1OC 104303117 ZAVCWBWDBWKTHN-YASKCIBGSA-N 438.568 3.394 0 50 IGAA C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1 170617768 WPIPTEXZAUNMNP-LLVKDONJSA-N 439.456 3.390 0 50 IGAA CC[C@@H]1CN(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)Cc2ccc(Cl)cc2O1 299762022 UPBWPTNTSGSYMY-LJQANCHMSA-N 445.947 3.281 0 50 IGAA COc1cccc(CNCC[C@@H]2CCC(=O)N2CC2(N3CCOCC3)CCCCC2)c1 299781235 LBGJOOFKMPNQPT-QFIPXVFZSA-N 429.605 3.201 0 50 IGAA NC(=O)[C@H](OC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(F)cc1 915482553 BEPKYDGCAFOREL-IFMALSPDSA-N 436.439 3.162 0 50 IGAA CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnc2ccc(C)cn12 1875254175 FUOFDGVXIYUUJS-UHFFFAOYSA-N 429.546 3.357 0 50 IGAA Cc1noc(C)c1[C@@H](C)c1nc(-c2cccc(S(C)(=O)=O)c2)nn1CCCN(C)C 1875348751 BIMJOIOLPDAGLR-CQSZACIVSA-N 431.562 3.057 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1)C1CC1 1158585 CAURYQYCNMQIRW-UHFFFAOYSA-N 442.278 3.441 0 50 IGAA COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 3016714 ABMHXBFHOUUGAP-AWEZNQCLSA-N 432.270 3.237 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc(-n2cccn2)cc1 11785900 OIUMEOYMDDZDRY-QHCPKHFHSA-N 431.540 3.211 0 50 IGAA Cc1onc(-c2ccccc2)c1C(=O)NCCc1nnc(SC[C@@H]2CCCO2)n1C 12150385 BPQRXNQBYSUJGW-INIZCTEOSA-N 427.530 3.022 0 50 IGAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C(=O)c2ccccc2)C1 12442920 UGPLNUPTUWSFIN-OAQYLSRUSA-N 437.584 3.180 0 50 IGAA O=C(c1cn(C[C@H]2COc3ccccc3O2)nn1)N1CCC2(C=Cc3ccccc32)CC1 12713953 BAVMWFAWQRLCEX-IBGZPJMESA-N 428.492 3.319 0 50 IGAA CC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 12885664 OJUSSAHWFUPXQO-UHFFFAOYSA-N 432.406 3.201 0 50 IGAA CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C1CCOCC1)CC2 14541092 NOBKXMPQWXTSPZ-UHFFFAOYSA-N 425.573 3.088 0 50 IGAA Cc1c(C(=O)N2CCCCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 15068058 HSZOAECDWRCRGS-HNNXBMFYSA-N 436.603 3.253 0 50 IGAA COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N23)cc(OC)c1OC 22204921 BWOSIQYESMFZDR-UZLBHIALSA-N 437.521 3.267 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c(C)c1 67620726 GCMDHQZHSZBZTC-UHFFFAOYSA-N 435.532 3.259 0 50 IGAA O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 226405957 FTXHVSGIWYTQBC-MAODMQOUSA-N 430.460 3.101 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239439344 ZUGPJBNNTFSREC-KLVHLEODSA-N 436.508 3.025 0 50 IGAA O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 247742170 OVENKCBCRANJEW-NJYVYQBISA-N 427.504 3.367 0 50 IGAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1cnn(-c2ccccc2Cl)c1 781865438 SUNXMVHVYHYAFK-LJQANCHMSA-N 425.920 3.414 0 50 IGAA O=C(N[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(-n2cccn2)n1 1875318002 JKRJMMWOYOHVAH-QGZVFWFLSA-N 430.295 3.500 0 50 IGAA COc1ccc(COC[C@H](O)CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 2325711045 OBOZEZKNUMJVPA-OAQYLSRUSA-N 431.492 3.342 0 50 IGAA COc1cc2[nH]c(=NC[C@@H]3CCN(C)[C@@H]3c3cccc(Cl)c3)[nH]c(=N)c2cc1OC 2325731534 VQUQBEMLSAZVAA-VBKZILBWSA-N 427.936 3.240 0 50 IGAA CCc1nnc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(CC)CC)c2)s1 1165058 XZDNNPJRVUSLKB-UHFFFAOYSA-N 447.380 3.146 0 50 IGAA CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)Nc1ccccc1F 2876396 GHMNMQPJIKXECU-UHFFFAOYSA-N 443.504 3.358 0 50 IGAA COc1cc(CN(C)Cc2ccncn2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12574354 KUWYGTGBVAHPOB-JOCHJYFZSA-N 428.577 3.121 0 50 IGAA O=C1CC[C@@H](C(=O)N2CCCN(C(=O)c3ccco3)CC2)CN1Cc1ccc(Cl)cc1 12587610 RSGGZOLLTOZGPY-GOSISDBHSA-N 443.931 3.046 0 50 IGAA O=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2cccs2)CC1 13746538 ULHXSWOMYAGKNJ-UHFFFAOYSA-N 430.349 3.049 0 50 IGAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1OC 19771090 HYGUTCLNIUHNEO-NRFANRHFSA-N 427.520 3.270 0 50 IGAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccccc2)CC1 20168698 VQBQGFKBNOGGOB-UHFFFAOYSA-N 427.504 3.170 0 50 IGAA COC(=O)[C@@H]1CCCCN1Cc1nc(N2CCC(OC)CC2)c2cc(Cl)ccc2n1 55060717 KMIQTOYCXJDIFN-IBGZPJMESA-N 432.952 3.426 0 50 IGAA CC[C@H](C(=O)N[C@H](O)C(Br)(Br)Br)c1ccccc1 71769935 LZWBNLDBCJFZAX-GXSJLCMTSA-N 443.961 3.453 0 50 IGAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NOCc1cccnc1)C(=O)OC2 222061521 MSOMRIRXVGWDKB-MKMNVTDBSA-N 426.469 3.292 0 50 IGAA CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239009604 AXOYHVJKNCUICJ-IJTPNBLQSA-N 436.508 3.024 0 50 IGAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Br)cc1Cl 239403072 RLUOSSBFKIEXRS-NRULLWLTSA-N 435.705 3.094 0 50 IGAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c(OC)c1 239432896 WVDKNKYAZHNKRD-XPWALMASSA-N 446.459 3.461 0 50 IGAA CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](CC)CN1CC(C)(C)O 252587311 XJLVBEJGGDSBOL-KSEOMHKRSA-N 447.595 3.150 0 50 IGAA COC[C@@]1(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CCN(C(=O)OC(C)(C)C)C1 253419025 HELAYKBFQBPBPX-HSZRJFAPSA-N 431.533 3.198 0 50 IGAA O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)N1CCC(Oc2cccnc2)CC1 1506410855 UVVGCPBAULOBKO-UHFFFAOYSA-N 442.419 3.316 0 50 IGAA O=C(NCCS(=O)(=O)c1ccccc1)c1cc(-c2ccc(Br)cc2)on1 1775964992 PHLMOXLKOCEXFX-UHFFFAOYSA-N 435.299 3.308 0 50 IGAA C[C@H]1CCC[C@](O)(CNC(=O)C23CCC(C(=O)NC[C@@]4(O)CCC[C@@H](C)C4)(CC2)CC3)C1 2325750128 TWPAMROBBRKDBD-HXFNGWNJSA-N 448.648 3.442 0 50 IGAA O=C(Nc1ccc(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)cc1)OCc1ccccc1 2325853804 CFNJXRXZCWBUML-NHCUHLMSSA-N 446.463 3.345 0 50 IGAA CCOc1cc(OCC)c(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Br 1142698 VBMYNDGYCRURHI-VGOFMYFVSA-N 444.303 3.456 0 50 IGAA COc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1Cl 2979575 JLWHCATZDPRUJV-UHFFFAOYSA-N 428.963 3.023 0 50 IGAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 8454867 IQACKSUNPLEURF-SRKIZSPNSA-N 445.500 3.368 0 50 IGAA CCc1nn(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c2cc3c(OC)cccc3n12 8604979 YCJFLZQFVRLMKC-UHFFFAOYSA-N 438.915 3.233 0 50 IGAA COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(Cl)cc2)c1 9126733 UCJRPBMCCUDATA-UHFFFAOYSA-N 435.871 3.005 0 50 IGAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 14542678 UJRLYXWZCVBELP-KRWDZBQOSA-N 443.473 3.411 0 50 IGAA CCOc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)cc1CO 22909954 POMYCZMADNMCIQ-XMMPIXPASA-N 442.600 3.272 0 50 IGAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 55054102 HJBWGZLSBYKUSQ-OAQYLSRUSA-N 431.939 3.391 0 50 IGAA O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 218166419 HXUQGOWNNOLTEV-QPJJXVBHSA-N 425.964 3.204 0 50 IGAA O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1 239009572 AVNCYFMPGGDGIO-YPKJATJDSA-N 427.456 3.284 0 50 IGAA COc1ccccc1NC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1 239302484 FIKACSKATWRDDA-MISYRCLQSA-N 436.512 3.368 0 50 IGAA COc1cccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCC(C)C)c1 248188137 JKFQPGKPTRXCFH-GECPAALWSA-N 434.529 3.133 0 50 IGAA biogenic COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1 263617997 QUXNLCMWHPPABM-QGZVFWFLSA-N 433.512 3.250 0 50 IGAA COc1ccc(-c2nnc(SCc3cc(=O)c(OC)co3)n2C[C@H]2CCCO2)cc1 444005928 ZHSRNSYGUYKOOY-MRXNPFEDSA-N 429.498 3.387 0 50 IGAA Cn1ncc2c(O)nc(CN3CCC[C@@]4(CCc5cnc(-c6ccccc6)nc54)C3)nc21 1704337294 UPGNQCUGJJDEFB-XMMPIXPASA-N 427.512 3.006 0 50 IGAA O=c1c(NC[C@H]2CC[C@H](C(=O)NCc3ccc(Cl)cc3)CC2)c(N2CCCCC2)c1=O 1775953541 AUFVZTRTBAOACM-SAABIXHNSA-N 443.975 3.461 0 50 IGAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2cccnc12 1875321820 WYHMLWHEOAQUTB-UHFFFAOYSA-N 425.452 3.429 0 50 IGAA C[C@]1(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)Cc2cncc(O)c2)CCc2ccccc2C1 1875361700 ZBPZAJVYKVSCHB-MPCCHNLFSA-N 433.552 3.021 0 50 IGAA O=C(O)CCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 2345182 YSGDMMRYOUHKJF-GHRIWEEISA-N 431.286 3.201 0 50 IGAA Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 3549541 LAXBZJVJTYBODJ-UHFFFAOYSA-N 428.432 3.287 0 50 IGAA CC(C)[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2)N1C(=O)c2ccccc2C1=O 4289945 WAABZMWPEBPFFT-SGTLLEGYSA-N 439.537 3.231 0 50 IGAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nc(C)sc3C)cc2)CC1 11934027 WUJJBHOPWIYDJO-AWEZNQCLSA-N 431.558 3.267 0 50 IGAA C[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)CC2)C1 12243497 DAPIBBVQPAOFTQ-SFHVURJKSA-N 446.551 3.353 0 50 IGAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCc1nc(-c3ccccc3)cs1)C2 14530326 NCABHABPCOIZJD-SFHVURJKSA-N 435.597 3.469 0 50 IGAA COCCN(C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)C(C)C 14881023 HEFMFFKLJAVZLN-HSZRJFAPSA-N 428.554 3.219 0 50 IGAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(OCCO)cc2)C1 14960914 SEIVAADTHDKHQC-VWLOTQADSA-N 427.541 3.454 0 50 IGAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 14975352 FXRKPGOTZYTHRA-HNNXBMFYSA-N 429.464 3.339 0 50 IGAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCc4ccccn4)c3C)n2)c1 15067243 BSMICMHWRHAKCY-UHFFFAOYSA-N 444.495 3.022 0 50 IGAA Cc1nn(C)cc1-c1nn(S(=O)(=O)c2cccs2)c(-c2cn(C)nc2C)c1Cl 20617883 JMGWHYPRVZLXKU-UHFFFAOYSA-N 436.950 3.253 0 50 IGAA COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CC[C@@H](C)C2 34872867 NOPDZLMLJITFPB-MRXNPFEDSA-N 427.570 3.420 0 50 IGAA CSCc1nc2ccccc2n1CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 252669519 HTCXTMUKEZEYGK-LQWHRVPQSA-N 434.565 3.173 0 50 IGAA O=C(NCc1cccnc1)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1 299763058 GIUIAIYWNUPWRQ-UPVQGACJSA-N 436.506 3.409 0 50 IGAA COc1ccc(OC)c2c1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C)C[C@@H]2O 328593492 BCRJXUGHJOEOIR-LDBYXDLTSA-N 448.560 3.361 0 50 IGAA CN1C[C@@H](C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c2ccccc2C1=O 425926864 WQKVUVQPIVJGIU-OXJNMPFZSA-N 434.471 3.451 0 50 IGAA COc1cc(OC)cc(C2(F)CCN(C(=O)[C@H]3CN(C(C)=O)c4ccccc4O3)CC2)c1 801718956 WDWNJXRFTOGFPA-JOCHJYFZSA-N 442.487 3.305 0 50 IGAA CN(C)Cc1cnc(CN2CC[C@@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)s1 952893116 KZAFNZUBCJSGNZ-GOSISDBHSA-N 438.479 3.356 0 50 IGAA O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCC2(CCOC2=O)CC1 1875262631 WIKNZAMZYNXJMJ-UHFFFAOYSA-N 426.473 3.304 0 50 IGAA O=C(/C=C/C(=O)N1CCC(c2nc3cccc(F)c3[nH]2)CC1)Nc1ccc2n[nH]cc2c1 1875263599 UTDJTENUOXFKLW-VOTSOKGWSA-N 432.459 3.479 0 50 IGAA CCO[C@@H](C(=O)N1CCCC[C@@H](Cn2cc(-c3cc(C)ccc3C(=O)O)nn2)C1)C1CC1 1875356794 XIFHBIYYSVSMJU-VGOFRKELSA-N 440.544 3.396 0 50 IGAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(O)c(Br)c1Cl 684819 ABJMIXPDAWJOTN-CYBMUJFWSA-N 433.686 3.398 0 50 IGAA COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1OC 1219820 HBQBSJFLLIMPLZ-HNNXBMFYSA-N 447.329 3.178 0 50 IGAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 9442188 NQNCVKXSKPJQCX-CVEARBPZSA-N 447.557 3.017 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCC[C@@H](CCCO)C2)c1 12574099 UKEKWRKWTTUGIM-SFHVURJKSA-N 444.572 3.100 0 50 IGAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(Cc2cccn2-c2ccccn2)CC1=O 14538477 HNUWKYQJILJSRD-QHCPKHFHSA-N 433.556 3.153 0 50 IGAA COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2cccnc2)CC3)cc1 14538501 OJMOUZOQKQYJMF-UHFFFAOYSA-N 436.556 3.340 0 50 IGAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccccc1Cl)C2 14745492 VWFNMVYLWPORLS-IBGZPJMESA-N 445.007 3.355 0 50 IGAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2 14745970 DRXBLMHUQXKDSO-UHFFFAOYSA-N 429.524 3.449 0 50 IGAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C(C)C)CC2)CC(=O)N(Cc2ccccc2)C1=O 20782602 YJWWLBDNYDICNV-HHHXNRCGSA-N 447.579 3.135 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 100552514 YIDQGOPSWLXLCP-KLDKWKSESA-N 433.460 3.270 0 50 IGAA CC1(C)CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)C[C@]2(CCOC2)O1 225442654 SESHGCDUURKKQE-VWLOTQADSA-N 435.524 3.412 0 50 IGAA CCOC(=O)c1nc(NS(=O)(=O)c2cc(F)ccc2OCC2CC2)sc1C(C)=O 225529770 ZLQDWDBNNNEJON-UHFFFAOYSA-N 442.490 3.251 0 50 IGAA COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)c2)c(OC)c1 239403296 RSKYRWYPOSHAMP-NQQGOILISA-N 436.464 3.092 0 50 IGAA O=c1n(Cc2cccc(NS(=O)(=O)c3cnc4ccc(F)cc4c3)c2)nc2ccccn12 328595921 KKUKASXDODRCMT-UHFFFAOYSA-N 449.467 3.032 0 50 IGAA Cc1cc(NC(=O)CN2CCC(OC[C@@H]3CCCCO3)CC2)n(-c2ccccc2F)n1 426793609 OFQIGPQETCPJBN-IBGZPJMESA-N 430.524 3.308 0 50 IGAA CN1CCC2(CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1=O 446513657 GTTBREOABKRYQE-QGZVFWFLSA-N 438.355 3.069 0 50 IGAA O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC(c2nc(-c3ccccn3)no2)CC1 448350651 JKJGZPXMQZTWAA-UHFFFAOYSA-N 427.468 4.000 0 50 IGAA CC(C)Cn1cc(NC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1 786185434 ZSGBKWSTHIBQIX-UHFFFAOYSA-N 444.540 3.030 0 50 IGAA CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(F)c(F)c1 1875254695 MDMROKBZMQUZFE-KUHUBIRLSA-N 444.507 3.394 0 50 IGAA CN1C(=O)c2ccc(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C3CC3)cc2S1(=O)=O 2325702492 VKWUOFBBFISGLG-KRWDZBQOSA-N 438.427 3.361 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(Cl)cc1 622912 IBXQWOAMHLLBJU-QMJOVRGKSA-N 428.897 3.045 0 50 IGAA CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1 1060934 GTJSDYDMVKNOQD-UHFFFAOYSA-N 436.969 3.303 0 50 IGAA Cn1c(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21 1211400 BSYWKQOHDUINAU-UHFFFAOYSA-N 435.443 3.069 0 50 IGAA CCCCC(=O)N[C@@](Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F 2050542 OQKARIMHVKBIOW-GOSISDBHSA-N 449.495 3.266 0 50 IGAA COC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1nc(C2CC2)cs1)C(F)(F)F 2192052 HSGZMXFAHXCVHW-KRWDZBQOSA-N 429.420 3.303 0 50 IGAA COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ccccn5)CC4)nc3C2)c(OC)c1 10338452 WVIVEPOJYZATJZ-QGZVFWFLSA-N 445.523 3.128 0 50 IGAA O=CN1CCCN(C(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 12185214 CCZCLVVQRQBUAY-SANMLTNESA-N 433.552 3.016 0 50 IGAA O=C1NCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)[C@H]1c1cccc(F)c1 12436125 GMZMKERCJOZNQU-QFIPXVFZSA-N 446.438 3.254 0 50 IGAA COc1ccccc1OCC(=O)NC[C@@H]1Cc2c(F)ccc(-c3nc(C)cnc3C)c2O1 14885189 YGRINYDRLBYISW-INIZCTEOSA-N 437.471 3.407 0 50 IGAA Cc1cc2cc(CNC(=O)C[C@H]3C(=O)NCCN3Cc3ccc(F)cc3Cl)ccc2[nH]1 20867102 ULIXCWOHELPKIG-NRFANRHFSA-N 442.922 3.276 0 50 IGAA Cc1ccccc1-n1c([C@H](C)Nc2nc(N)nc3[nH]cnc23)nc2cccc(C)c2c1=O 38449853 PUYVJBBSBPUKBT-AWEZNQCLSA-N 426.484 3.424 0 50 IGAA OC[C@H]1CCCN1c1cc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)ncn1 170622192 APLVRJOYADCOGV-PXAZEXFGSA-N 427.307 3.462 0 50 IGAA Cc1c(C)[n+]([O-])c([C@H](c2ccccc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263588554 VQRULAANLTVOAP-HXUWFJFHSA-N 434.492 3.371 0 50 IGAA Cc1onc(-c2ccncc2)c1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 480453482 KTGJDKDMDBJQHN-UHFFFAOYSA-N 436.497 3.115 0 50 IGAA Cc1cccc([C@H](CC(=O)O[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)NC(N)=O)c1 733436858 JGFNBEVHUQNDFG-ROUUACIJSA-N 449.429 3.462 0 50 IGAA CN1CCN(Cc2cccc(CNC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)CC1 1318857654 RDADVMYAYBZJNC-UHFFFAOYSA-N 446.599 3.400 0 50 IGAA CCc1ccc(CN2C[C@@H]3CN(CCn4cc(Cl)cn4)C[C@]3(CCC(=O)O)C2)s1 1772817692 VCPTXJRREYWUBE-HRAATJIYSA-N 437.009 3.459 0 50 IGAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N3CCCCC3)cc(c1)-n1ccnc1-2 1857726050 UXURIHVZCGNGJB-UHFFFAOYSA-N 446.507 3.183 0 50 IGAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1Cc2cc(Br)ccc2O1 1875343981 ARSFXRNOLFXIOM-PBHICJAKSA-N 437.359 3.385 0 50 IGAA C=CC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 1875371468 BVBDHTJWXRTLQW-IBGZPJMESA-N 427.545 3.415 0 50 IGAA CN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)N(CCc2ccccc2)C1=S 2729272 FJEWHDMLBLXVSO-KRWDZBQOSA-N 446.370 3.448 0 50 IGAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cccc(OC)c3)cc2)CC1 12582065 ZMAQTYYUGMDBSA-UHFFFAOYSA-N 426.513 3.032 0 50 IGAA CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NCc2ccccc2)C1 17097002 MCYOCCRBIAUTCV-AWEZNQCLSA-N 430.526 3.233 0 50 IGAA CC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 20535812 MYAXDORBQOCXLD-JOCHJYFZSA-N 438.538 3.303 0 50 IGAA COC(=O)CC[C@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@H]1N1CCN(C)CC1 20601349 GWBBACYOXMPZHH-AZUAARDMSA-N 427.511 3.097 0 50 IGAA Nc1cc2ccccc2cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 238069445 UXMFGHSBLBFYDP-UHFFFAOYSA-N 427.501 3.098 0 50 IGAA O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239347358 MTXMAXMAULKZDK-NQNIXMJNSA-N 430.479 3.429 0 50 IGAA C[C@@H]1[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CCC[C@H]1C 239654498 BOBQLVBUZPIZQF-AFTNEDFKSA-N 436.350 3.157 0 50 IGAA Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 247857584 DMLNYBOCYBNNON-OSJYTEGDSA-N 439.874 3.219 0 50 IGAA C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C 252480899 CGANAKFHMFTXPF-HLAWJBBLSA-N 431.577 3.182 0 50 IGAA CC(=O)c1ccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 263615673 DOVFNVRAWJQMMX-QHCPKHFHSA-N 445.523 3.023 0 50 IGAA O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1)c1ccccc1 467085206 LKMCKZLLZUOKAL-INIZCTEOSA-N 441.509 3.247 0 50 IGAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1cc2nc[nH]c2cc1F 1875288028 KVZQFFOGCFUZNU-ZDUSSCGKSA-N 442.458 3.424 0 50 IGAA COC(CNC(=O)c1cc(C2CCCC2)no1)CNC(=O)c1cc(C2CCCC2)no1 2325733295 HYSVOYGUKMJJLX-UHFFFAOYSA-N 430.505 3.153 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)CC[C@@H]2CCCCO2)CC1)c1ccc2ncsc2c1 2332239096 WQEDUBBEPHNTTD-ZOKDDAQRSA-N 449.598 3.486 0 50 IGAA COc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 711732 DQIPSSAHATXZIR-IBGZPJMESA-N 433.430 3.168 0 50 IGAA COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C 955614 TUKCCNWLRUIGGX-UHFFFAOYSA-N 440.525 3.040 0 50 IGAA Cc1cc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)ccc1Br 1077527 JAKFSOXZLWAHDS-UHFFFAOYSA-N 433.274 3.440 0 50 IGAA Cc1c(NC(=S)NC(=O)c2cccc(I)c2)cccc1C(=O)O 1159787 CUPQBKCXJMCMQT-UHFFFAOYSA-N 440.262 3.425 0 50 IGAA CNc1nc(Cl)nc2c1ncn2CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C 2563945 NASABYJQIYJDID-UHFFFAOYSA-N 439.944 3.316 0 50 IGAA in-vitro O=C(Nc1c(F)c(F)cc(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2802876 XNCXMUBRBHBQAZ-SNVBAGLBSA-N 434.386 3.422 0 50 IGAA O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C(=O)[C@H]1COc3ccccc3O1)CC2 12098262 PACFRPREXDGSCM-NZQKXSOJSA-N 434.536 3.204 0 50 IGAA COCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)NCCCSC)c21 12161328 PJSDUVBWKPSLQX-UHFFFAOYSA-N 441.557 3.186 0 50 IGAA CC(C)(CO)CN[C@@H]1CCc2c(sc3ncn(CCc4cccc(F)c4)c(=O)c23)C1 19114098 UFYHKIUCAFFESO-QGZVFWFLSA-N 429.561 3.305 0 50 IGAA Cc1ccc(CCC(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 20915699 FBNXMSLBYLIFBC-DEOSSOPVSA-N 449.595 3.465 0 50 IGAA CC(C)(C)OC(=O)N1CCCN(CCCOC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 170609402 IHSCYMHJRWDTHL-UHFFFAOYSA-N 449.573 3.221 0 50 IGAA COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)CC2 225644599 NIRHSVFNUJKRPX-NSHDSACASA-N 429.464 3.415 0 50 IGAA Nc1nccnc1C(=O)OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 229421612 BFVRUKNNESEZQE-PPCDKBGESA-N 447.451 3.225 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 229902142 WZTBGUAXFBSKAK-AVJFOWIRSA-N 441.462 3.410 0 50 IGAA O=C(Oc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239174480 QCGPCNACJMKCBD-BLTUZGSGSA-N 431.463 3.396 0 50 IGAA COc1ccccc1-c1ccc(C(=O)O)c(N2CCC(N3CCC[C@@H](CO)C3)CC2)n1 299760116 RPSDDZIXDMAZSB-QGZVFWFLSA-N 425.529 3.129 0 50 IGAA C=CC(=O)N1CCC(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)CC1 1776004411 RJMXMQGFXIAZOI-XMMPIXPASA-N 438.524 3.343 0 50 IGAA O=C(CCNC(=O)Nc1ccc(Br)cc1)NCc1nc(-c2cccs2)n[nH]1 1875256870 SJSHJHHRRCCAEZ-UHFFFAOYSA-N 449.334 3.124 0 50 IGAA O=C(NC1CCN(C(=O)c2ccccc2CSC2=NCCS2)CC1)c1cccnc1 1875261942 QYIUNUVRMAIQEQ-UHFFFAOYSA-N 440.594 3.452 0 50 IGAA O=C(CN1CCC(c2nc3c(s2)CCC3)CC1)NCc1ccc(N2CCCC2=O)cc1 1875335374 FUQKXRLVHNTNQC-UHFFFAOYSA-N 438.597 3.254 0 50 IGAA Cc1nn(-c2ccccc2)c(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCCC1 2325827980 VQKOIRDASLMSQS-SFTDATJTSA-N 436.556 3.264 0 50 IGAA CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)[C@@]23Cc2c(cc(CO)c(C=O)c2O)O3)C1(C)C 2332918191 NBHMHKSBJDGUEU-BJBZYLSGSA-N 446.540 3.146 0 50 IGAA COc1ccc(CC(=O)Nc2cccc(C(=O)NN3C(=O)c4ccccc4C3=O)c2C)cc1 1110237 BSNUWWHUJWUQCB-UHFFFAOYSA-N 443.459 3.126 0 50 IGAA NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1I 1141682 UOCROCSVFXLAJT-NTEUORMPSA-N 426.641 3.201 0 50 IGAA CCOC(=O)C[C@@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1ccc(OC)cc1 2696548 SANWKUSGTHDNMQ-GOSISDBHSA-N 425.437 3.235 0 50 IGAA COc1ccc(N([C@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 2982618 UPYMAGQELCQWIP-CQSZACIVSA-N 442.990 3.412 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1C 11698020 CMJJJMAYKFBGGL-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)Cc2ccsc2)(c2ccccc2C)C1=O 12196795 QPSOKVUNHLFLEI-UUOWRZLLSA-N 442.581 3.227 0 50 IGAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ccccc3F)C2)c1 14748692 VYSHBVMJRAIUEM-FQEVSTJZSA-N 428.504 3.360 0 50 IGAA C/C=C(\C)CN1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CCCN(C)C)C2=O)CC1 14879051 RPTUCNHNDZIOHE-MVHFNQTPSA-N 444.595 3.289 0 50 IGAA CC(=O)Cc1nsc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(C)C)n1 16647823 GMBAFXLUNKRIDS-UHFFFAOYSA-N 449.334 3.389 0 50 IGAA COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1 20219641 MAPBSFRPYOILBT-JOCHJYFZSA-N 434.492 3.069 0 50 IGAA aggregator COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(OCn2cc(Cl)cn2)c1 20606121 NPKDIOAFUWTSGB-FQEVSTJZSA-N 425.872 3.313 0 50 IGAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)CN(Cc2ccc3ccccc3c2)C1 23352482 CJEWKNASVYYWHG-ZEQKJWHPSA-N 436.644 3.442 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)cc2)cc1 101877885 DKCRLGKADKVTAO-NOHMWWQBSA-N 445.471 3.437 0 50 IGAA CC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 229383239 HZPNOXCDXWPAGN-WXNWJBHASA-N 425.910 3.022 0 50 IGAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN=C1c1ccccc1 239038825 DZHDHAJSPBXVPP-VSKRKVRLSA-N 429.520 3.062 0 50 IGAA COc1ccccc1N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)C(=O)c1ccccc1 239235758 WQAJJRTUERZDQE-CXWWUJLYSA-N 428.488 3.353 0 50 IGAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 239762208 CLJSSRWBCAOWQK-BRWVUGGUSA-N 441.553 3.374 0 50 IGAA O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 245284480 SERUAYRWBDLZJN-SAIGFBBZSA-N 444.583 3.413 0 50 IGAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 334160584 HXEIHKHFFOBEJW-XXBNENTESA-N 426.561 3.438 0 50 IGAA O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@]2(CCCc3ccccc32)C1 753321563 QYCRLCROOCDDPS-KAYWLYCHSA-N 443.547 3.277 0 50 IGAA COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089810 JJRHJVSMZMAANI-GOSISDBHSA-N 427.526 3.245 0 50 IGAA NC(=O)[C@@H](OC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(F)cc1 915482554 BEPKYDGCAFOREL-IRLDBZIGSA-N 436.439 3.162 0 50 IGAA COc1ccc2c(C(=O)N3CC[C@H](O)[C@@](CO)(Cc4ccc(F)cc4)C3)cc(C)nc2c1 1857737740 APQLJTLYJSRCIF-ZCYQVOJMSA-N 438.499 3.119 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1=O 2325819874 SRXJLVCVHMEPBL-BBRMVZONSA-N 438.908 3.035 0 50 IGAA CCOC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OCC)c2c3c(c(=O)oc2c1)CCCC3 630329 KIJILEWHGSWRGV-KBPBESRZSA-N 432.469 3.333 0 50 IGAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1 1195885 SKCBYQCCNWGKRK-ZOVQAKDCSA-N 439.467 3.155 0 50 IGAA COC(=O)c1ccccc1NC(=O)N[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2825664 KNJRZKBBXXEAPD-NRFANRHFSA-N 443.459 3.460 0 50 IGAA COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)c1 2841535 DEQITHQQAINVIE-UHFFFAOYSA-N 445.932 3.138 0 50 IGAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 2875497 FKMPGMOMUOWIOR-JTQLQIEISA-N 431.297 3.070 0 50 IGAA C/C(=C\c1ccccc1)CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 11882195 FJGYBDOILMIRHI-DHUDHEQZSA-N 445.567 3.496 0 50 IGAA COc1ccc(CNCC2CCN(C)CC2)c(OC[C@H](O)CN2CCCCCCC2)c1 12297407 UQETXDVFIJVNQT-HSZRJFAPSA-N 433.637 3.132 0 50 IGAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)C[C@H]1COCCO1 12455578 IEDSFXOVGQVXCH-KRWDZBQOSA-N 442.541 3.020 0 50 IGAA CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)/C=C/c3ccco3)CC2)c(Cl)c1 12571978 MVBNJNVUHWRFDB-SOFGYWHQSA-N 445.947 3.308 0 50 IGAA COc1cc(C(=O)N(C)Cc2nnc(C)o2)ccc1OC1CCN(C2CCCC2)CC1 12581717 MRIBKLBKYVFWRD-UHFFFAOYSA-N 428.533 3.445 0 50 IGAA COC(=O)c1c(NC(=O)Cc2ccccc2)c2cc(N[C@H](C)CO)cnc2n1CC(C)C 14534986 YSHZJSPQZNZSRS-MRXNPFEDSA-N 438.528 3.453 0 50 IGAA CC(C)c1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)[nH]n1 14540051 YGQJPYKJVZLIEO-FQEVSTJZSA-N 439.560 3.131 0 50 IGAA CCCC[C@@H]1CN(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2ccccc2O1 15070898 QZYQEIURZZQAIT-OAQYLSRUSA-N 439.556 3.408 0 50 IGAA CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 16447553 LWSRVLROUXGGFQ-NIRMEOIISA-N 446.613 3.216 0 50 IGAA CC(C)N(CCO)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12 19939265 NZMRJWBMEXJYAR-UHFFFAOYSA-N 426.948 3.389 0 50 IGAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O 35851479 LNENLABLFGGAFF-BHIFYINESA-N 446.503 3.300 0 50 IGAA in-vitro COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(O)c(Cl)c2)CC1 39500362 OSGIGDYJFGLCEO-UHFFFAOYSA-N 448.947 3.474 0 50 IGAA Cc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)s1 55133415 GPDWQCYTRGWVEL-KRWDZBQOSA-N 425.476 3.082 0 50 IGAA COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(NCCCN(C)C)c2C1 113665465 NXFSVCNNVJTXAB-UHFFFAOYSA-N 437.588 3.373 0 50 IGAA NC(=O)c1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Br)cc2)OC3)cc1 169759804 ZABXVWHRZYJWBK-SFHVURJKSA-N 441.285 3.268 0 50 IGAA CN1CCCN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@H]3CCCO3)cc2F)CC1 240555846 GXTUSCPNXXYETN-BGYRXZFFSA-N 434.556 3.160 0 50 IGAA O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCCC3)c2c1)[C@H]1CC=CC[C@H]1C(=O)O 245255219 GEFJTHNVEMKIAF-RZQQEMMASA-N 425.485 3.385 0 50 IGAA COC(=O)C[C@@H](c1oc2ccccc2c(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O 253413361 UOWOEOSLLUVRLO-MRXNPFEDSA-N 435.432 3.054 0 50 IGAA biogenic C[C@@H]1COc2ccccc2CN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 782501506 SIRYFDMYNMLXDB-QUGAMOGWSA-N 443.503 3.417 0 50 IGAA CC(=O)c1c(C)nn(CC(=O)Nc2nnc(CCOc3cc(C)ccc3C)s2)c1C 1529126313 ARJFRENSLHJMRX-UHFFFAOYSA-N 427.530 3.431 0 50 IGAA Cc1nc(-c2ccc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)cc2)co1 1875261787 MCJPZMADOMXDPD-UHFFFAOYSA-N 435.299 3.460 0 50 IGAA CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)c1ccc2[nH]nc(C(=O)O)c2c1 1875301709 QUYMUMCNOPNISZ-UHFFFAOYSA-N 447.451 3.431 0 50 IGAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32CO)OCCO6)OCCO1 2080799082 SPRGBCQVWWNTQI-BEPHGTPJSA-N 436.589 3.095 0 50 IGAA CC1([C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32CO)OCCO6)OCCO1 2080799083 SPRGBCQVWWNTQI-RRQOTRQLSA-N 436.589 3.095 0 50 IGAA C[C@]1(C(=O)N2CCCN(C(=O)c3ccco3)CC2)CC(c2cccc(Cl)c2F)=NO1 2325828813 RRTFPTAKVAEZJL-OAQYLSRUSA-N 433.867 3.330 0 50 IGAA Cc1ncoc1CN(C)C(=O)c1ccccc1Cn1cc(COc2cccc(O)c2)nn1 2325863783 WPUBVUAYKBFYAK-UHFFFAOYSA-N 433.468 3.180 0 50 IGAA COc1cc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc(OC)c1OC 643487 BAWMCMDWVWTQMQ-OAQYLSRUSA-N 448.519 3.370 0 50 IGAA CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 2854580 RPRYZFYPNNAYIX-UHFFFAOYSA-N 440.905 3.021 0 50 IGAA COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC 3872167 XBRXTUGRUXGBPX-IRXDYDNUSA-N 437.500 3.096 0 50 IGAA in-vitro COc1ccc(C(=O)NCCc2nnc(SC)n2-c2ccc(F)cc2)c(OC)c1OC 12243916 GWNNFRCRIIBWIN-UHFFFAOYSA-N 446.504 3.127 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1)Nc1ccc(C(F)(F)F)cc1 12302633 ZVSNPTYVRSLQJO-HNNXBMFYSA-N 425.451 3.285 0 50 IGAA COc1ccc(CCNC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1OC 12371309 ZDMVIHVYKHYEPB-UHFFFAOYSA-N 446.503 3.346 0 50 IGAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl 13483836 FRCGXNDEEUQMCH-UHFFFAOYSA-N 444.962 3.324 0 50 IGAA CCCCc1nc(CN2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3C)c[nH]1 14537226 GYNHBAFSLIRKDJ-UHFFFAOYSA-N 439.560 3.190 0 50 IGAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCC1C3CC4CC(C3)CC1C4)C2 14742482 JKLVXGZXMUEGPF-PRYZXDJCSA-N 428.646 3.128 0 50 IGAA COc1ccc(CNC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCC3)c2=O)cc1 15071713 DPOJNYDCXDYKON-UHFFFAOYSA-N 425.529 3.069 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](CCCC1C(=O)OC(C)(C)OC1=O)C(=O)OCc1ccccc1 15777649 XJSJPXBZBYGMGI-KRWDZBQOSA-N 449.500 3.246 0 50 IGAA CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)N2CCC(CN3CCCCC3=O)CC2)C1 225504760 PVWOAOYKARHIGD-NTKDMRAZSA-N 433.593 3.275 0 50 IGAA C[C@H]1Oc2ccccc2N(CCC(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)C1=O 225659196 JXOWIOSRGUPLSW-MJGOQNOKSA-N 433.508 3.142 0 50 IGAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1NC(=O)c1ccccc1F 242339105 ZEYLEKCUIJJQPI-QIJUGHKUSA-N 426.488 3.388 0 50 IGAA COc1ccc(Cn2cc(C(=O)OCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cn2)cc1OC 778457069 HRUDTSUEBJRUHV-ZTTFOMCMSA-N 441.528 3.046 0 50 IGAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)CCc3c(C)nn(C)c3C)CC1)CC2 824616708 IAGHJQGGKLAMJX-UHFFFAOYSA-N 440.588 3.036 0 50 IGAA O=C(OCCN1CCc2ccccc21)[C@H]1C[C@H](O)CN1C(=O)c1ccc2ccccc2c1 2325745667 RBDHXYZPYWGTFL-LADGPHEKSA-N 430.504 3.021 0 50 IGAA O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3cccc4nccnc34)CC2)N1 11965574 YFGYGYXWPVTANT-SANMLTNESA-N 443.551 3.443 0 50 IGAA CCc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)Nc2cc(Cl)ccc2OC)cc1 12037475 NGLWGTZWQSNOAV-QUCCMNQESA-N 440.935 3.352 0 50 IGAA COc1cc(CO[C@H]2CN(C(=O)CCC(F)(F)F)CC(=O)N(C(C)C)C2)cc(OC)c1 14531786 HPELMFIWCDTECL-SFHVURJKSA-N 446.466 3.011 0 50 IGAA CSc1ccc(CN2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)cc1 23337718 DCGGMAUMRJZZNB-UHFFFAOYSA-N 425.598 3.467 0 50 IGAA C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)C(=O)N1CCCC1 241586430 OVZHKRHJXKCTQC-FEHORTKBSA-N 431.964 3.240 0 50 IGAA COc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(=O)c2ccccc2)cc1 245227699 LYODWEBUBQTHHF-PPMYUTJDSA-N 428.488 3.353 0 50 IGAA Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 245326456 KHHKVDWKRIGLCF-DWKCODDLSA-N 439.874 3.219 0 50 IGAA Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1C 467278697 OJBQTVKOQDNKCQ-MRXNPFEDSA-N 444.523 3.434 0 50 IGAA C=CC(=O)N1CCC(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)(c2ccccc2)CC1 1444747070 IVNHHOVFFGKDTM-HSZRJFAPSA-N 428.479 3.035 0 50 IGAA CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 1470146295 GAOVKYXJGDRRBQ-WZONZLPQSA-N 441.915 3.387 0 50 IGAA CCCC(=O)N=S1(=O)CCC2(CC1)C[C@H](NC(=O)c1cn(C(C)C)nc1C)CCO2 2332238301 KLWLSJCKBUHJSU-JRROKZIOSA-N 438.594 3.009 0 50 IGAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c(OC)c1 786524 QXHDDMHOSXDDMM-UHFFFAOYSA-N 442.497 3.164 0 50 IGAA COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 869496 RGNNNYAOEWEBQV-UHFFFAOYSA-N 441.509 3.241 0 50 IGAA COc1cc(C=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 2841511 MCCPZJKGXXZYRX-UHFFFAOYSA-N 425.222 3.438 0 50 IGAA O=C(O)CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1Br 2910667 IKDJQLCHRSXIMG-OQLLNIDSSA-N 437.677 3.074 0 50 IGAA O=C(/C=C/c1ccccc1)N/C(=C\c1ccco1)C(=O)OCN1C(=O)c2ccccc2C1=O 12656978 BIWDIDLBBIKJFB-JTHDKOFASA-N 442.427 3.247 0 50 IGAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 14733225 IVFLYRGNVZVXCA-UHFFFAOYSA-N 439.604 3.374 0 50 IGAA CCCOc1ccc(-c2nc3s/c(=C4\C(=O)N(CCC)c5ccccc54)c(=O)n3n2)cc1 16713564 MZEVYIBLGROYCH-VXPUYCOJSA-N 446.532 3.281 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c(OC)c1 65365000 WCAVIQYMKUXFPN-SFHVURJKSA-N 448.527 3.452 0 50 IGAA CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 225453338 OSXSYJVRGAVTDW-PZJWPPBQSA-N 439.560 3.229 0 50 IGAA COc1ccc(CNC(=O)CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cc1OC 1529119140 SZFYGCJDDXPQOW-UHFFFAOYSA-N 426.492 3.215 0 50 IGAA CN1CC[C@H](Sc2ccccc2NCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1=O 1875259340 SYSTVIWPGAOHQH-FPOVZHCZSA-N 443.544 3.161 0 50 IGAA C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cnn(C2CC2)c1 1875301498 LRSMUOYDNRNJAP-PXAZEXFGSA-N 437.422 3.282 0 50 IGAA O=C(Cc1cccnc1)N1CCC[C@@H]([C@@H]2CCN(C(=O)C3=Cc4cc(F)ccc4OC3)C2)C1 1875360170 AKFURJBSFCSSRU-WOJBJXKFSA-N 449.526 3.326 0 50 IGAA CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=O)[C@H](C)c1cccc(Br)c1 2325877089 IOEWJDDYAZYLBW-VMDGZTHMSA-N 448.361 3.433 0 50 IGAA COC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 1008263 AMILMUBOZULYNM-WQRHYEAKSA-N 440.477 3.222 0 50 IGAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C1=S 1110324 WQVSMRAZSIWATJ-INIZCTEOSA-N 445.928 3.415 0 50 IGAA C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C 12383990 XLZOYAKZEWOFGP-AWEZNQCLSA-N 426.498 3.457 0 50 IGAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C(=O)c2ccccc2)C1 12442922 UGPLNUPTUWSFIN-NRFANRHFSA-N 437.584 3.180 0 50 IGAA COc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 16246817 YHFDNOMZTXLHII-UHFFFAOYSA-N 442.512 3.192 0 50 IGAA CC(C)c1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 19837914 IHTGTMUAANJWKQ-UHFFFAOYSA-N 432.572 3.104 0 50 IGAA Cc1ccc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 20999023 JGKJTVDNHIBIOP-HSZRJFAPSA-N 432.572 3.475 0 50 IGAA CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 44901779 LUMRJCWREDZCSL-QGZVFWFLSA-N 426.542 3.437 0 50 IGAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCCC3CCCC3)c2)CC1 77405956 WCYYHVJPVVLJCY-QHCPKHFHSA-N 432.605 3.371 0 50 IGAA COc1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cc1 101128545 JBEVTSXUNAAXKV-SGNDLWITSA-N 427.504 3.311 0 50 IGAA COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 170624008 UPTDIRMGUBVISL-QFIPXVFZSA-N 434.496 3.201 0 50 IGAA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2nc3ccccc3n2C)n1 218339801 UZKOTMGJLPLWMX-OAQYLSRUSA-N 428.540 3.362 0 50 IGAA C[C@H](NC(=O)C[C@]1(C(=O)N[C@H](C)C2CC2)CCN(C(=O)OCc2ccccc2)C1)C1CC1 242273648 YERQBORPLAAWEX-YYULODDRSA-N 441.572 3.235 0 50 IGAA COc1ccc2c(c1)nc(CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C)n2C 253419774 SFPABOHXNXGXNU-JXFKEZNVSA-N 430.549 3.480 0 50 IGAA CCCCn1c(CN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)nc2c1c(=O)nc(O)n2Cc1ccccc1 253532717 TVHAWHHJVLOHJE-HUUJSLGLSA-N 433.556 3.377 0 50 IGAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC(Oc2ccccc2)C1 1875301650 OGEMSLDTKDTTRK-GOSISDBHSA-N 435.402 3.163 0 50 IGAA O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1)N1CCC[C@H]([C@@H]2CCNC2)C1 1875348873 FPTMYAGYOSDEMB-RTWAWAEBSA-N 427.570 3.090 0 50 IGAA COC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1[C@@H](C(=O)OC)CC2 729943 DXQYBEPQZBNIAU-NSHDSACASA-N 427.434 3.096 0 50 IGAA COc1ccc(OC)c(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1 886973 HBEROJBWPPRIDL-UHFFFAOYSA-N 432.542 3.302 0 50 IGAA Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3ncc(Br)c3C)cn2)cc1 2808236 JCLIZXNVSAWUDN-UHFFFAOYSA-N 444.362 3.425 0 50 IGAA Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O 2812450 YNKHWSUSEHOXTL-UHFFFAOYSA-N 449.960 3.289 0 50 IGAA CSCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 14973426 GDXNWAFTXXHQGU-OAQYLSRUSA-N 427.570 3.039 0 50 IGAA COc1cccc(CCNc2ncnc3sc(C(=O)NCC4(C)COC4)c(C)c23)c1 14998664 OHKGWFVPJWOHQZ-UHFFFAOYSA-N 426.542 3.429 0 50 IGAA O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 170591878 WOZUDADEUBLSJO-OFVILXPXSA-N 439.577 3.433 0 50 IGAA Cc1ccc(-c2csc3ncn(CCC(=O)N4CCC([C@@H](C)O)CC4)c(=O)c23)cc1 170631769 SBQANMOGFOAKLB-MRXNPFEDSA-N 425.554 3.443 0 50 IGAA CCCCOC(=O)[C@@]12C[C@H]3CC[C@@]1(C)[C@@]3(C)CN2S(=O)(=O)c1ccc2c(c1)OCCO2 222022334 OARGLTAFTCKJTC-FGSBKAERSA-N 449.569 3.371 0 50 IGAA CCN(C(=O)CN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 228969140 DBXBRKMXIWGCOG-MSOLQXFVSA-N 432.508 3.268 0 50 IGAA CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 245245615 FDIDDYKYJCSPRC-FCQWJQKHSA-N 441.940 3.018 0 50 IGAA O=C(O)COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 245311947 QRDNEVXKPVQSKQ-ZRBLBEILSA-N 444.443 3.201 0 50 IGAA C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1NCC1CCN(C(=O)c2ccccc2)CC1 252571508 YBVPPAKNYCYABQ-VLCRHTCISA-N 445.604 3.447 0 50 IGAA COc1ccccc1N1CC[C@H](N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O 464865773 LXQMYDNVRMFKGA-FQEVSTJZSA-N 427.932 3.302 0 50 IGAA COc1cc2c(cc1S(=O)(=O)Oc1ccc(Sc3ccncc3)cc1)OCC(=O)N2 797445219 QPMOAERTHLLAIH-UHFFFAOYSA-N 444.490 3.340 0 50 IGAA O=C(N[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cncc(N2CCCC2)n1 1875317706 AEKJHTAIXIXICY-MRXNPFEDSA-N 434.327 3.309 0 50 IGAA CN(Cc1ccc2nccnc2c1)C(=O)Cn1cc(NC(=O)CSc2ccccc2)cn1 11910952 PGFNFHNFJIIUFL-UHFFFAOYSA-N 446.536 3.216 0 50 IGAA CCCN1C(=O)/C(=c2\sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)c2ccccc21 13536499 IEEXYYJNJGCWDI-VXPUYCOJSA-N 446.532 3.280 0 50 IGAA COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN([C@H]2CCSC2)CC3)cc1 14741887 CALDEDXQMSTDIM-FQEVSTJZSA-N 445.629 3.498 0 50 IGAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(OCCO)cc2)C1 14960911 SEIVAADTHDKHQC-RUZDIDTESA-N 427.541 3.454 0 50 IGAA CC(C)Cc1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 19792356 VPNXLFMCKWHLDM-HSZRJFAPSA-N 439.604 3.119 0 50 IGAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)c1 20997722 NEKUULHKNVXHFY-OAHLLOKOSA-N 441.482 3.114 0 50 IGAA CCc1cc(Br)ccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239339252 LXAMYYDSLADNDR-OSESEZTESA-N 443.341 3.392 0 50 IGAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 426197555 DDEFRRNYTHUBKL-GXJPBRFKSA-N 448.394 3.380 0 50 IGAA Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1 432568039 RTPCZBPGSBUDHU-LJQANCHMSA-N 437.565 3.414 0 50 IGAA O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2F)CC1 813400232 MYSBOAMCVGFXAV-KRWDZBQOSA-N 442.821 3.099 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1 644386 QCBPDASXZKZHLY-UHFFFAOYSA-N 437.359 3.213 0 50 IGAA Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2F)c(C)c1 1147880 SQEZQILHRPPGRT-UHFFFAOYSA-N 429.311 3.430 0 50 IGAA NC(=O)c1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 4241952 YOTDQRFXBNPJQA-QFIPXVFZSA-N 430.460 3.320 0 50 IGAA CC[C@@]1(C2CCN(CCC(C)C)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 11786922 MWLFNKPQQACEER-DVECYGJZSA-N 429.561 3.285 0 50 IGAA CC[C@H](O)CNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1S[C@@H](c1ccccn1)C2 11909720 BJCSAWSZXUIOHD-KSFYIVLOSA-N 435.549 3.431 0 50 IGAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C3)c1 12024800 RQOJARAVKGLFAP-CVDCTZTESA-N 438.499 3.434 0 50 IGAA O=C1CCCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12439817 IDNFIJWEOUWREY-JOCHJYFZSA-N 445.579 3.058 0 50 IGAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2ccc(O)cc2)C3)cc1 14746998 DPARNJWTHSKJFI-UHFFFAOYSA-N 446.551 3.291 0 50 IGAA CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1 15007787 WEEUBBIOECPTNT-SFHVURJKSA-N 431.577 3.254 0 50 IGAA COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)CN1CCCN(C)CC1 20782532 HCWWFYHNUJPPNG-NRFANRHFSA-N 448.007 3.016 0 50 IGAA COc1ccc(CN[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(CC(C)C)C2)cc1O 23340243 BRBDSWCIAFZYJM-UNMCSNQZSA-N 443.563 3.087 0 50 IGAA COc1ccc(CCc2nc(-c3nnn4c3CO[C@H](c3ccc(OC)cc3)C4)no2)cc1 169769110 TUVDKELNZLDCPW-FQEVSTJZSA-N 433.468 3.402 0 50 IGAA C[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)N1CCCCC1=O 170606532 RDLRWLDRPUDEKQ-INIZCTEOSA-N 443.617 3.215 0 50 IGAA O=C1Nc2ccccc2[C@H]1C1CCN(c2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 462812982 PLMBVHIGJKNRKO-HXUWFJFHSA-N 426.480 3.473 0 50 IGAA C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)C[C@@H](C)O1 729295697 CAHSRXYDNIQSMV-OAGGEKHMSA-N 432.517 3.215 0 50 IGAA O=C(CCc1ccc(O)nn1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857688927 NLIAKFJRYWWRQM-JOCHJYFZSA-N 438.572 3.213 0 50 IGAA CN(C)C(=O)c1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)ccn1 2325820296 MTQMWUCQQZZNMB-UHFFFAOYSA-N 449.338 3.310 0 50 IGAA COCCN1C=C(C(=O)OC)C(c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1 2805644 TWFKASVQQSKIQM-UHFFFAOYSA-N 437.492 3.425 0 50 IGAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 2982356 FEFIWZMSXVGERZ-UHFFFAOYSA-N 439.278 3.376 0 50 IGAA Cn1c(CN2C[C@@H](c3ccccc3)CC2=O)nnc1SCC(=O)Nc1ccccc1F 12427816 PNAWLXRGVGHBAS-INIZCTEOSA-N 439.516 3.201 0 50 IGAA O=C(CCc1nc2ccccc2[nH]1)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1 14532193 FBYZKWMBYIYQQB-OAQYLSRUSA-N 446.551 3.162 0 50 IGAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)c3cc(C)oc3C)C2)c1 14747217 PMDSGASDSVCREZ-NRFANRHFSA-N 428.529 3.431 0 50 IGAA O=C(NCCOc1cccnc1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 15062394 BBACCCWPCNGFCW-UHFFFAOYSA-N 432.524 3.329 0 50 IGAA Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O 169758029 QBLVNBRIFZLVCO-HXUWFJFHSA-N 425.872 3.473 0 50 IGAA CCCC[Sn](CCCC)(CCCC)c1cn(C)c(=O)n(C)c1=O 169905307 PLNLBEKHCPZVOS-UHFFFAOYSA-N 429.193 3.140 0 50 IGAA CCN1C(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)[C@H]1Cc1ccccc1 170615466 JKJNNDIDNUHJFW-HXUWFJFHSA-N 429.542 3.117 0 50 IGAA O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 245239046 DWQIWIVOLGFWKS-IPJJNNNSSA-N 433.508 3.015 0 50 IGAA CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4cc(C)ccc4N2[C@H]3C(C)=O)cc1 245254855 CPRDYABZGSIJBI-MLCQCVOFSA-N 444.487 3.151 0 50 IGAA O[C@@H](COc1ccccc1)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 261464178 XOLVCKPDEDEQQP-OAQYLSRUSA-N 441.535 3.254 0 50 IGAA Cc1ccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)CC2)cc1 263615243 BIZYSKCNNQVBFC-OAQYLSRUSA-N 437.931 3.474 0 50 IGAA C[C@@]1(O)CCCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 471070410 IBZIDCOVCYVSDA-AREMUKBSSA-N 432.568 3.452 0 50 IGAA O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)ccc21 471577180 IKZUMRKQPKQBGK-VWLOTQADSA-N 445.496 3.335 0 50 IGAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 481258472 PDAQGUNISFPXBC-WIYYLYMNSA-N 449.477 3.165 0 50 IGAA Cc1nc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)nn1-c1c(Cl)cccc1Cl 1775988993 XWEDEOFPRQATIM-WMZOPIPTSA-N 438.359 3.241 0 50 IGAA Cc1nc(I)c(N)c(N2CCC(Nc3ccc(F)cc3)CC2)n1 2325824604 IZRIHRBOCDQJHZ-UHFFFAOYSA-N 427.265 3.192 0 50 IGAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 2748660 WHWIFFFHCBTEIJ-ZIAGYGMSSA-N 425.312 3.461 0 50 IGAA CC[C@@H](COC)NC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 11791274 KKJPETAGNWOHCZ-FQEVSTJZSA-N 439.556 3.329 0 50 IGAA CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)c5c(F)cccc5F)n4CC3)[C@@H]1C2 12079597 NHMPLVPRUFCALO-IRXDYDNUSA-N 441.526 3.337 0 50 IGAA O=C(Cc1cccc(Cl)c1)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 12098645 BZNHVEXZNWCJPI-HXUWFJFHSA-N 427.932 3.248 0 50 IGAA Cn1cc(-c2nn(S(=O)(=O)c3ccc(Cl)cc3)c(-c3cnn(C)c3)c2Cl)cn1 20617884 BKVDMYJUEFWRAL-UHFFFAOYSA-N 437.312 3.228 0 50 IGAA COC(=O)C1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC1 55342419 LZDQJJUJZONHKI-UHFFFAOYSA-N 440.569 3.096 0 50 IGAA CCCn1ccc(CNC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)c1 170614366 RQAUAEXPJIJMFE-UHFFFAOYSA-N 444.557 3.112 0 50 IGAA O=C(NCCn1c(=O)oc2ccccc21)N1CCO[C@H](c2ccccc2Br)C1 170622285 PFRWGAVLAIGRSZ-SFHVURJKSA-N 446.301 3.140 0 50 IGAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1N1CCN(C)CC1 195712109 HOMMQCMHONOUHG-UHFFFAOYSA-N 425.920 3.380 0 50 IGAA COCCn1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 225419080 QFNSWZJJOKBLJS-CTNGQTDRSA-N 433.552 3.418 0 50 IGAA biogenic O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N[C@H]1CCCc2ccccc21 239439261 ZRFNUBFCHTXPSO-URXFXBBRSA-N 433.552 3.460 0 50 IGAA CN(Cc1nccn1C)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O 299766956 FIZMVNPMBSJGPE-HSZRJFAPSA-N 442.947 3.062 0 50 IGAA COc1c2occc2c(OC)c2c(=O)cc(C(=O)NC[C@@H]3CCN(CC(C)C)C3)oc12 670457671 ILSKDKDSORNGRU-AWEZNQCLSA-N 428.485 3.264 0 50 IGAA NC(=O)[C@]1(c2ccccc2)CCN(Cc2nc(-c3ccc(Br)s3)no2)C1 1460252649 ZWUZULXTWFCSQT-GOSISDBHSA-N 433.331 3.190 0 50 IGAA O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 1464032688 UGXWUQZEEQUHJQ-GOSISDBHSA-N 433.842 3.096 0 50 IGAA CC(=O)N1C[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)C[C@@]2(CCc2ccccc2)C1 1772808174 HSKQODJHUCHCLZ-SIKLNZKXSA-N 432.973 3.442 0 50 IGAA O=C(NCc1cc(COc2ccccc2F)on1)N1CCc2c(nnn2-c2ccccc2)C1 1875359022 RDUPJGWBPSCHRP-UHFFFAOYSA-N 448.458 3.241 0 50 IGAA CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 8856152 ZLHIGOSGHWFMJF-NRFANRHFSA-N 436.508 3.134 0 50 IGAA C/C=C(\C)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 11973981 PCEZKUQSQKQGKE-LDCDQMDXSA-N 429.565 3.359 0 50 IGAA CCc1cc(C(=O)NCc2cc(NC(=O)c3ccc(F)cc3)cc(C(=O)OC)c2)no1 14879979 GACSBKULCWVCRU-UHFFFAOYSA-N 425.416 3.345 0 50 IGAA COc1cc(CNCCc2cscn2)ccc1OC[C@H](O)CN(C)C1CCCCC1 14958321 CRPWSSWAVMRXGO-OAQYLSRUSA-N 433.618 3.488 0 50 IGAA CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 22446685 VZYCZNZBPPHOFY-UHFFFAOYSA-N 446.642 3.177 0 50 IGAA biogenic,world CN(CCc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 23128746 XITYPUBCBVZSNN-UHFFFAOYSA-N 433.622 3.055 0 50 IGAA COc1cc(CNCC(C)(C)CN(C)C)ccc1OC[C@@H](O)CN1CCCCCCC1 55109068 HARNPZNMGABZOU-QFIPXVFZSA-N 435.653 3.378 0 50 IGAA COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(C(=O)c2ccco2)CC1 169681395 XTHHNRYHEDUPDN-KRWDZBQOSA-N 425.529 3.365 0 50 IGAA O=C(CCN1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)N1CCOCC1 225844771 IOUCFRLTBKMWJB-UHFFFAOYSA-N 443.975 3.290 0 50 IGAA COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccc(C)cc1 248162839 PWKJWSNJXRSQCX-NEWJYFPISA-N 444.531 3.490 0 50 IGAA O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 495026402 FQBKILIQJLCWTD-RTBURBONSA-N 430.545 3.463 0 50 IGAA O=C(N[C@H]1CCCN(c2ccc(Br)cc2)C1=O)c1cncc(C(F)(F)F)n1 1857530320 DXBJLQKYWANCQN-LBPRGKRZSA-N 443.223 3.183 0 50 IGAA O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325701871 KNEVFMHFMRONQD-HXUWFJFHSA-N 446.479 3.332 0 50 IGAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1=O 2325819876 SRXJLVCVHMEPBL-CZUORRHYSA-N 438.908 3.035 0 50 IGAA CC1=C(C(=O)OCc2ccco2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 844427 CKIMMJBJLKRVGO-INIZCTEOSA-N 435.230 3.142 0 50 IGAA Cc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCCCCC1 4010663 WVHGPYJSAOJXSG-UHFFFAOYSA-N 428.620 3.433 0 50 IGAA Cn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccccc1F 9264503 VCLVUBAINDBTJU-UHFFFAOYSA-N 429.496 3.201 0 50 IGAA O=c1c(CN[C@H]2CCS(=O)(=O)C2)cc2ccc(Cl)cc2n1CCc1ccccc1 11999682 KMLUCFAAGUKLSX-FQEVSTJZSA-N 430.957 3.174 0 50 IGAA Cc1noc(C)c1CC(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14542307 UECQQEAFWDCESB-JOCHJYFZSA-N 439.556 3.423 0 50 IGAA COC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C 14746254 ZHUOHOHWVYIXTO-FQEVSTJZSA-N 430.593 3.194 0 50 IGAA C[C@H](c1ccccn1)N(C)C(=O)c1cc(NCc2ccoc2)cc(S(=O)(=O)N(C)C)c1 14753245 HCHPQSRSEMLXMH-MRXNPFEDSA-N 442.541 3.370 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 15066485 GIPWRVYWOZCMOB-RUZDIDTESA-N 443.588 3.103 0 50 IGAA COc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(OC)c1OC 39442676 DGIQGCFJWCSHPX-JOCHJYFZSA-N 428.573 3.214 0 50 IGAA COc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)cc1OC 101231394 IKZNZEYOBMHSDD-ABSDTBQOSA-N 444.553 3.204 0 50 IGAA CN1O[C@@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@H]1c1ccccc1 252428334 YOBHRCYOLKLIKZ-KFWWJZLASA-N 440.809 3.077 0 50 IGAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ccc(Cl)cc2)CC1 263615550 CYPGCCXLZXIVIW-HXUWFJFHSA-N 441.894 3.305 0 50 IGAA O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 464299544 XHAUDJXPDVDFCL-IBGZPJMESA-N 439.343 3.623 0 50 IGAA Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 476528036 ZGPHUUFBZIGZOU-ZDUSSCGKSA-N 429.322 3.421 0 50 IGAA Cc1nc(S(=O)(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cn1C 1875253427 VEIIXUQCXXQVIL-NSHDSACASA-N 427.452 3.281 0 50 IGAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]1Cc2cc(Br)ccc2O1 1875343982 ARSFXRNOLFXIOM-RHSMWYFYSA-N 437.359 3.385 0 50 IGAA O=S(=O)(c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 863589 LOIIBSIZXQGYMO-UHFFFAOYSA-N 449.381 3.079 0 50 IGAA O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 2733938 UQDXUYJOVFMIHB-UHFFFAOYSA-N 445.976 3.488 0 50 IGAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(Cc2ccccc2)CC2CCC2)c1 11933644 JRWVYVZGXLCQIJ-XMMPIXPASA-N 435.568 3.215 0 50 IGAA COC(=O)c1c(NC(=O)C2CC2)c2cc(N[C@H](C)CCO)cnc2n1Cc1ccccc1 14540632 WTEYAVBJMDSXJQ-OAHLLOKOSA-N 436.512 3.403 0 50 IGAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1)C2 14991273 YVDJFEVOOQFHED-JPYJTQIMSA-N 441.547 3.371 0 50 IGAA O=C(OCc1cc2ccccc2[nH]c1=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 225572404 JNXMBTMWBLWECZ-UHFFFAOYSA-N 426.372 3.147 0 50 IGAA COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc2)c1 239275157 BGGHSYCQLMCMBU-PPMYUTJDSA-N 428.488 3.353 0 50 IGAA Cc1c(C)[n+]([O-])c([C@@H](c2ccccc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263588553 VQRULAANLTVOAP-FQEVSTJZSA-N 434.492 3.371 0 50 IGAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ccccc2Cl)CC1 263616953 LJAQDGVGZMPUDU-HXUWFJFHSA-N 441.894 3.305 0 50 IGAA CC(C)(C)NC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263619620 ZQKZRDVOQURXQX-IBGZPJMESA-N 428.508 3.061 0 50 IGAA O=S(=O)(Nc1ccc2nc(Cl)sc2c1)c1ccc(N2CCCS2(=O)=O)cc1 328595993 MQNZJSAKFYQREB-UHFFFAOYSA-N 443.959 3.290 0 50 IGAA CN(C)c1ncc(CN2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)n1C 952891713 BQEJQLIHFBKHEF-LJQANCHMSA-N 438.429 3.381 0 50 IGAA C[C@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)c1ccc(S(C)(=O)=O)cc1 1302597227 UEQSZLRAXGHDGB-LLVKDONJSA-N 436.331 3.262 0 50 IGAA COc1cc2nc(CSCC(=O)Nc3cccc(C(C)=O)c3)nc(O)c2cc1OC 1775971963 PEYBFMPDNGZVAD-UHFFFAOYSA-N 427.482 3.427 0 50 IGAA CSCC(=O)N1C[C@@H]2CN(c3ccnc4ccc(Cl)cc34)C[C@]2(CCC(=O)O)C1 1800411094 FGZINKPLWKTTIF-LHSJRXKWSA-N 433.961 3.381 0 50 IGAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)(c2ccccc2)CC1 1875369604 YFBIGIRVYQSYJW-UYAOXDASSA-N 426.557 3.169 0 50 IGAA O=S1(=O)NC(CN2CCOC[C@H]2c2ccc(C(F)(F)F)cc2)=Nc2ccccc21 2325862252 NYZBPYHMDDDMFV-INIZCTEOSA-N 425.432 3.101 0 50 IGAA CO[C@@H]1CCC[C@H]1C(=O)N=[S@]1(=O)CCCN(C(=O)CCCc2cccs2)CC1 2332238491 AUCZPSRGTBCGER-AYEUKFJJSA-N 426.604 3.113 0 50 IGAA COc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1110829 GLTXTKFSVSWEKF-IRXDYDNUSA-N 437.315 3.070 0 50 IGAA NC(=O)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 4241962 MUNGLNMRFZUOTD-JOCHJYFZSA-N 430.460 3.320 0 50 IGAA O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 5062914 ZZKOOGWJNMTLMM-QHCPKHFHSA-N 446.503 3.384 0 50 IGAA O=C(Nc1ccc(N2CCCC2)cc1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 11859438 YBPFUOAEKHJLFT-UHFFFAOYSA-N 433.917 3.259 0 50 IGAA Cc1cccc(CN2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)c1 11913624 NFOVGRGHQRCQEM-BKMJKUGQSA-N 448.567 3.228 0 50 IGAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)CC1 12079786 YJVITWAGTIGJRH-QGZVFWFLSA-N 442.585 3.199 0 50 IGAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(CCC(C)C)cc(C(=O)NC3CCCC3)c2=O)C1 14885139 ZQQDSAXTLZFDQP-HXUWFJFHSA-N 444.620 3.123 0 50 IGAA COCCN(Cc1cc2ccc(Cl)cc2nc1N1CCOCC1)C(=O)c1cncs1 14992088 IZUVKLJIDKZIOE-UHFFFAOYSA-N 446.960 3.470 0 50 IGAA Cc1nc2ncnn2c(C)c1CCC(=O)N(C)[C@@H]1CCCN(CCCc2ccccc2)C1 23129444 USPUFGUSXZUQRF-JOCHJYFZSA-N 434.588 3.229 0 50 IGAA CN1CCC(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 65363317 ZCZLHPAMCVJDHU-UHFFFAOYSA-N 435.977 3.130 0 50 IGAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101732967 KVCGNHWBXWQDEU-IUYKVNQZSA-N 425.710 3.461 0 50 IGAA CN(C)c1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1 169778062 UPYAKAWHTNOFQL-LJQANCHMSA-N 429.484 3.148 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)cc1 229752939 JFVOZNBTVCDDRN-ODONZCLLSA-N 448.585 3.063 0 50 IGAA COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc2ccccc2c(=O)c1O 253400874 FEMRQYKBFMFDSV-OAHLLOKOSA-N 442.420 3.136 0 50 IGAA biogenic CC(C)C[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N1CCC[C@H]1C(=O)O 253487244 HHOKJKXMUMDSCD-YTQUADARSA-N 444.532 3.319 0 50 IGAA Cc1n[nH]c(C)c1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 263587519 HROVAQLKIIJONG-IBGZPJMESA-N 425.533 3.270 0 50 IGAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2CCc2nc3ccccc3n2C)cc1 299785597 KTRQSEKIXHFOJH-HXUWFJFHSA-N 434.540 3.073 0 50 IGAA Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)nn1-c1ccc(Br)cc1 1775988828 KXHKSNNUIJFUNW-RIFZZMRRSA-N 447.377 3.302 0 50 IGAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]3OCCc4ccccc43)CCSCC2)o1 1776111414 VIVDGTKJSPDPDT-LJQANCHMSA-N 429.538 3.239 0 50 IGAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1I 1116422 LANGRDHDIJCCCB-UHFFFAOYSA-N 436.249 3.016 0 50 IGAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 12048949 REEHSJVHPZVRAT-CQSZACIVSA-N 449.433 3.319 0 50 IGAA Cc1ccccc1Cc1c(C(=O)NCc2ccon2)c(=O)cc(C)n1Cc1ccccn1 12099738 DIKPISBUXCYDGT-UHFFFAOYSA-N 428.492 3.417 0 50 IGAA O=C1CC[C@@H](CC(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)N1 12713544 WFZJBXMQUBKJQF-QHCPKHFHSA-N 439.600 3.155 0 50 IGAA Cc1ccc(-n2cc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(-c3cccc(C)c3)n2)cc1 15073185 RQYUGAOROPLBPU-HSZRJFAPSA-N 439.581 3.138 0 50 IGAA Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 23129317 AQTBCYOBSYJUNM-CQSZACIVSA-N 431.512 3.476 0 50 IGAA CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 170602462 FOIXYSUFAAVNIR-YLJYHZDGSA-N 435.540 3.105 0 50 IGAA CN1O[C@@H]2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@@H]1c1ccccc1 221617623 YOBHRCYOLKLIKZ-KKUMJFAQSA-N 440.809 3.077 0 50 IGAA COc1cc(NC2CCN([C@H](C)c3nc(N)nc(=Nc4ccccc4)[nH]3)CC2)cc(OC)c1 431004600 HWJFZDJQMLFLNN-MRXNPFEDSA-N 449.559 3.274 0 50 IGAA Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3c(I)cnn3C)o2)cc1 796598835 UAEGPQXAOJTMAP-SNVBAGLBSA-N 438.225 3.301 0 50 IGAA CS(=O)(=O)CC1(CN2CC[C@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)CC1 952894166 QEJJDAXUXCCRFM-SFHVURJKSA-N 447.454 3.206 0 50 IGAA COc1ccccc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857676171 LAWAPKWNXMGFDU-QFIPXVFZSA-N 428.504 3.105 0 50 IGAA O=C(CCc1cn[nH]c1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857703342 ZWULDLCWIINIIT-QFIPXVFZSA-N 438.572 3.357 0 50 IGAA CC(C)C[C@@H]1CC=CCNCCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@H](CNC1=O)C2 2325894037 OXGRLSBJNYMMSG-QZNHQXDQSA-N 429.580 3.476 0 50 IGAA CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 630753 UQNYKRMDNPPLOR-HXUWFJFHSA-N 430.570 3.371 0 50 IGAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 634501 MYMKNVDGOFTHMX-UHFFFAOYSA-N 440.477 3.258 0 50 IGAA O=C(NCCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 784123 FVAYJWHUHWFVPF-JOCHJYFZSA-N 426.513 3.491 0 50 IGAA CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 1123579 CNPDUZXBGKZSKG-UHFFFAOYSA-N 447.738 3.370 0 50 IGAA CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 3459044 IVYKAVMWXQNGAL-UHFFFAOYSA-N 434.583 3.172 0 50 IGAA CCn1ccnc1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11935716 MNCXKLSXYRDZNW-UHFFFAOYSA-N 430.556 3.382 0 50 IGAA Cn1cc(CN2CC(=O)N(CCc3ccccc3)C[C@@H](OCc3cccc(F)c3)C2)cn1 14745307 CKJMVKPSYWLJAW-DEOSSOPVSA-N 436.531 3.032 0 50 IGAA COC(=O)c1sc2nc(CN3CCC[C@@H](O)C3)ccc2c1NC(=O)c1ccccc1 15004092 JSIDILKILOOREB-MRXNPFEDSA-N 425.510 3.292 0 50 IGAA COc1ccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@](O)(C(F)(F)F)C2)cc1 16448509 SQBGGYZSCPEJKU-HXUWFJFHSA-N 436.386 3.244 0 50 IGAA Cn1nccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@H](C(C)(C)C)C2 17097170 JYEAEWYDDHNXKN-AWEZNQCLSA-N 430.574 3.357 0 50 IGAA COc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1 18180690 AJICKGVVUBXOLC-LJQANCHMSA-N 434.323 3.456 0 50 IGAA Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1 20782855 JXEOTBPZPSZBJN-HSZRJFAPSA-N 432.572 3.475 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 227303057 OMYCOSYSHAPXGK-FBAVSBLXSA-N 442.302 3.425 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 229900635 QXYIDKKHZBJMFP-QNFHRHJVSA-N 442.302 3.425 0 50 IGAA Cc1ccc([C@@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)[C@H](C)S(C)(=O)=O)cc1 241124214 JGLDUGMXUNUHLW-KKSFZXQISA-N 426.542 3.376 0 50 IGAA O=C(NCc1cccc(Br)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263617707 PGGWTOKPNQSQBH-KRWDZBQOSA-N 431.265 3.381 0 50 IGAA Cc1ccccc1Cc1nnn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 435139667 POYJYFQCKLTXPO-HXUWFJFHSA-N 433.512 3.097 0 50 IGAA C[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccc(OCC2CC2)c(F)c1 468713863 IIKXWTYQVGVQPS-OAHLLOKOSA-N 447.532 3.053 0 50 IGAA CCn1c([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)nc2ccccc21 746019166 LQHXUGMDXOVKJX-CDXJDZJCSA-N 436.512 3.005 0 50 IGAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2ccc(F)cc2)C1 1857707283 LNHCCPOWUWBRFD-NMVJMZGASA-N 431.596 3.087 0 50 IGAA COc1ccc2c(c1)[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)CCC2 2325732658 YDFGCUAZACBGGG-RTWAWAEBSA-N 429.948 3.261 0 50 IGAA CCc1c(C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)oc2ccccc12 2325896015 OSAFULFUPGGISL-GOSISDBHSA-N 431.448 3.009 0 50 IGAA CCOc1ccc(Cn2cc(NS(=O)(=O)c3cn(CC)nc3C)cn2)cc1OCC 2793765 COHSXYCCVYVYGU-UHFFFAOYSA-N 433.534 3.054 0 50 IGAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1I 2840907 DUNVBEFEYDEGIH-UHFFFAOYSA-N 442.278 3.435 0 50 IGAA CC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 2962473 AVQAIGIDNMSEAV-KRWDZBQOSA-N 434.558 3.431 0 50 IGAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc2c([nH]c1=O)CCCC2 11933626 XMVPHQNYMSUORO-UHFFFAOYSA-N 425.548 3.420 0 50 IGAA Cc1c(C(=O)N2CCCN(C=O)CC2)sc2ncnc(NCCCc3ccccc3)c12 12035898 NAFJSDSNSPRSEI-UHFFFAOYSA-N 437.569 3.349 0 50 IGAA COCCN(Cc1ccc(OCCO)cc1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12703175 GJIGHVWXCRSKRK-QHCPKHFHSA-N 438.612 3.386 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1cccc2[nH]ccc12 67542027 VNPQMJXVQKZCSC-HXUWFJFHSA-N 444.457 3.194 0 50 IGAA CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 100578576 DEKMGVZQOOXCLR-QFIPXVFZSA-N 425.504 3.459 0 50 IGAA COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 170601810 FVTDKIMWCAIGMR-CQSZACIVSA-N 425.514 3.239 0 50 IGAA CCCCON1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 252320813 UPYPGWHUZDBGJN-XOMSJCKQSA-N 441.138 3.394 0 50 IGAA C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)C1 1875260348 PLHQIBLNUKKQDB-AUSIDOKSSA-N 428.598 3.191 0 50 IGAA Cc1ncn(-c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccc(Br)cn3)cc2)c1C 2325737230 NBCWMAAEJCSFGB-CYBMUJFWSA-N 442.317 3.404 0 50 IGAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)CC1=O 2325820062 ZAZVRJAXCYQXMK-PWSUYJOCSA-N 447.365 3.470 0 50 IGAA COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nnc2c3ccccc3c(C)nn12 1118228 UJPFTIBVWDRXKZ-UHFFFAOYSA-N 425.514 3.338 0 50 IGAA NC(=O)c1c(NC(=O)CSc2nnc3sc4ccccc4n23)sc2c1CCC2 1895063 YLZSVHJZOOIRFM-UHFFFAOYSA-N 429.552 3.324 0 50 IGAA Cc1cc(C)n(Cc2ccc(NC(=O)c3nn(C)cc3I)cc2)n1 2749241 PPHXBXAEULCMAR-UHFFFAOYSA-N 435.269 3.139 0 50 IGAA COc1ccc(OC)c(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)c2)c1 2882266 HXOZSKZMRXEFMR-IHZKEXMGSA-N 436.464 3.092 0 50 IGAA CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)N[C@@H](C(=O)OC)c1ccccc1 2884853 FHOXDLLMWGBVCM-ZWKOTPCHSA-N 449.536 3.418 0 50 IGAA CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O 9935474 HMNUBHJAVIWTSN-UHFFFAOYSA-N 430.302 3.201 0 50 IGAA CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 12025221 DPPCKZDMLOPGIT-HXUWFJFHSA-N 429.471 3.335 0 50 IGAA COc1cccc(CCNc2ncnc3sc(C(=O)N4CCC[C@H]4CO)c(C)c23)c1 12048751 VBIVNQRNKOYMHZ-INIZCTEOSA-N 426.542 3.260 0 50 IGAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)c(Cl)c1 12588934 JDABFFBWCPUABN-UHFFFAOYSA-N 443.931 3.329 0 50 IGAA Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 13681196 VCOVKBQVPOALTM-SFHVURJKSA-N 443.569 3.333 0 50 IGAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14733553 CRLBYWQAOFDJFV-UHFFFAOYSA-N 433.552 3.481 0 50 IGAA COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C3CCOCC3)CC2=O)cc1 19224487 ZUSQRWMSXCHJKG-HSZRJFAPSA-N 442.531 3.243 0 50 IGAA O=S(=O)(c1cccc2nonc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19834647 HYYHQNZLYOJHEZ-UHFFFAOYSA-N 434.521 3.319 0 50 IGAA Cc1cc(C)n(CCC(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n1 55166318 GWRIBCPZZOSIGZ-QFIPXVFZSA-N 429.996 3.357 0 50 IGAA c1ccc([Sn](c2ccccc2)(c2ccccc2)N2CCCCC2)cc1 169817555 LYUKBCWVRKXSSW-UHFFFAOYSA-N 434.171 3.139 0 50 IGAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 170639273 KNYIJMKZUJYMRB-INIZCTEOSA-N 428.920 3.136 0 50 IGAA COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc2)c1 239275158 BGGHSYCQLMCMBU-RCTKEMKKSA-N 428.488 3.353 0 50 IGAA COCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 245256147 ODLBDCCZZVJIMA-LDVJMBRRSA-N 430.504 3.100 0 50 IGAA CC(C)(C)OC(=O)[C@H]1C[C@@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)[C@H](O)C1 252535950 HHMMLGATHJCXOW-YQQAZPJKSA-N 434.533 3.332 0 50 IGAA CCc1cc2c3c(c1)C(CN1CCN(C(=O)c4ccco4)CC1)=CC(C)(C)N3C(=O)C2=O 253495395 BXYJDOTUJMBPLX-UHFFFAOYSA-N 433.508 3.005 0 50 IGAA CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1c(OC)cccc1OC 328597119 DQOQYORIMZAOLD-KRWDZBQOSA-N 431.514 3.163 0 50 IGAA O=C1CNC(=O)c2ccc(C(=O)Nc3ccc4nc(-c5cc(F)ccc5F)[nH]c4c3)cc2N1 431326518 NCGQLXXRVXOQMZ-UHFFFAOYSA-N 447.401 3.442 0 50 IGAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 827926903 MAUDIGDIUPFLBZ-IBGZPJMESA-N 428.554 3.037 0 50 IGAA COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)ccc2c(C)cc(=O)oc12 1857526357 CGMUOCLNQHLHRR-QGZVFWFLSA-N 431.444 3.373 0 50 IGAA O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857729492 NZIKJVMKUZMDLK-RDGATRHJSA-N 428.492 3.103 0 50 IGAA CCOC(=O)CN(C(=O)c1cc(-n2ccnc2C)nc2ccccc12)c1ccc(F)cn1 1875264982 XVRSSJCXTXDZBK-UHFFFAOYSA-N 433.443 3.473 0 50 IGAA O=C(N=[S@]1(=O)CCCN(C(=O)c2cn(-c3ccccc3)cn2)CC1)[C@@H]1Cc2ccccc21 2332238508 BCBFEVCHLLBLFR-KTBRYMIGSA-N 448.548 3.053 0 50 IGAA CCCC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC(C)(C)C)=C(N)O1 759164 MJBOZHIKDREMEW-HSZRJFAPSA-N 428.485 3.036 0 50 IGAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 795365 ICSIMBTXUHTSTH-UHFFFAOYSA-N 439.497 3.124 0 50 IGAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 906359 GPHLAGJTUFOROM-SFHVURJKSA-N 426.450 3.322 0 50 IGAA CC(C)CNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2938506 NSOKZEFLCBWWQF-UHFFFAOYSA-N 439.375 3.412 0 50 IGAA COc1ccc(CCNC(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC 8743062 WKBNNYBQXQGYRD-UHFFFAOYSA-N 432.476 3.202 0 50 IGAA Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 8867201 ZYMOPYQZMQNHRK-UHFFFAOYSA-N 432.615 3.275 0 50 IGAA COCCn1c(CN2CCC[C@@H](CCCO)C2)cnc1S(=O)(=O)C1CCCCCC1 11663522 JVABQSBUOZPIEH-IBGZPJMESA-N 441.638 3.011 0 50 IGAA O=C(NC1CCCCCCC1)c1cn(C[C@@H]2CCCO2)cc(C(=O)N2CCCCC2)c1=O 12208837 SYEVTWMYSLWTKE-FQEVSTJZSA-N 443.588 3.496 0 50 IGAA CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)CN1CCCC1=O 15065600 IWTZCSVGOQTDSR-SFHVURJKSA-N 425.495 3.041 0 50 IGAA Cc1ccc(CSCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 15823035 AXFRZSDJSONZDT-UHFFFAOYSA-N 426.991 3.464 0 50 IGAA COC[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(C3CCCC3)C2=O)C1 19836590 DJELQQHSUSSZAI-KBMIEXCESA-N 426.557 3.209 0 50 IGAA Cc1c(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c(=O)n(-c2ccccc2)n1C 19838685 ARPPWFFZPZVPDS-RUZDIDTESA-N 445.611 3.271 0 50 IGAA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)N4CCCN4[C@H]3C2=O)cc1 138556280 FYBURPFRPOJVPT-IPMKNSEASA-N 426.314 3.293 0 50 IGAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2CC)C2=C1C(=O)OC2 169758118 IMTMJUFCSSIXNF-JOCHJYFZSA-N 435.480 3.164 0 50 IGAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4c[nH]c5ccccc45)ccn3n2)c1 169777089 BWMUDDQHZAQEIV-UHFFFAOYSA-N 441.491 3.012 0 50 IGAA CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1 214547129 ZQPDJCIXJHUERQ-QWRGUYRKSA-N 432.887 3.121 0 50 IGAA O=C1N[C@@H](C(F)(F)F)CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 225408604 KJLKZUONPNCEJU-DXEZIKHYSA-N 448.445 3.074 0 50 IGAA COc1ccc(S(=O)(=O)N2CC(c3nc(Cc4ccc(Cl)cc4)no3)C2)cc1F 227155385 FPTPKUFQKQNIPJ-UHFFFAOYSA-N 437.880 3.250 0 50 IGAA O=C(NC1CCC2(CCOCC2)CC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 438473502 DVAFBDBXKWXOIS-QGZVFWFLSA-N 426.604 3.147 0 50 IGAA O=C1CCCN1c1cccc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)c1 2356152412 HYJUKEAOSUBCGC-RUZDIDTESA-N 432.524 3.006 0 50 IGAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Br 672572 LOQTXVBEPRMCEM-UHFFFAOYSA-N 439.331 3.495 0 50 IGAA COC(=O)c1cccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 1023003 MNNKCAGWGOTUKW-UHFFFAOYSA-N 426.384 3.442 0 50 IGAA CC[C@H](OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)c1ccccc1 1154871 LMNKGXDUBQXMRL-INIZCTEOSA-N 430.254 3.250 0 50 IGAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 6268792 YPTZMKAFLWTKSC-UHFFFAOYSA-N 437.521 3.283 0 50 IGAA CCN(CCn1cccn1)Cc1ccc(OC)c(OC[C@H](O)CN2CCCCCCC2)c1 11843262 FGTAXCFRJSZZHL-HSZRJFAPSA-N 444.620 3.420 0 50 IGAA COCc1ccc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)o1 12454483 NFWITHQRSSJDRN-UHFFFAOYSA-N 449.979 3.414 0 50 IGAA O=C(c1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1)N1CCC[C@H](O)C1 12470599 OBEJSHXSVZOQQD-NRFANRHFSA-N 429.511 3.320 0 50 IGAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCCN(c2nc3ccccc3s2)CC1 12579298 KTZCSZOSYCYMIH-UHFFFAOYSA-N 436.516 3.428 0 50 IGAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12836512 VWUAFQXMNDWGJX-VXFXUCHBSA-N 435.480 3.350 0 50 IGAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1 12837018 JCSHTHVEUQSIBX-ZDUSSCGKSA-N 427.810 3.037 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(C)cc1 13591014 SLXLNCGIXBHXDF-UBXANZILSA-N 436.508 3.246 0 50 IGAA O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCCN(Cc2cccnc2)CC1 15074176 RQQZSYHFNDLXBQ-UHFFFAOYSA-N 428.439 3.275 0 50 IGAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3c(C)nc4sccn34)C2)CC1 15076583 KCDHHAZAQYMVFG-GOSISDBHSA-N 439.585 3.140 0 50 IGAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1OC 15659552 NOQGDMNLWXQGAW-FGGAIWKESA-N 448.544 3.115 0 50 IGAA COC[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(C3CCCC3)C2=O)C1 19836592 DJELQQHSUSSZAI-UQBPGWFLSA-N 426.557 3.209 0 50 IGAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)CN(Cc2ccc3ccccc3c2)C1 23354108 YESMBSLPNHDLSP-ZEQKJWHPSA-N 436.644 3.298 0 50 IGAA COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c1OC 65362186 AUPQANSLLVEIOL-KRWDZBQOSA-N 448.527 3.452 0 50 IGAA Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1 769328149 UMTMGRRXDFRHCY-OAQYLSRUSA-N 442.512 3.158 0 50 IGAA O=C1COc2ccc3c(c2)CCN(C(=O)c2ccncc2)[C@H]3c2cccc(c2)OCCCN1 952862939 NVTOJFGHGBVJAJ-VWLOTQADSA-N 443.503 3.147 0 50 IGAA Cc1cc(-c2ccc(S(=O)(=O)N3C[C@H]4CNC[C@@]4(CCc4ccccc4)C3)o2)on1 1772710092 OGMCUJUZQJGHCM-GCJKJVERSA-N 427.526 3.086 0 50 IGAA COc1ccccc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857676168 LAWAPKWNXMGFDU-JOCHJYFZSA-N 428.504 3.105 0 50 IGAA Cc1cccc(C(F)(F)CNC(=O)COCC(=O)NCC(F)(F)c2cccc(C)c2)c1 2325726191 OIOCGOHNQOOZDS-UHFFFAOYSA-N 440.437 3.436 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(OC)c2OC)c(OC)c1 644379 UZYHFRIPDDOBLJ-LJQANCHMSA-N 443.525 3.153 0 50 IGAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 1096428 BKYYYYQXGOETKP-UHFFFAOYSA-N 436.493 3.039 0 50 IGAA COc1ccccc1CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 1113183 RQHWTTAQJVAGIC-UHFFFAOYSA-N 442.512 3.342 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc2c(c1)OCO2 1217864 LXNPOAMAGZKKCO-UHFFFAOYSA-N 448.460 3.412 0 50 IGAA Cc1cc(=O)c(C(=O)NC(C)(C)CO)c2n1-c1ccccc1S[C@H](c1ccccn1)C2 12133017 KJXKOPKRPYRDRR-NRFANRHFSA-N 435.549 3.431 0 50 IGAA CC(=O)Nc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 13936055 BTMCGSNAPVECCS-UHFFFAOYSA-N 442.526 3.045 0 50 IGAA C[C@@H](NC(=O)c1nn(CCO)c2c1CN(CCCc1ccccc1)CC2)c1ccccc1 14535249 IUFHIZHYWXSSBV-HXUWFJFHSA-N 432.568 3.357 0 50 IGAA C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 14966022 YLTMAXAQUMTXBD-KRWDZBQOSA-N 439.510 3.425 0 50 IGAA COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C3CCOCC3)CC2=O)cc1 19224484 ZUSQRWMSXCHJKG-QHCPKHFHSA-N 442.531 3.243 0 50 IGAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 44920958 XMXOBVZGAZIFCM-UHFFFAOYSA-N 426.879 3.052 0 50 IGAA CCNc1cc(C)nc(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)n1 72441397 KYSHTWYYLKWOPI-UHFFFAOYSA-N 433.516 3.070 0 50 IGAA C[C@@H]1CN(Cc2ccc(F)cc2)CCN1[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 241157241 JWAPOVIXOLWCAB-WOJBJXKFSA-N 440.563 3.196 0 50 IGAA C[C@H](Cn1cnnc1)NC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1875261941 QUHQOYPSDSYTDI-XMSQKQJNSA-N 438.963 3.437 0 50 IGAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)COc2ccc(C(N)=O)cc2)cc1 1875262650 HLBNGHBQVORZFN-XMMPIXPASA-N 432.520 3.489 0 50 IGAA Cc1cc(F)cc(C)c1S(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875301116 ADSIXSRHZOTEGK-INIZCTEOSA-N 446.422 3.425 0 50 IGAA O=C(NCCN(Cc1ccccc1)c1ccccn1)NCc1nc(O)c2ccccc2n1 1875301982 ZWKKFHUBDBCUFR-UHFFFAOYSA-N 428.496 3.236 0 50 IGAA C[C@H](NC(=O)[C@H](O)Cc1c(F)cccc1Cl)[C@H](O)c1ccc(Br)cc1 2325741330 UYDDGLHNQDISPC-HKJPBSJPSA-N 430.701 3.383 0 50 IGAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2csc3ccccc23)CC1=O 2325819537 HYJVYZITXSKFQR-GOEBONIOSA-N 428.535 3.316 0 50 IGAA Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c12 646222 WHACIHVWIGLXJB-UHFFFAOYSA-N 446.532 3.378 0 50 IGAA COC(=O)c1c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 943810 YDTDHTQEGVLMIG-QGZVFWFLSA-N 426.494 3.283 0 50 IGAA CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(F)c1 9262629 RTSYHTAZSDBMBU-UHFFFAOYSA-N 443.504 3.358 0 50 IGAA COCC(=O)NCc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1 12332106 JPDITAFRLFHXCJ-UHFFFAOYSA-N 430.888 3.060 0 50 IGAA O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)[C@H]1CC=CC[C@H]1C(=O)O 13152977 IBGUAUZZMLDYFF-VQTJNVASSA-N 440.521 3.434 0 50 IGAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC(O)(c2ccc(Cl)cc2)CC1 15071962 DHZUFKNBFATHBE-OAQYLSRUSA-N 442.899 3.266 0 50 IGAA COc1ccc(-c2n[nH]cc2CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc1 15074074 XFDFUDQYBQYBSI-QFIPXVFZSA-N 426.561 3.373 0 50 IGAA O=C(NCCCO)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 16115104 OECMXANMDSLUHS-SFQUDFHCSA-N 437.721 3.372 0 50 IGAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)nn2)nc1 72139988 MXULJBRIMPZHAW-UHFFFAOYSA-N 438.557 3.051 0 50 IGAA Cc1nnc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1N 229486706 HLBBCGFTHPEAPI-KVDHOEOVSA-N 438.513 3.402 0 50 IGAA C[C@@]1(C2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)NC(=O)NC1=O 747992886 MUVFIYAXXXSCSU-VWLOTQADSA-N 428.492 3.352 0 50 IGAA NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 752764033 DDCLAPGCXDTXPT-ZDUSSCGKSA-N 441.871 3.051 0 50 IGAA Cc1ccc(CNC(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c(N(C)C)c1 1875264818 SYYAHVVUZRLKTM-KRWDZBQOSA-N 425.451 3.319 0 50 IGAA C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](OCc2ccccc2)C1 1875341120 HEHXMVXANUXBOS-PBHICJAKSA-N 426.908 3.138 0 50 IGAA C[C@@H](c1nc(-c2cccnc2)no1)N1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 2325728611 VEGYJAQHSHHMEI-IYBDPMFKSA-N 432.488 3.016 0 50 IGAA CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CCC[C@@H]2c2cc(F)ccc2F)CC1 2325818584 LJPQCVGOUFDBES-GOSISDBHSA-N 445.532 3.289 0 50 IGAA COc1cc(F)cc(S(=O)(=O)NC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)c1 2325829422 JOTSKYAYLRXOCB-GOSISDBHSA-N 441.431 3.164 0 50 IGAA COc1ccc(C)cc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O 1100082 VZVBTLFELMDRKU-UHFFFAOYSA-N 441.347 3.479 0 50 IGAA COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCCC1 1113823 OIZIGVJIJGIFGY-UHFFFAOYSA-N 437.525 3.436 0 50 IGAA CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 1184186 CEXNGBGOBZOYKB-GHXNOFRVSA-N 430.276 3.066 0 50 IGAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 4199419 ZCHBCMZMOAGBSG-CQSZACIVSA-N 432.567 3.105 0 50 IGAA O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 5608787 JNRHNGGTJOBXHL-GOTSBHOMSA-N 446.503 3.336 0 50 IGAA in-vitro Cc1cc(CNC(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)nn1C 12595608 MNGWVANHDYXFQN-IBGZPJMESA-N 430.556 3.207 0 50 IGAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)CCc2ccccn2)CC1=O 14531960 FXFIZXMAEYWVSQ-OAQYLSRUSA-N 427.520 3.066 0 50 IGAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(C)c1C 14990534 UFTKNLWOFRVHNH-UHFFFAOYSA-N 447.583 3.243 0 50 IGAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)ncn2)CC1 65364475 CINMTRLFGDUBSJ-UHFFFAOYSA-N 441.923 3.295 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2Cl)cc1 65364492 JHXFEOPHYSMRCT-UHFFFAOYSA-N 435.977 3.054 0 50 IGAA COc1ccc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)c(OC)n1 169760396 OEZNVIDVTVIZHU-UHFFFAOYSA-N 426.448 3.383 0 50 IGAA CC(C)(C)C(=O)N1CCC(C(=O)N[C@H](CC(=O)O)c2ccc(Br)cc2)CC1 170596800 JTEZNHAVRAZRML-MRXNPFEDSA-N 439.350 3.366 0 50 IGAA COC(=O)[C@@H]1CCc2c(nn(Cc3cccc(C(C)C)n3)c2I)C1 225824726 RDJNCRZSCCFTAY-GFCCVEGCSA-N 439.297 3.332 0 50 IGAA Cc1noc([C@@H]2CCCN(c3ncc(Cl)c(N4CCC[C@@H](c5nc(C)no5)C4)n3)C2)n1 302003599 YLNJRKVSHZFHKG-HUUCEWRRSA-N 444.927 3.281 0 50 IGAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 426242761 HXVKTYDOXBKGTB-XZTKBFAISA-N 448.394 3.380 0 50 IGAA Cc1ccc2nc(CNC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)[nH]c2c1 465192530 MJMHXLXVQFJNND-QGZVFWFLSA-N 428.439 3.394 0 50 IGAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)c12 764136945 UNRHEGSWYKFYJV-AWEZNQCLSA-N 446.385 3.494 0 50 IGAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 1857704080 CRGIJRMXFWHICW-MRXNPFEDSA-N 441.553 3.148 0 50 IGAA Cc1ccc(Oc2cc(CNC(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)ccn2)cc1C 1875254473 AXNKSDCVYVXDKG-SFHVURJKSA-N 443.507 3.445 0 50 IGAA Cc1nc(CCNC(=O)OC(C)(C)C)sc1C(=O)Nc1nnc2ccc(Cl)cn12 1875352229 YCEOEKCZTNJEDU-UHFFFAOYSA-N 436.925 3.467 0 50 IGAA CCOc1ccc(OCCN(C)C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)cc1 2356164745 FOSLMIINWKYBGA-RPWUZVMVSA-N 440.540 3.300 0 50 IGAA O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 915554 AZGBYUWGUIQSAH-UHFFFAOYSA-N 428.897 3.488 0 50 IGAA Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1S(N)(=O)=O 1772425 VYQZTFOMCAHQHA-UHFFFAOYSA-N 447.520 3.024 0 50 IGAA COC(=O)c1c(SCC(=O)Nc2cc(OC)cc(OC)c2)[nH]c2ccc(C)cc2c1=O 8619257 BIYCBSSRWBNWCX-UHFFFAOYSA-N 442.493 3.371 0 50 IGAA Cc1ccccc1N1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)CC1 11912958 GARWYQPCERTFLB-UHFFFAOYSA-N 438.572 3.086 0 50 IGAA CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCCC[C@H]3CCN3CCCC3=O)o2)s1 12090310 YQAHSHXXHOPVMV-INIZCTEOSA-N 444.557 3.327 0 50 IGAA CCC[C@@]1(C2CCN(C(=O)C(=O)[C@H](C)CC)CC2)NC(=O)N(CCc2cccs2)C1=O 12162523 LXNPBEZIYTVCAH-MWTRTKDXSA-N 447.601 3.235 0 50 IGAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)c1 12753616 RNJXJXNMJZENOO-HXUWFJFHSA-N 440.588 3.313 0 50 IGAA O=C(NC[C@@H]1CCC2(CCN(Cc3nc4ccccc4s3)CC2)O1)C1CCOCC1 14887135 MYQNVMAYMYTGNJ-SFHVURJKSA-N 429.586 3.353 0 50 IGAA O=c1/c(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)sc2nc3ccccc3n12 15769513 HPEZOSFBXVGHEU-ZHZULCJRSA-N 434.498 3.225 0 50 IGAA Cc1ccc(-n2nc(C)c(Cc3nc(CN4C(=O)NC(C)(C)C4=O)no3)c2C)cc1Cl 170595967 GLPXZEVRVUTCDL-UHFFFAOYSA-N 442.907 3.255 0 50 IGAA CCn1c(=O)c2ccccc2n2c(CN[C@H](CN(C)Cc3ccccc3)C(C)C)nnc12 225408026 MOWWBXSMUYFCCQ-OAQYLSRUSA-N 432.572 3.310 0 50 IGAA Cc1ccc(-c2nn3ccn(CC(=O)N[C@@H](C)CCc4ccccc4)c(=O)c3c2CO)cc1 263615534 CWGALVNPVNMYNW-IBGZPJMESA-N 444.535 3.101 0 50 IGAA O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC[C@H](CN3Cc4ccccc4C3=O)CC2)CC1 1775970680 BAOKPJGYTKHRDN-WGSAOQKQSA-N 435.524 3.026 0 50 IGAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 3033632 RTFPBEZTOGMADT-UHFFFAOYSA-N 426.513 3.376 0 50 IGAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 12436664 QLSFIVORGCPBGN-GTRUEHEQSA-N 444.487 3.278 0 50 IGAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCC[C@H](CCCO)C2)c1 12574107 UKEKWRKWTTUGIM-GOSISDBHSA-N 444.572 3.100 0 50 IGAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(N[C@H](C)C(C)(C)O)cnc2n1C 14744626 ODELTYPLAOYCEC-CYBMUJFWSA-N 440.500 3.192 0 50 IGAA COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@H](C)CCC=C(C)C)CC3)o1 14988914 FQIQFKBRFOAELE-GOSISDBHSA-N 429.565 3.188 0 50 IGAA COC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20024623 MBIKWKCJOBYLIT-UHFFFAOYSA-N 430.555 3.220 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1OC 65365417 GXGZQIBQOZQYOC-INIZCTEOSA-N 434.500 3.062 0 50 IGAA C[C@H]1CN(CCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)CCO1 170605516 KJXBJKQQVTUNNF-IRXDYDNUSA-N 427.574 3.418 0 50 IGAA O=C(O)c1cnc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1 201248567 VPOSFBGGNOFCCB-UHFFFAOYSA-N 430.464 3.246 0 50 IGAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)C(=O)[C@H]1C=CC=CC1 239030883 CNFNVPVYNITYEO-ZQRMIATASA-N 443.499 3.491 0 50 IGAA COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=NC(=O)N(C)[C@@H]32)cc(OC)c1OC 253470758 CLLOSEKQRVUUFS-HNAYVOBHSA-N 427.432 3.205 0 50 IGAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1 263619017 WMRWARQGEGXUAJ-UHFFFAOYSA-N 429.402 3.296 0 50 IGAA CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)cc1 328596230 XVPLXVBHAZULMN-UHFFFAOYSA-N 428.869 3.206 0 50 IGAA O=C1N=CC=C[C@@H]1c1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)n1 904754257 HJCNOBPKKDEADE-MRXNPFEDSA-N 429.465 3.255 0 50 IGAA Cc1c(NCC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cccc1C(N)=O 1321796870 BVUOGDKQKJWWBQ-UHFFFAOYSA-N 441.484 3.116 0 50 IGAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(Cc2ccc3ccccc3n2)CC1 2100555280 PBHDUCQFOCGTFV-UHFFFAOYSA-N 431.540 3.047 0 50 IGAA COc1ccc2nc(CCNC(=O)CC[C@]3(Cc4ccc(C)cc4)CCC(=O)N3)[nH]c2c1 12054526 OGQNTHDCKZXFED-RUZDIDTESA-N 434.540 3.210 0 50 IGAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O 14963304 PIEUAURXGPVARZ-QGZVFWFLSA-N 433.508 3.146 0 50 IGAA O=C(CCc1cnccn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 14975828 GZHHYKMUKNZXIZ-AREMUKBSSA-N 448.611 3.296 0 50 IGAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN(C)Cc1ccncc1 15067226 KWCFBJACHCJNDP-DEOSSOPVSA-N 438.616 3.325 0 50 IGAA NC(=O)CCN1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 19837878 UJIQYQSMPGLNGO-UHFFFAOYSA-N 443.551 3.338 0 50 IGAA Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O 169758030 QBLVNBRIFZLVCO-FQEVSTJZSA-N 425.872 3.473 0 50 IGAA CC[C@@H](C(=O)NCCn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O)c1ccccc1 169780208 GKUPMLGLOHAAKK-OAQYLSRUSA-N 430.508 3.482 0 50 IGAA C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C[C@@H](C)O1 242164667 WWWBEYALQBFSRS-BTTYYORXSA-N 435.373 3.030 0 50 IGAA Cc1noc(C[C@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c2ccccc2)n1 429529509 ROGZTSJAHRWQDV-INIZCTEOSA-N 427.530 3.462 0 50 IGAA CC(C)N1C(=O)CN(C(=O)c2ccc(I)cc2Cl)CC1(C)C 1457054452 QMFXDOJMZAGESQ-UHFFFAOYSA-N 434.705 3.416 0 50 IGAA O=C(NCCn1ncc2ccccc2c1=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 1875259072 XWFMECBJIJAJRB-JOCHJYFZSA-N 441.491 3.076 0 50 IGAA O=C(NCCn1ncc2ccccc2c1=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 1875259073 XWFMECBJIJAJRB-QFIPXVFZSA-N 441.491 3.076 0 50 IGAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2ccn(C)c12 1875321818 WWIUNZZCDDOCII-UHFFFAOYSA-N 427.468 3.373 0 50 IGAA O=C(NCc1cccc(C(=O)N2CCCCC2)c1)c1cncc(NCCC23COC(C2)C3)n1 1875361119 PYGIGYMWWMABEQ-UHFFFAOYSA-N 449.555 3.014 0 50 IGAA O=C(N[C@@H](CNC(=O)[C@@H]1CCCc2nc[nH]c21)c1ccc2ccccc2c1)c1cccnn1 1875361542 VBIFUDAUCKRNBV-KNQAVFIVSA-N 440.507 3.060 0 50 IGAA O=S1(=O)NC(CN2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)=Nc2ccccc21 2325862515 WXXLRCWPKFNLEJ-FQEVSTJZSA-N 427.917 3.033 0 50 IGAA NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCCC2 869801 HEUYOAFFVFTPOW-UHFFFAOYSA-N 426.464 3.459 0 50 IGAA in-vitro COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 2818313 KFTOVUNAKYAFGY-UHFFFAOYSA-N 431.341 3.127 0 50 IGAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 6491903 ASYSSWZLFXZAQJ-WUXMJOGZSA-N 430.276 3.066 0 50 IGAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)CCc2ccncc2)CC1=O 14541424 QERPANPRCUKTBP-QFIPXVFZSA-N 427.520 3.066 0 50 IGAA CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)s1 20453493 WBCYDNHQJLDDQT-CYBMUJFWSA-N 427.935 3.039 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)cc1 101325360 AVCQPHOVTUYGFG-BGYRXZFFSA-N 442.493 3.092 0 50 IGAA COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1F 169775710 BFUXILDALWVADT-UHFFFAOYSA-N 434.471 3.358 0 50 IGAA COc1ccnc(N2CCN(C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 170614618 AJNNWLJFALCNSV-PMACEKPBSA-N 448.489 3.049 0 50 IGAA Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c2c1C 208939192 UDSFKIFLJPECRN-UHFFFAOYSA-N 444.460 3.114 0 50 IGAA in-vitro Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2)n1 240471655 GDMHGZPAMCLMGT-XUZZJYLKSA-N 433.556 3.494 0 50 IGAA CCN1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CCCN2CC)c1 240551462 GUAXYQVCTDOJIN-WOJBJXKFSA-N 430.597 3.207 0 50 IGAA CC1CCN(C(=O)C2CCN(CC(=O)N[C@H](c3ccccc3)c3nccs3)CC2)CC1 303589423 HFKHZQFCWNABEW-JOCHJYFZSA-N 440.613 3.319 0 50 IGAA Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 426779324 GOGRQBIEEOPVMU-UHFFFAOYSA-N 447.470 3.369 0 50 IGAA O=C1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)c(F)cc2N1 767817001 CKPSTDDOINMNST-DEOSSOPVSA-N 435.455 3.067 0 50 IGAA CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 957105 MMBILYMNMRPESJ-UHFFFAOYSA-N 433.511 3.360 0 50 IGAA CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1ccccc1 1543374 OPWQYOUZRHDKBR-UHFFFAOYSA-N 430.441 3.226 0 50 IGAA in-vitro COc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O 8425756 WUMYKXOGCIKKQN-UHFFFAOYSA-N 444.491 3.320 0 50 IGAA COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccccc1C 9232108 BRXOUJDWOVZUJW-UHFFFAOYSA-N 425.222 3.438 0 50 IGAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(c3ccccc3)CC2)cc1C 11873648 GSBPJUXICRUPOS-QHCPKHFHSA-N 435.568 3.100 0 50 IGAA O=C(CCCn1cncn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12746938 XAXNOWQDJLNFLS-QFIPXVFZSA-N 443.567 3.117 0 50 IGAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)c1OC 14746796 NFHNJKFAIRZMOW-GOSISDBHSA-N 426.561 3.101 0 50 IGAA COC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 95400485 WUIDUZRXCRTKBU-KRWDZBQOSA-N 446.912 3.439 0 50 IGAA Cc1nc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc1C 243834070 RALXXLAEZXHWCB-UHFFFAOYSA-N 430.939 3.078 0 50 IGAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 245227577 JTVCOJURBGSKMC-JOCHJYFZSA-N 442.562 3.389 0 50 IGAA CCN1CCN(C(=O)c2ccc(N3CCC(N4CCOc5ccccc5C4)CC3)cc2)CC1 299799840 UFWPAGMIBRFVKY-UHFFFAOYSA-N 448.611 3.328 0 50 IGAA COc1ccc([C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@@H](C)C4)nc(O)c32)c(OC)c1OC 824639886 UVECPSJHRIVCEB-GUTXKFCHSA-N 442.516 3.164 0 50 IGAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952895332 ZXPJRYICZLLEEX-LJQANCHMSA-N 446.364 3.493 0 50 IGAA O=C([C@@H]1C[C@H]1c1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 1775976851 QPUFHTVSZXMPTH-BHYGNILZSA-N 438.343 3.362 0 50 IGAA O=C(O)c1ccccc1CCC(=O)N1[C@H]2CC[C@H]1CC(n1cc(-c3cncs3)nn1)C2 1875326560 LNFPDRPOFDDSRT-HOTGVXAUSA-N 437.525 3.427 0 50 IGAA CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@]2(C(=O)OC)CCOC2)cc1 1875343027 CYOVBZMQKJHBRM-RUZDIDTESA-N 438.524 3.143 0 50 IGAA COc1ccccc1[C@H](CNC(=O)[C@](C)(O)C1CCC1)NC(=O)[C@H](F)c1ccc(F)cc1 1875344446 LAOGAQJLOXBGPV-XZDHIHRUSA-N 446.494 3.370 0 50 IGAA C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1)c1noc(Cc2ccccc2)n1 2325853559 UVKFLTAJMPSICK-ZDUSSCGKSA-N 435.463 3.135 0 50 IGAA Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)NN3C(=O)c4ccccc4C3=O)c2)c1 692662 YNKQFMJDLDTFMB-UHFFFAOYSA-N 443.459 3.262 0 50 IGAA COc1ccc(C)cc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 827466 NRYXZKACPNKVBP-UHFFFAOYSA-N 427.320 3.171 0 50 IGAA COC(=O)c1ccc(COn2c(=O)c(-c3cc4ccccc4o3)[n+]([O-])c3ccccc32)cc1 2844264 HUFFNBDVYAFPHA-UHFFFAOYSA-N 442.427 3.464 0 50 IGAA COc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 2988460 CMNHXCOAQVQEOC-UHFFFAOYSA-N 442.512 3.389 0 50 IGAA CN(C)C1(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CCCCC1 11817817 UVDAECOCICSVDG-UHFFFAOYSA-N 427.589 3.461 0 50 IGAA COCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccn2)CC1 12190299 DHSYZMJCTBADJY-BREAQWACSA-N 439.531 3.189 0 50 IGAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1ccoc1)CC2 14541252 QYHBPLZSDFFAGW-UHFFFAOYSA-N 441.528 3.124 0 50 IGAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)c1 14979305 UQTPQKYLFGDFHY-VWLOTQADSA-N 443.547 3.369 0 50 IGAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)CC2 19300928 UQDBUDWUCKZIGQ-OAQYLSRUSA-N 443.551 3.463 0 50 IGAA O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCNCC1)c1ccc(Cl)cc1 19811274 IRCARNCHRGIKND-VXKWHMMOSA-N 427.957 3.473 0 50 IGAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccc(F)cc2)CC1 20045535 ZARKPMWACXRPTO-UHFFFAOYSA-N 440.540 3.487 0 50 IGAA CNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c3ccccc23)CN1C1Cc2ccccc2C1 23362485 VTRXFTZMIBEZMG-OFVILXPXSA-N 429.564 3.294 0 50 IGAA CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(N)c(N)cc21 25783476 PTSUYDXEEKDBQU-UHFFFAOYSA-N 446.415 3.270 0 50 IGAA in-vitro CCOc1ccccc1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(OC)cc2)CC1 169779283 NAWLGRJZUXAJAE-UHFFFAOYSA-N 436.512 3.047 0 50 IGAA CCCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2OC)n3C)CC1 299756317 LOUNSCXTCYIQFT-UHFFFAOYSA-N 449.555 3.375 0 50 IGAA CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)cc2)n1 408521389 RWRWRFFUYGXSFI-UHFFFAOYSA-N 442.545 3.008 0 50 IGAA C[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CCN1Cc1ccccc1 465408716 XJWXMOLWISPSJM-QFIPXVFZSA-N 428.621 3.328 0 50 IGAA COc1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccncc2)cc1 670471635 NDORYWYFZJDCFA-QHCPKHFHSA-N 430.508 3.243 0 50 IGAA Fc1cccc(Cl)c1COc1ccccc1CN1CCN(CCn2cncn2)CC1 826621861 VTKXNHOQMAEOER-UHFFFAOYSA-N 429.927 3.467 0 50 IGAA CN(Cc1sc2ccccc2c1Cl)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1506414654 RSDJTZKFMWUAJU-HNNXBMFYSA-N 441.018 3.412 0 50 IGAA Cc1ccc(-c2cc(C(=O)NCc3ccnc(-n4cncn4)c3)c3c(C)noc3n2)cc1 1875313525 OSQHZENQOMYDTI-UHFFFAOYSA-N 425.452 3.412 0 50 IGAA COc1cc(C)cc2c(C)c([C@H](C)NC(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)oc12 1875391817 CCQGRGYBAPRGTF-QIIPPGSGSA-N 439.516 3.346 0 50 IGAA C[C@@H](CC(=O)Nc1ccc2c[nH]nc2c1)NS(=O)(=O)c1ccc(Br)s1 2325861579 UIEGFOJNHWHTKR-VIFPVBQESA-N 443.348 3.083 0 50 IGAA CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Br)c1OCC(N)=O 623911 BJAPOLUXSPRCNK-UHFFFAOYSA-N 437.290 3.095 0 50 IGAA CCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 876956 DMSBCMKXGQFRCI-UHFFFAOYSA-N 431.341 3.475 0 50 IGAA COc1cc(OC)cc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccccn4)CC3)O2)c1 11787307 WVQCSCQPQMFYBG-HXUWFJFHSA-N 425.529 3.042 0 50 IGAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)/C=C/c2ccncc2)O3)cc1 11788206 YTNXITVNONMVDK-NSRPMIOYSA-N 434.517 3.285 0 50 IGAA Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1[nH]nc3c1CCCC3)C2 12125913 AZSZGBXXHYEFCE-UHFFFAOYSA-N 447.514 3.260 0 50 IGAA CC(C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1)C(=O)O 12382003 NKAGYMZRPRVCBQ-ISBHARSQSA-N 435.274 3.038 0 50 IGAA O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)NC2CC2)c1=O 12513319 HDSFVEJKJBDJGW-UHFFFAOYSA-N 436.556 3.221 0 50 IGAA O=C(NCCc1nnc2n1CCN(Cc1cnc(-c3ccccc3)s1)CC2)c1ccoc1 14990563 BCQGGWNYDRLYJM-UHFFFAOYSA-N 448.552 3.025 0 50 IGAA Cc1ccccc1CCN1CCC(CN(C(=O)c2cc(=O)[nH]c(O)n2)C2CCCC2)CC1 19607641 LDZZJXNVCXZVBW-UHFFFAOYSA-N 438.572 3.123 0 50 IGAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N(C)C4CCCCC4)CC3)c2c1 20177459 QQNDMHMMVVKVPN-UHFFFAOYSA-N 441.572 3.100 0 50 IGAA CCOc1ccc2nc(CN3CCN(C4CCN(C(C)C)CC4)[C@@H](CCO)C3)ccc2c1 20210301 AFCCPWVDZCHXOL-DEOSSOPVSA-N 440.632 3.375 0 50 IGAA O=C(NCCc1cccnc1)c1cc2n(n1)C[C@H](c1ccc(Br)cc1)OC2 169760317 QZWNSNRXSKQJJV-LJQANCHMSA-N 427.302 3.285 0 50 IGAA Cc1cc(O)c([C@H](CC(=O)NCCc2ccc(F)cc2)c2ccc3c(c2)OCO3)c(=O)o1 253471166 NCHDHXGBMYAXLK-GOSISDBHSA-N 439.439 3.403 0 50 IGAA CCC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1nn[nH]n1 467652935 IQEYSHWDBOOWPA-FQEVSTJZSA-N 431.500 3.261 0 50 IGAA Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)nnn1CC1CCCC1 468235839 UZICPFBFQFMTLL-FQEVSTJZSA-N 431.968 3.233 0 50 IGAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)C1 469883128 HGESHGQTWCFFNB-MRXNPFEDSA-N 437.949 3.411 0 50 IGAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)N1CCN2C(=O)OCC[C@@H]2C1 764260754 QRSCWURAFZOOKR-LDTOTXGLSA-N 445.947 3.166 0 50 IGAA Cc1ccc(C)c(OC[C@@H](O)Cn2nnnc2Cc2ccc(Br)cc2)c1C 1875322820 JRBDQIPTVMRMPC-SFHVURJKSA-N 431.334 3.392 0 50 IGAA COC(=O)[C@H]1c2ccccc2C2(CC2)CN1C(=O)c1[nH]c2c(OC)cccc2c(=O)c1C 1875342958 AZJCLLYXYUCOEI-OAQYLSRUSA-N 432.476 3.247 0 50 IGAA CC(C)(C)OC(=O)N1CCO[C@@H](CN2C(=O)CCN(CC3CC(C(C)(C)C)C3)C2=O)C1 1875387370 DTSUUHJYDXDHJH-DAWZGUTISA-N 437.581 3.349 0 50 IGAA Cn1ncc(Cl)c1CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1snc2ccccc12 2325823871 GPDBTOPVARMBCG-CZUORRHYSA-N 445.976 3.331 0 50 IGAA C[C@H](NC(=O)Cc1ccc2c(n1)NCCC2)c1ccc(Br)cc1OCCCO 2325851360 XOBBCJDGKGJPKX-AWEZNQCLSA-N 448.361 3.383 0 50 IGAA O=C1CCCc2ccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2N1 2325879489 XDJLUYMRQSLAJZ-UHFFFAOYSA-N 429.480 3.092 0 50 IGAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)CCC2CCC2)CCO3)ccn1 2332238299 KKOXAJDEXWMKSM-BYWFTSBJSA-N 447.601 3.406 0 50 IGAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1 814608 AAZYAZXEJBKHDN-UHFFFAOYSA-N 437.949 3.041 0 50 IGAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 1148649 ZNPZWGVNFBYBNC-UHFFFAOYSA-N 427.320 3.153 0 50 IGAA CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccccc1 8584812 GFDQPCGJLSWWLX-UHFFFAOYSA-N 442.006 3.002 0 50 IGAA Cc1nn(C)cc1CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 11754215 HBQNXNJFCLFYRV-UHFFFAOYSA-N 429.590 3.035 0 50 IGAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 12093706 GDVYBKCUBXMPJM-DEOSSOPVSA-N 427.545 3.227 0 50 IGAA COC(=O)CCC(=O)NC[C@@H]1Cc2cc(-c3cccc(C(=O)OC)c3)cc(Cl)c2O1 12149920 AALDZFVGFIKIFC-KRWDZBQOSA-N 431.872 3.167 0 50 IGAA O=C(Nc1ccnn1C1CCN(Cc2cccc3c2OCO3)CC1)c1ccc2c(c1)OCO2 12439319 XYOUVVRIVYNHET-UHFFFAOYSA-N 448.479 3.430 0 50 IGAA CCN1CCC[C@H]1CNC(=O)c1c(COC)n(CCc2cccc(Cl)c2)c(C)cc1=O 14963407 SNURHSCAWSCYFC-FQEVSTJZSA-N 445.991 3.413 0 50 IGAA CC(C)Cc1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 19792357 VPNXLFMCKWHLDM-QHCPKHFHSA-N 439.604 3.119 0 50 IGAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@]2(CO)CCOc3ccccc32)cs1 225648324 OSRGVVQBOWXNJG-DEOSSOPVSA-N 435.549 3.268 0 50 IGAA Fc1ccc(Cc2nnc(N3CCO[C@@H](c4nccs4)C3)n2C[C@H]2CCOC2)cc1 240934401 JBVHICYWFFJODQ-SJLPKXTDSA-N 429.521 3.079 0 50 IGAA Cc1cc(N2CC[C@H](NC(=O)c3cc(-c4cccnc4)on3)C2=O)ccc1Br 462904213 FDIJBSJSNVMYHE-INIZCTEOSA-N 441.285 3.343 0 50 IGAA O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 484921380 VHEKKNKLQZYWMK-NFBKMPQASA-N 447.535 3.292 0 50 IGAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)c2c1 804555030 FFZIZDHPTYHUOF-NSYGIPOTSA-N 443.507 3.198 0 50 IGAA CN1C[C@@]2(CCCN(Cc3cccc(OCCCCN4CCOCC4)c3)C2)CCC1=O 952971013 BXISZYAXFRANQI-RUZDIDTESA-N 429.605 3.012 0 50 IGAA Cc1c(C(=O)NCC2CCCCC2)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 1775988368 PSDXRSCLDLLFKY-UHFFFAOYSA-N 437.588 3.423 0 50 IGAA O=C1CC[C@@H](CNC(=O)N2CCC[C@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)N1 1875302428 QBPMBXJNKUMXQS-HRAATJIYSA-N 439.387 3.270 0 50 IGAA O=C(NCc1ccccc1-n1cc(-c2cncs2)nn1)[C@H]1CC(Cc2ccccc2)=NO1 1875354954 VHKHXEYPAAKRRV-OAQYLSRUSA-N 444.520 3.395 0 50 IGAA Cn1ncc(C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)c2nn[nH]n2)c1Cc1ccccc1 1875358128 KMESJMGREWZBOF-GOSISDBHSA-N 441.417 3.062 0 50 IGAA O=C(c1n[nH]c(C2CC2)c1Cl)N1CCCN(C(=O)c2n[nH]c(C3CC3)c2Cl)CC1 2325749943 JSSYYBDKSZBLRZ-UHFFFAOYSA-N 437.331 3.183 0 50 IGAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 624238 DBGIXANUZHQLHG-UHFFFAOYSA-N 428.341 3.327 0 50 IGAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 637536 YVRCOQQORFQURT-UHFFFAOYSA-N 443.352 3.043 0 50 IGAA COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1C 2875988 NFKGJEYJYYFMTJ-UHFFFAOYSA-N 445.324 3.493 0 50 IGAA C/C(Cl)=C\CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 5359859 WSBBPIDDFAAITE-DHZHZOJOSA-N 425.341 3.370 0 50 IGAA CC(C)(NC(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1)c1cccc2ccccc12 11952725 VOJQYWLSDOJSPV-HXUWFJFHSA-N 435.568 3.442 0 50 IGAA Cc1nn(C)cc1CN(C)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 12073711 FERRNZSTUVUWRN-VWLOTQADSA-N 434.584 3.159 0 50 IGAA COc1ccc(OCC(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)cc1 14881577 OYHKARBJKCJOBK-SFHVURJKSA-N 425.872 3.304 0 50 IGAA COc1ccc(CCNC(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)cc1 14884311 IMKPHGGMCUGXDG-XMMPIXPASA-N 428.504 3.173 0 50 IGAA COCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)CCc2ccco2)CC1 14993930 UHXAWHAVOBXOEF-QFIPXVFZSA-N 430.520 3.306 0 50 IGAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(C)cc1C)CC2 19838177 OFCPAABHZAMDOG-NRFANRHFSA-N 427.593 3.111 0 50 IGAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C(=O)c2cccs2)CC1 23128776 LNPNVLBSFPITDA-UHFFFAOYSA-N 439.585 3.226 0 50 IGAA CO[C@@]1(C)CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Cl)cc2)CC1 225435969 COTQRASSALSRJL-MJGOQNOKSA-N 449.038 3.158 0 50 IGAA CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 225453380 OSXSYJVRGAVTDW-CTNGQTDRSA-N 439.560 3.229 0 50 IGAA COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 230201483 CHQCIYDGSITZBR-WXNWJBHASA-N 427.926 3.080 0 50 IGAA COc1ccccc1-n1cnnc1S(=O)(=O)Cc1ccc(C(=O)OC(C)(C)C)cc1 434935175 ABHSQURUHNQFOP-UHFFFAOYSA-N 429.498 3.205 0 50 IGAA O=C1CN2C(=O)[C@]3(CCN(CC4CC4)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952858683 GAZQFFBPCNTQMJ-AZGAKELHSA-N 431.536 3.027 0 50 IGAA Cc1c(C(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c(-c2ccccc2)nn1-c1ccccc1 1772705602 UUHZDWPXZZRBRY-CLOONOSVSA-N 431.492 3.411 0 50 IGAA CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)C[C@]2(CCc2ccccc2)C1 1772808173 HSKQODJHUCHCLZ-KNQAVFIVSA-N 432.973 3.442 0 50 IGAA O=C(NCCc1csc(-c2cccnc2)n1)c1cc2c(s1)C1(CCNCC1)OCC2 1857690963 WWGNPYARZKMLNP-UHFFFAOYSA-N 440.594 3.391 0 50 IGAA Cn1cc(S(=O)(=O)NC(=O)CCc2nc3cc(Cl)ccc3s2)c(C2CCC2)n1 2325862389 SDCXRFNYRFKWFB-UHFFFAOYSA-N 438.962 3.388 0 50 IGAA COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 754703 ZNMZOCQMKFESMZ-UHFFFAOYSA-N 426.450 3.447 0 50 IGAA COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 1124179 BXWBTOOBPTYDBV-UHFFFAOYSA-N 435.303 3.063 0 50 IGAA O=C(NCCCn1cc(Br)cn1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2779126 XHZMMRSPUHFETH-UHFFFAOYSA-N 439.264 3.323 0 50 IGAA CCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2830235 NTGBDCLAAMOZPB-UHFFFAOYSA-N 425.348 3.166 0 50 IGAA COc1cccc(Cn2cc(C(=O)NCc3ccc(C)cc3)c(=O)c(C(=O)NC3CC3)c2)c1 12034659 PBMPKFSYBHVKKD-UHFFFAOYSA-N 445.519 3.036 0 50 IGAA COc1cc(CNCCc2ccccn2)ccc1OC[C@H](O)CN1CCCCCCC1 12429984 OUFLVMGZICPJJG-HSZRJFAPSA-N 427.589 3.428 0 50 IGAA O=C(CCn1cnc2ccccc2c1=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 14967463 USJTUISRJXQXDC-SANMLTNESA-N 448.542 3.440 0 50 IGAA COc1ccc(CCN2CCC(CN(C)Cc3cnc(N4CCOCC4)s3)CC2)cc1 15064125 KQCFKXYJJOSSAM-UHFFFAOYSA-N 444.645 3.375 0 50 IGAA Cc1cc(C(=O)N2CCCC2)c2c(=O)n(Cc3ccccc3)c(=O)n(-c3ccccc3)c2n1 20345185 CSHRGECPPPAFNE-UHFFFAOYSA-N 440.503 3.140 0 50 IGAA COc1cccc(CNC(=O)CC[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 23369338 DNOBPPQVRYQIIR-LJQANCHMSA-N 430.570 3.334 0 50 IGAA COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)Cc2c(C)nn(C)c2Cl)CC1=O 328595847 GMNVSIBNUYQSDG-LBPRGKRZSA-N 425.316 3.055 0 50 IGAA NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CC2)cc1 480069323 LTKBAZOFBRUUAO-RBUKOAKNSA-N 433.430 3.136 0 50 IGAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 886025345 ITSQAGBRVSLMGC-RTBURBONSA-N 436.899 3.456 0 50 IGAA CCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2C(=O)c1csc(-c2ncccn2)n1 1704299082 MNRHOLPDTHAXQO-VUMVONDWSA-N 447.564 3.342 0 50 IGAA Cc1ccc(C)c(S(=O)(=O)NCCN[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 2325724071 SHUSTSHVSCVRFR-GOSISDBHSA-N 425.554 3.352 0 50 IGAA C[C@@H](C(=O)N=[S@]1(=O)CCCN(C(=O)c2c3ccccc3nn2C)CC1)c1ccsc1 2332238630 GADMFPRVGALNBJ-FOGNVHKLSA-N 444.582 3.279 0 50 IGAA CC[C@]1(C2CCN(C(=O)CCC(C)C)CC2)NC(=O)N(CCc2scnc2C)C1=O 11872099 MIMFEHQQXBBSDQ-JOCHJYFZSA-N 434.606 3.369 0 50 IGAA COc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2CNCc2n[nH]c(=O)[nH]2)c1 12242864 PIDGQXGLZFQBFE-UHFFFAOYSA-N 437.525 3.342 0 50 IGAA NC(=O)[C@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1 12446061 REALEDYSCJEWKP-INIZCTEOSA-N 431.968 3.091 0 50 IGAA CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 17987512 KRVRDNWUIPNHGW-PMACEKPBSA-N 442.493 3.092 0 50 IGAA COc1ccc2c(c1)C=C(CN1CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C1)CO2 20203161 ZIKAKBFEUDWMRN-QHCPKHFHSA-N 438.568 3.357 0 50 IGAA CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12 30691787 WTDWVLJJJOTABN-UHFFFAOYSA-N 446.500 3.234 0 50 IGAA investigational COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1ccc2c(c1)OCO2 39379751 VZUPHKTYXCDIAP-UHFFFAOYSA-N 437.496 3.327 0 50 IGAA COc1cc(CN(C)Cc2nnc(SCCOc3ccccc3)n2C)cc2c1OCO2 55090466 HWOFDLKDSIMLLU-UHFFFAOYSA-N 442.541 3.356 0 50 IGAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]1[C@@H]1CCCN12 249697543 UXADPAGYIDYXOP-YGWSKSRPSA-N 429.520 3.149 0 50 IGAA C[C@H]1CN(Cc2ccccc2CNS(=O)(=O)c2c[nH]c3cccc(F)c23)C[C@H](C)O1 477527625 VOFSLUKNXRSDPN-HOTGVXAUSA-N 431.533 3.395 0 50 IGAA CN(C)c1ncnc2c1cc(C(=O)Nc1ccc(-n3ccc(C(F)(F)F)n3)cc1)n2C 484891531 WUQJHACHMOQEKN-UHFFFAOYSA-N 429.406 3.491 0 50 IGAA Cc1ccc(Cl)cc1NC(=O)CC(=O)NCCN1N=C(c2ccccc2)CCC1=O 1506418386 SIORTMRQNFTFJV-UHFFFAOYSA-N 426.904 3.120 0 50 IGAA C[C@@H](Sc1nc(CC(=O)N[C@H](C)c2nnc(-c3ccccc3)s2)cs1)C(N)=O 2325852462 HAVZCOICLVDXHO-GHMZBOCLSA-N 433.584 3.047 0 50 IGAA CCOC(=O)c1ccc(N(CN2C(=O)c3ccc(Br)cc3C2=O)C(C)=O)cc1 629818 GXQKRPIPVCDODW-UHFFFAOYSA-N 445.269 3.232 0 50 IGAA Cn1c(SCc2ccc(C(=O)NCCCO)cc2)nc2sc3c(c2c1=O)CCCC3 1744693 PMWMHSFUSWCFNW-UHFFFAOYSA-N 443.594 3.278 0 50 IGAA Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c1 2841187 PUPLDSZWFSTWRO-UHFFFAOYSA-N 429.933 3.438 0 50 IGAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3OC)cc2)cc1 2884995 CLRGGPVCLYPULN-UHFFFAOYSA-N 440.521 3.459 0 50 IGAA O=C(NCCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccccc1 4916929 LMCCBWSELFUBDN-UHFFFAOYSA-N 425.537 3.053 0 50 IGAA Cn1ccnc1SCCNC1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 12217300 VDXGWMIYHVPQSG-UHFFFAOYSA-N 427.618 3.443 0 50 IGAA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1OC 13608306 MGJJTHVWXMJXAY-GUYCJALGSA-N 440.422 3.033 0 50 IGAA COc1cccc(OC)c1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55153572 DZDSSGHMAFRYPC-GOSISDBHSA-N 427.520 3.270 0 50 IGAA COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c1 65363892 IRSQNMMDWXWCNO-GOSISDBHSA-N 448.527 3.452 0 50 IGAA COc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1F 169778017 IZURZEJTRQZZIJ-INIZCTEOSA-N 434.431 3.230 0 50 IGAA C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCCN(C)S(=O)(=O)c1ccc(F)cc1 225413779 OPKMJZVMMJJLOR-QFBILLFUSA-N 443.585 3.071 0 50 IGAA C[C@@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1)n1ccc2ccccc2c1=O 242106251 WIEQROPCKKWFQE-AWEZNQCLSA-N 442.313 3.470 0 50 IGAA COc1ccnc(N2CCN(C(=O)[C@H]3CN(Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1 252584424 AJNNWLJFALCNSV-VQTJNVASSA-N 448.489 3.049 0 50 IGAA COC(=O)C[C@@H](c1oc2ccccc2c(=O)c1O)c1cc2cccc3c2n(c1=O)CCC3 253401607 FSEHVKRCCPHUGE-QGZVFWFLSA-N 431.444 3.455 0 50 IGAA biogenic CN(C)C(=O)[C@H](CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1 1875343735 SPAHOFVQGQLZBE-DNQXCXABSA-N 441.531 3.372 0 50 IGAA Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCc1ccccc1 2875236 RWLPBHSZPAZVCM-UHFFFAOYSA-N 438.549 3.211 0 50 IGAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc2cc[nH]c2c1 11816463 FTGALRXGFVHBMM-HSZRJFAPSA-N 426.605 3.453 0 50 IGAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1 15072205 HFQNHOSYNMKTLI-OAHLLOKOSA-N 448.951 3.352 0 50 IGAA O=C(CC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1)N1CCN(c2ccccn2)CC1 19147307 CDUWBSIYKWRZEZ-SFHVURJKSA-N 442.510 3.341 0 50 IGAA COC(=O)Cn1c(=O)c(CN2CCN(c3ccccc3F)CC2)cc2ccc(Cl)cc21 19839860 PPHBIVPFRNGEHM-UHFFFAOYSA-N 443.906 3.289 0 50 IGAA CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 20538990 RRRFHEKQCCKRSS-UHFFFAOYSA-N 429.590 3.232 0 50 IGAA COCc1nn2c(nnc3c(=O)n(Cc4ccccc4OC)ccc32)c1-c1ccc(F)cc1 40392131 SWOYWCDTEAONEJ-UHFFFAOYSA-N 445.454 3.449 0 50 IGAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1Cl 67603968 MPQKGBLACCQPLL-UHFFFAOYSA-N 430.940 3.401 0 50 IGAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1 102252901 HCDFRKHFZGGMOR-SFHLNBCPSA-N 434.540 3.182 0 50 IGAA Cc1cc(Cl)ccc1OCC(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169780455 ISBQENYDCCVWQQ-UHFFFAOYSA-N 426.904 3.307 0 50 IGAA O=C1NC2(CCN(C(=O)c3ccc(Oc4cccc(Br)c4)nc3)CC2)CO1 170594177 AJJYIPDDYIPBPB-UHFFFAOYSA-N 432.274 3.351 0 50 IGAA C[C@@H]1[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CCC[C@H]1C 239654499 BOBQLVBUZPIZQF-MEGQDDJESA-N 436.350 3.157 0 50 IGAA C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 247993981 OCJOCCXIGQRBEE-FUHIMQAGSA-N 436.574 3.101 0 50 IGAA COc1ccc([C@@H](NC(=O)C[C@@H]2N=C(O)N(c3ccc(OC)cc3)C2=O)C(C)C)cc1 252499803 SEUSXNVPJSGKIM-FPOVZHCZSA-N 425.485 3.237 0 50 IGAA O=C(Nc1cccnc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 263617416 NRZQZRBNVIQMMM-OAQYLSRUSA-N 431.496 3.041 0 50 IGAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 426197557 DDEFRRNYTHUBKL-XRKUDKKSSA-N 448.394 3.380 0 50 IGAA O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccccc3s2)CC1 482795190 AYYCXLJBODWQGI-HNNXBMFYSA-N 445.570 3.264 0 50 IGAA O=C(NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1cc(-c2ccccc2)ccc1Cl 1875343466 KBWKXQLUANGXGC-UHFFFAOYSA-N 440.864 3.009 0 50 IGAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1 902563 MAISYWVJRFYJLH-UHFFFAOYSA-N 445.504 3.253 0 50 IGAA CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 9329308 YJCPQXOFKPKJKS-MRXNPFEDSA-N 443.931 3.483 0 50 IGAA O=C(CCC1CCN(Cc2ccc(CO)o2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12373121 LMVGFXPRHPCGHN-QFIPXVFZSA-N 425.573 3.155 0 50 IGAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 16625275 XUSHLSSTOHLFEV-INIZCTEOSA-N 442.368 3.247 0 50 IGAA COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 19852767 YJKYAQCXNMDHOS-UHFFFAOYSA-N 426.538 3.364 0 50 IGAA COC(=O)CN(C)Cc1ccc2c(NC(=O)C3CCCCC3)c(C(=O)OC)sc2n1 39500698 CYLHXICTJCGQAK-UHFFFAOYSA-N 433.530 3.207 0 50 IGAA CN(Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1)S(=O)(=O)c1ccccc1 65363469 XAOWWRMXECPSCL-UHFFFAOYSA-N 435.505 3.106 0 50 IGAA O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 101076787 LKWFPIJVILFXEG-HXUWFJFHSA-N 442.357 3.335 0 50 IGAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 101319054 IGLCNLLYBLZOHH-NXPNQGMMSA-N 425.710 3.462 0 50 IGAA Cc1cc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)cc1Br 239009560 AVGNUYYJZQRWSZ-GFODJXLSSA-N 443.341 3.448 0 50 IGAA Cn1c([C@H]2CCCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nc2ccccc21 253411326 OMJSLOZZELXNAK-KRQVXIAISA-N 441.601 3.353 0 50 IGAA biogenic CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 745824600 KFCPTSYEEUQBOP-RTWAWAEBSA-N 446.592 3.195 0 50 IGAA O=C1NCC[C@@H]1C(=O)NC[C@H]1c2ccccc2CCN1CCOc1cccc2ccccc12 1776003413 NQXBPQYFEQIBQZ-ZEQRLZLVSA-N 443.547 3.070 0 50 IGAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1cc(CCc2ccccc2)ccc1O 1875264488 POVZXDJEWWAETJ-ICSRJNTNSA-N 436.512 3.097 0 50 IGAA COc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)CCC2 2325732656 YDFGCUAZACBGGG-LEWJYISDSA-N 429.948 3.261 0 50 IGAA CCCn1c(CN2CCCc3c(CN)cccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 2325843590 JRCIWAPKZIYMAP-UHFFFAOYSA-N 441.601 3.108 0 50 IGAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(OC)ccc2OC)c(OC)c1 1165560 QALKAWOAYYIZLE-FQEVSTJZSA-N 443.525 3.153 0 50 IGAA Ic1cccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c1 1186646 ZMTLBFNHJWDKND-UHFFFAOYSA-N 438.250 3.288 0 50 IGAA CCOC(=O)c1sc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)nc1C 2751043 ZDOSMGLHVFTHQN-UHFFFAOYSA-N 428.499 3.179 0 50 IGAA CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccccc1F 2982010 ATYMTBHIJJWOHO-UHFFFAOYSA-N 430.954 3.295 0 50 IGAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCCc3ccccc3)c2)CC1 12466454 DPEINVWPQIMGDM-DEOSSOPVSA-N 440.584 3.034 0 50 IGAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCCCc1ccncc1)C2 14535076 CIWXQGGLBDFPFO-QFIPXVFZSA-N 429.568 3.093 0 50 IGAA COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@H](C)C(C)(C)O)cc12 14541510 GIDMXBPALYFDBH-CQSZACIVSA-N 434.537 3.025 0 50 IGAA COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C 20780675 JLBGTSYRYMYHEH-UHFFFAOYSA-N 437.519 3.031 0 50 IGAA COc1ccc([C@H]2[C@@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1OC 40282790 FBWNJICUXGRPQF-GOTSBHOMSA-N 431.492 3.326 0 50 IGAA CC(C)c1ccc(N2C(=O)[C@H](CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)N=C2O)cc1 252488717 IXLFYPLDMWWGNU-VAXXYWNWSA-N 427.545 3.373 0 50 IGAA O=C(CCSc1nc(O)c2ccccc2n1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 252550329 SJJODFDFZORGLF-GOSISDBHSA-N 436.493 3.111 0 50 IGAA Cc1[nH]nc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1-c1ccc2c(c1)OCCO2 435715376 PZBMCIRQTJSXEM-UHFFFAOYSA-N 437.406 3.873 0 50 IGAA O=C(NCc1sc2ccccc2c1Cl)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 670447534 GNZWUPFXPZVMQZ-AWEZNQCLSA-N 426.991 3.070 0 50 IGAA Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 760473340 XFAKZKANWPAGPO-QHCPKHFHSA-N 444.495 3.405 0 50 IGAA O=C(NCc1cc(-c2ccccc2)n[nH]1)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 1875352777 DMOYASYNKAPYPA-FQEVSTJZSA-N 430.468 3.410 0 50 IGAA Cc1[nH]nc2ncc(C(=O)NCC[C@H]3[C@H](C)CCCN3C(=O)c3cccc4c3COC4)cc12 1875359671 MGFVEMOWJPAWEJ-QRQCRPRQSA-N 447.539 3.357 0 50 IGAA O=C(N=S1(=O)CCC2(CC1)C[C@H](N=c1nc(C3CC3)[nH]s1)CCO2)C1=CCCC1 2332238170 CPRXFLDYCXTBCX-OJSJDPGVSA-N 436.603 3.066 0 50 IGAA CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 708944 ZBRLRCLKNQNAIQ-FQEVSTJZSA-N 441.484 3.378 0 50 IGAA Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1C 914998 RHEFYBJTPSHECX-UHFFFAOYSA-N 426.498 3.220 0 50 IGAA COc1ccc(CCNC(=S)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC 5041240 BEPGNVIBABVLJR-UHFFFAOYSA-N 427.570 3.146 0 50 IGAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 11816494 XCGUKCCARLLFPF-HSZRJFAPSA-N 429.538 3.466 0 50 IGAA Cc1noc(C)c1S(=O)(=O)NC[C@H](C)Oc1cccc(CN(C)Cc2ccoc2)c1 11909069 TXMZUUYPTLWTIS-HNNXBMFYSA-N 433.530 3.262 0 50 IGAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NC[C@@H]2C(=O)Nc3ccccc32)c1C 12149074 APMMGLJUJZBYRD-FQEVSTJZSA-N 445.519 3.182 0 50 IGAA CS(=O)(=O)Nc1cc(CNCCCc2ccccc2)cc(C(=O)N2CCCCC2)c1 12151578 QHXCZOQMIKCHRM-UHFFFAOYSA-N 429.586 3.407 0 50 IGAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1cccc(O)c1)C2 14540012 YRWYAUWRFQIUKE-UHFFFAOYSA-N 445.567 3.129 0 50 IGAA CCOc1cc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)ccc1OC 14986729 BOWXDIJJWYQIHC-LJQANCHMSA-N 427.549 3.195 0 50 IGAA CCCCOc1ccc(C(=O)N/C(=C\c2ccc(OC)cc2)C(=O)NCCC(=O)O)cc1 33895473 PLQPVHDAKQRIDG-PGMHBOJBSA-N 440.496 3.236 0 50 IGAA Cc1nn2c(ncc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(Cl)cc1 40397681 HCHPIWJENRDQPP-UHFFFAOYSA-N 430.855 3.452 0 50 IGAA Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)ncn2)c1C 72115772 NSCXBNBXAIHGQE-UHFFFAOYSA-N 430.434 3.260 0 50 IGAA CC(=O)c1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 238997428 AGAVJZCPHBSLDV-XJULWTEUSA-N 432.520 3.440 0 50 IGAA Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)CC2)c1 263616078 GVVMHUJYTNNWCP-OAQYLSRUSA-N 437.931 3.474 0 50 IGAA C[C@H](Cc1ccccc1)n1cccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463122531 FNVVNVJZQUBKMX-ZJSXRUAMSA-N 445.563 3.492 0 50 IGAA Cn1ccnc1[C@H](O)C1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 772573949 KGLDZFWDNHQZMJ-LJQANCHMSA-N 429.908 3.028 0 50 IGAA Cc1cccc2cc(C(=O)N3CC4(CCOCC4)C[C@H]3CNC(=O)c3cccnc3)cnc12 1875361446 SKLKZQIQUNOOSU-QFIPXVFZSA-N 444.535 3.380 0 50 IGAA O=C(N=S1(=O)CCC2(CC1)C[C@@H](N=c1nc(C3CC3)[nH]s1)CCO2)C1=CCCC1 2332238169 CPRXFLDYCXTBCX-BBQFNOQBSA-N 436.603 3.066 0 50 IGAA CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC(C)(C)OC2 657665 FHHGZHNENZQTFU-UHFFFAOYSA-N 442.493 3.011 0 50 IGAA Cc1nn(C)cc1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 2778018 PXEFOMVHMXGSPZ-UHFFFAOYSA-N 434.260 3.242 0 50 IGAA CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 4763246 VJJCVQALEZQGME-NHCUHLMSSA-N 426.513 3.372 0 50 IGAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O 12149457 XWXJLYJNVQMODI-UHFFFAOYSA-N 439.434 3.083 0 50 IGAA CC(C)Cn1cc(C(=O)NCCCc2ccncc2)c(=O)c(C(=O)N2CCCCCC2)c1 12152494 AMQLDSPVHIRBEI-UHFFFAOYSA-N 438.572 3.278 0 50 IGAA CN(C[C@@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O 12325517 MPVZYEJUIKPGFQ-YADARESESA-N 440.565 3.363 0 50 IGAA Cc1ccc(Cl)c(OCn2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)n2)c1 13960013 KQJPXCAWSWLAJU-QGZVFWFLSA-N 434.777 3.302 0 50 IGAA COc1cc(-c2nnc(SCC(=O)NC3CCCCCC3)n2C)cc(OC)c1OC 17099126 ALBPXHMJQXPESS-UHFFFAOYSA-N 434.562 3.439 0 50 IGAA Cn1ccnc1SCCNC(=O)CN1Cc2ccccc2O[C@H](c2ccsc2)C1 39371420 DGEHSWWVDZHSNH-IBGZPJMESA-N 428.583 3.326 0 50 IGAA Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN21 247827813 JTUKBNQXECTJOR-YDSTWLSQSA-N 439.874 3.219 0 50 IGAA Cn1c([C@H](Cc2ccccc2)NC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 252509121 YCTZQSOLTJPKTJ-FQEVSTJZSA-N 429.528 3.319 0 50 IGAA Cc1ccc(CNC(=O)c2nnc(COC(=O)c3cc(O)nc(CC(C)C)c3)s2)cc1 777142569 PYLXXMJGDCTLOK-UHFFFAOYSA-N 440.525 3.433 0 50 IGAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)N2CCN(CCc3ccncc3)CC2)CC1 1775942334 AJEQZYNHJKJBNU-YHBQERECSA-N 446.595 3.231 0 50 IGAA CC[C@@H](C(=O)N(CCO)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 2325841616 BJNZHTZTKRRGDI-LJQANCHMSA-N 438.933 3.002 0 50 IGAA COc1ccc(Cn2ccnc2NC(=O)c2cccnc2Oc2ccccc2C(N)=O)cc1 2325855838 QWRHOEYQXZZUFI-UHFFFAOYSA-N 443.463 3.479 0 50 IGAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356142353 ORDYGFVYRKKICT-HXUWFJFHSA-N 426.966 3.355 0 50 IGAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2F)cc1 780782 KPDNFAMPPNPDMC-UHFFFAOYSA-N 427.501 3.036 0 50 IGAA COc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1OC 20780820 LNKMJBYMYOIGDV-QFIPXVFZSA-N 428.573 3.214 0 50 IGAA COc1ccccc1CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cn3ccccc3n2)C1 43631449 SNYVVKDGCADZOP-FPOVZHCZSA-N 432.524 3.039 0 50 IGAA Cc1c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cccc1N(C)S(C)(=O)=O 65362063 MJJBCPUBZQGRFR-UHFFFAOYSA-N 431.558 3.116 0 50 IGAA COc1ccc(CN2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@H]2CCO)cc1C 104328051 MJGLBCBRVLNZOX-XMMPIXPASA-N 434.584 3.473 0 50 IGAA COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)O)c(OC)c1 170614191 MZWADOSWWILDEC-GOSISDBHSA-N 442.468 3.264 0 50 IGAA O=C(NCc1ccc2c(c1)OCCCO2)c1cc(=O)c2cc(Br)ccc2[nH]1 170626266 KQNOTRLLJZFZJQ-UHFFFAOYSA-N 429.270 3.382 0 50 IGAA CC[C@H](C)ON1C(=O)[C@@H]2[C@H]3O[C@H]([C@@H]4[C@@H]3[C@@]3(Cl)C[C@@]4(Cl)C(Cl)=C3Cl)[C@@H]2C1=O 254310649 WAIHBPBIDSIKNI-ZJEUPMJWSA-N 441.138 3.393 0 50 IGAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)c12 427989875 BMXJFXUFUCXANF-YLQSWXSKSA-N 427.504 3.437 0 50 IGAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3onc4c3CCCC4)C2)cc1OC 824547291 XFHQYOJBZSLEQR-SFHVURJKSA-N 427.545 3.350 0 50 IGAA C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CCC1(C)CC1 1303842918 FNCOXKAQKFHXRS-CQSZACIVSA-N 437.997 3.295 0 50 IGAA COc1ccc(/C=C/c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)o2)cc1 1857800079 FSOHSTZTBPUSOJ-JLHYYAGUSA-N 439.537 3.438 0 50 IGAA O=C(CCc1ccccc1C(=O)O)NC12CCC(n3cc(-c4cncs4)nn3)(CC1)C2 1875326325 GKIGIUWUJYDRDI-UHFFFAOYSA-N 437.525 3.261 0 50 IGAA CC(C)N1C(=O)CO[C@H](C(=O)NCc2cc(-c3ccc(F)cc3)no2)[C@H]1c1ccccc1 2356137960 CCXFZSZIHBCOAZ-PKTZIBPZSA-N 437.471 3.474 0 50 IGAA CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(Br)cc2)cc1 840723 YRDRPQUCFGHTLH-UHFFFAOYSA-N 428.304 3.216 0 50 IGAA COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 2979192 GUMXYTVTWHLQEV-UHFFFAOYSA-N 442.990 3.332 0 50 IGAA COC(=O)COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 8867810 QCZJRMVBAQAMBX-UHFFFAOYSA-N 443.459 3.254 0 50 IGAA CCOC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CC1 11787762 XZYIIKPDVOLHSJ-RUZDIDTESA-N 437.540 3.112 0 50 IGAA O=C(Nc1ccnn1C1CCN(C2CSCCSC2)CC1)c1ccc2c(c1)OCO2 20608439 HKALZWJNTIWPOV-UHFFFAOYSA-N 446.598 3.350 0 50 IGAA O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55358190 YSWCVOCBWAESQF-SFHVURJKSA-N 435.499 3.359 0 50 IGAA CS(=O)(=O)c1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1 170619531 MUNZTVVOXQWXJB-UHFFFAOYSA-N 434.564 3.203 0 50 IGAA COC(=O)c1ccc(CNS(=O)(=O)c2cccc3cncc(Br)c23)cc1 225392209 JKKAPLODEFQQKY-UHFFFAOYSA-N 435.299 3.262 0 50 IGAA O=S(=O)(Nc1ccc(N2CCOCC2)cn1)c1c(Cl)cccc1Br 225753235 ODDOWAIRFAENQP-UHFFFAOYSA-N 432.727 3.135 0 50 IGAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 229899548 IVNFQVHFWRUKIF-KCXPTXFHSA-N 442.302 3.425 0 50 IGAA CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCCN21 245242284 VBOJFGGJQAXEHP-OYSWMMLKSA-N 429.520 3.297 0 50 IGAA CN1CCC2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O 446511128 RTNAEIKAOAFRKF-QGZVFWFLSA-N 438.355 3.069 0 50 IGAA CN1CCN(Cc2cccc(C(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)c2)CC1 469398873 AODULJSAKQJLTL-XMMPIXPASA-N 432.568 3.022 0 50 IGAA Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 478603681 NPMMSWFKCXLKQM-URVUXULASA-N 445.523 3.316 0 50 IGAA CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 745824601 KFCPTSYEEUQBOP-SFTDATJTSA-N 446.592 3.195 0 50 IGAA CS(=O)(=O)N1CCC(c2nnc3sc(Cc4ccc5ccccc5c4)nn23)CC1 951726705 JXJARYGOXCENOC-UHFFFAOYSA-N 427.555 3.069 0 50 IGAA CN(Cc1ccc(OCC(=O)N2CCCCC2)cc1)C[C@@H]1CC(=O)N(C2CCCC2)C1 952976806 OWVNLGVXHTVDSG-NRFANRHFSA-N 427.589 3.301 0 50 IGAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2sc(N3CCOCC3)nc2C)cc1 1857721507 RYPKYZADARYGIM-HXUWFJFHSA-N 445.585 3.161 0 50 IGAA CSc1nc(C(F)(F)F)cc(=N[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)[nH]1 1875321613 OJGWUSCKMPXUHG-NSHDSACASA-N 432.493 3.352 0 50 IGAA O=C(Nc1cnn2cccnc12)C(=O)N1CCCC[C@@H]1c1ccc(Br)cc1 2325818479 FEIVABVHLMDZJB-MRXNPFEDSA-N 428.290 3.184 0 50 IGAA Cc1cnc(-n2ncc(C(=O)N(C)C[C@H]3COCCO3)c2C2CC2)nc1-c1cccs1 12027587 QVKBNSGYBRXWMD-INIZCTEOSA-N 439.541 3.064 0 50 IGAA O=C1CCCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12439816 IDNFIJWEOUWREY-QFIPXVFZSA-N 445.579 3.058 0 50 IGAA Cc1nn(CC(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)c(=O)c2ccccc12 20906706 PJYHHHTZCBFBFC-MRXNPFEDSA-N 433.537 3.100 0 50 IGAA COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100552507 GBHRMHTUHMCRIN-QDGJQWLKSA-N 433.460 3.270 0 50 IGAA Cc1cccc(OCC(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 169775741 POGPJZBWFKRUSO-UHFFFAOYSA-N 430.508 3.283 0 50 IGAA Cc1ccccc1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169816276 INXMKJLHEAJIMM-UHFFFAOYSA-N 441.162 3.372 0 50 IGAA Cc1ccc(-c2noc(CN3CCN(C(=O)CCc4cccc(N(C)C)c4)CC3)n2)cc1 170607884 TUDSOHPYKYQNMQ-UHFFFAOYSA-N 433.556 3.388 0 50 IGAA O=C(CNS(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1C(=O)c1ccccc1 225507506 BILVPTBRGZZNQP-UHFFFAOYSA-N 428.897 3.488 0 50 IGAA CN1C(=O)CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)[C@@H]1c1ccccc1 230245789 XZUDKYYJSBSKGJ-WZONZLPQSA-N 434.521 3.492 0 50 IGAA CCCCn1c(CN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)nc2c1c(=O)nc(O)n2Cc1ccccc1 253532716 TVHAWHHJVLOHJE-CTAFRAEOSA-N 433.556 3.377 0 50 IGAA O=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 495141912 RGHAZLAHUWGJJD-UKXMIYQGSA-N 440.547 3.334 0 50 IGAA Cc1nonc1C(=O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705445 ICPFSQVUQJFKFW-IBGZPJMESA-N 426.517 3.007 0 50 IGAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)N(CCCC(=O)O)CCc3ccccc3)cc21 1875262950 VNKLUAUHPSCCTK-UHFFFAOYSA-N 430.526 3.015 0 50 IGAA O=C(NCc1nc(O)n[nH]1)N1CCC[C@@]2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1 1875302396 OMGFVFXMIXTHGD-IBGZPJMESA-N 439.347 3.015 0 50 IGAA CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H]1O)c1ccc(Cl)cc1 2325793236 MAOHTENOQDFFBG-YCFYUYSTSA-N 440.971 3.499 0 50 IGAA CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1Cl 2325819644 LWGTYVZTXBRXIV-ZBFHGGJFSA-N 449.960 3.186 0 50 IGAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(C)cc2)cc(OC)c1OC 844561 LKQSNKKEJXQHMZ-HXUWFJFHSA-N 426.469 3.392 0 50 IGAA COc1ccc(CCNC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1OC 908883 UYLHEOOWSJMWNX-UHFFFAOYSA-N 447.582 3.080 0 50 IGAA COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 975957 ANHDXBDYYNEIEX-UHFFFAOYSA-N 432.420 3.127 0 50 IGAA Cc1cccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c1 1230681 ULGJPICRWTUZDM-UHFFFAOYSA-N 439.331 3.031 0 50 IGAA CCOC(=O)c1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 2695368 ZZCOKQQKZJBRTH-UHFFFAOYSA-N 443.550 3.059 0 50 IGAA O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 8687453 QBGIHOUIQZNXJX-ONQWYEKWSA-N 432.451 3.409 0 50 IGAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 10037831 WSHNBXYHWXGYOU-YRNVUSSQSA-N 432.498 3.106 0 50 IGAA CC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N2CCCC[C@@H]2CCO)c1 12333834 GOFHSPDSLGSERF-LJQANCHMSA-N 431.577 3.259 0 50 IGAA COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)cc1 14952226 JOUUTJAPTLROPK-HXUWFJFHSA-N 447.583 3.311 0 50 IGAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H](O)c2ccccc2)n1CCCc1ccccc1 19773491 PQYUCGZSZYMWSO-HSZRJFAPSA-N 441.597 3.475 0 50 IGAA COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCCOC(C)C)C4)c1 20271058 OSBRCJZHSGHIEI-QGZVFWFLSA-N 427.570 3.387 0 50 IGAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCCc1ccccc1 55042033 ZDTVZZBCEYZFQU-HXUWFJFHSA-N 433.474 3.145 0 50 IGAA Cc1ccn(-c2cc(N3CCN(C(=O)c4sc(-c5ccccc5)nc4C)CC3)ncn2)n1 72442442 NOMZDKIJKFVFMP-UHFFFAOYSA-N 445.552 3.365 0 50 IGAA O=C(Nc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1)N1CCCCCC1 170610557 ZWALRMWDTSYSKX-UHFFFAOYSA-N 427.477 3.357 0 50 IGAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3c(Cl)cccc3S(C)(=O)=O)C[C@H]21 230216118 MOLUFXUUTZOSTR-JJRVBVJISA-N 428.982 3.479 0 50 IGAA CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)c1nc2ccccc2n1C 252492755 MVDAQESDJUJWHH-QVKFZJNVSA-N 430.512 3.316 0 50 IGAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)c12 427989873 BMXJFXUFUCXANF-XSKPWXJUSA-N 427.504 3.437 0 50 IGAA O=C(NCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1Cc2cc(Br)ccc2O1 1875309256 BALFQJBDZNOXGZ-SNVBAGLBSA-N 436.146 3.115 0 50 IGAA COCCn1nc(Cc2ccncc2)nc1-c1cn(C2CC2)c(C)c(Br)c1=O 1875349176 PKLZQQJJZFGJPC-UHFFFAOYSA-N 444.333 3.145 0 50 IGAA